A1DMX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CR5 | OR8 | sing | 1.42Å | 1.43Å | |
| CR5 | CR4 | sing | 1.51Å | 1.49Å | |
| OP4 | P1 | doub | 1.48Å | 1.49Å | |
| N45 | C43 | sing | 1.33Å | 1.33Å | |
| CR4 | OR6 | sing | 1.44Å | 1.45Å | |
| CR4 | CR3 | sing | 1.53Å | 1.53Å | |
| OR6 | CR1 | sing | 1.43Å | 1.41Å | |
| CR3 | OP2 | sing | 1.42Å | 1.43Å | |
| CR3 | CR2 | sing | 1.54Å | 1.52Å | |
| C49 | C50 | sing | 1.52Å | 1.50Å | |
| C49 | C48 | sing | 1.54Å | 1.54Å | |
| CR1 | CR2 | sing | 1.53Å | 1.54Å | |
| CR1 | NB1 | sing | 1.46Å | 1.45Å | |
| C43 | O44 | doub | 1.24Å | 1.25Å | |
| C43 | C42 | sing | 1.52Å | 1.48Å | |
| P1 | OP2 | sing | 1.59Å | 1.61Å | |
| P1 | OP5 | sing | 1.52Å | 1.50Å | |
| P1 | OP3 | sing | 1.59Å | 1.60Å | |
| CPR3 | CPR2 | sing | 1.51Å | 1.51Å | |
| CB11 | CB6 | sing | 1.51Å | 1.52Å | |
| C50 | O51 | doub | 1.24Å | 1.24Å | |
| C50 | N52 | sing | 1.33Å | 1.32Å | |
| CR2 | OR7 | sing | 1.42Å | 1.41Å | |
| CB7 | CB6 | doub | 1.39Å | 1.40Å | Aromatic |
| CB7 | CB8 | sing | 1.39Å | 1.38Å | Aromatic |
| C47 | C12 | sing | 1.55Å | 1.53Å | |
| CPR2 | OP3 | sing | 1.46Å | 1.48Å | |
| CPR2 | CPR1 | sing | 1.52Å | 1.50Å | |
| C42 | C41 | sing | 1.54Å | 1.51Å | |
| CB6 | CB5 | sing | 1.43Å | 1.41Å | Aromatic |
| C48 | C13 | sing | 1.56Å | 1.55Å | |
| NB1 | CB8 | sing | 1.38Å | 1.37Å | Aromatic |
| NB1 | CB2 | sing | 1.36Å | 1.36Å | Aromatic |
| CB8 | CB9 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.56Å | 1.56Å | |
| C12 | C46 | sing | 1.55Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| CB5 | CB10 | sing | 1.52Å | 1.51Å | |
| CB5 | CB4 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| CB2 | NB3 | doub | 1.31Å | 1.33Å | Aromatic |
| CPR1 | N59 | sing | 1.46Å | 1.45Å | |
| C41 | C8 | sing | 1.56Å | 1.53Å | |
| CB9 | CB4 | sing | 1.39Å | 1.40Å | Aromatic |
| CB9 | NB3 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | |
| C10 | C9 | doub | 1.37Å | 1.39Å | |
| O58 | C57 | doub | 1.24Å | 1.23Å | |
| C11 | N23 | doub | 1.37Å | 1.34Å | |
| N59 | C57 | sing | 1.35Å | 1.30Å | |
| NB3 | CO1 | sing | 2.26Å | 2.07Å | |
| C57 | C56 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.52Å | 1.51Å | |
| C8 | C7 | sing | 1.57Å | 1.55Å | |
| C14 | N23 | sing | 1.38Å | 1.41Å | |
| C14 | C15 | doub | 1.42Å | 1.38Å | |
| C9 | N22 | sing | 1.35Å | 1.34Å | |
| N23 | CO1 | sing | 1.91Å | 1.93Å | |
| C56 | C55 | sing | 1.54Å | 1.50Å | |
| C53 | C15 | sing | 1.53Å | 1.53Å | |
| O39 | C38 | doub | 1.24Å | 1.25Å | |
| C15 | C16 | sing | 1.44Å | 1.44Å | |
| N22 | CO1 | sing | 1.91Å | 1.92Å | |
| N22 | C6 | doub | 1.39Å | 1.41Å | |
| CO1 | N24 | sing | 1.92Å | 1.90Å | |
| CO1 | N21 | sing | 1.92Å | 1.86Å | |
| CO1 | C1L | sing | 1.88Å | 1.89Å | |
| C7 | C36 | sing | 1.55Å | 1.52Å | |
| C7 | C6 | sing | 1.56Å | 1.54Å | |
| C7 | C37 | sing | 1.58Å | 1.56Å | |
| C16 | N24 | doub | 1.34Å | 1.32Å | |
| C16 | C17 | sing | 1.56Å | 1.55Å | |
| C38 | C37 | sing | 1.52Å | 1.52Å | |
| C38 | N40 | sing | 1.33Å | 1.33Å | |
| C55 | C17 | sing | 1.56Å | 1.54Å | |
| C6 | C5 | sing | 1.43Å | 1.38Å | |
| N24 | C19 | sing | 1.49Å | 1.47Å | |
| C20 | C1 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.58Å | 1.54Å | |
| C17 | C54 | sing | 1.56Å | 1.56Å | |
| N21 | C1 | sing | 1.49Å | 1.47Å | |
| N21 | C4 | sing | 1.33Å | 1.30Å | |
| O33 | C32 | doub | 1.24Å | 1.22Å | |
| C1L | C2L | trip | 1.35Å | 1.23Å | |
| C5 | C4 | doub | 1.42Å | 1.47Å | |
| C5 | C35 | sing | 1.53Å | 1.52Å | |
| O62 | C61 | doub | 1.24Å | 1.26Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| C18 | C60 | sing | 1.56Å | 1.54Å | |
| C1 | C19 | sing | 1.55Å | 1.54Å | |
| C1 | C2 | sing | 1.64Å | 1.58Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C30 | C3 | sing | 1.57Å | 1.56Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C32 | N34 | sing | 1.33Å | 1.35Å | |
| C32 | C31 | sing | 1.52Å | 1.53Å | |
| C2L | C01 | sing | 1.40Å | 1.55Å | |
| C61 | C60 | sing | 1.53Å | 1.51Å | |
| C61 | N63 | sing | 1.33Å | 1.34Å | |
| C3 | C2 | sing | 1.58Å | 1.55Å | |
| C05 | C07 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.55Å | 1.55Å | |
| C2 | C25 | sing | 1.55Å | 1.53Å | |
| C2 | C26 | sing | 1.58Å | 1.55Å | |
| N01 | C01 | sing | 1.36Å | 1.49Å | |
| N01 | C04 | sing | 1.46Å | 1.48Å | |
| C01 | O01 | doub | 1.23Å | 1.43Å | |
| C07 | C03 | sing | 1.51Å | 1.53Å | |
| C06 | C04 | sing | 1.53Å | 1.54Å | |
| C06 | C02 | sing | 1.55Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.52Å | 1.54Å | |
| C27 | N29 | sing | 1.33Å | 1.33Å | |
| C27 | O28 | doub | 1.24Å | 1.25Å | |
| C3 | H2 | sing | 0.98Å | 1.10Å | |
| CB2 | H3 | sing | 0.94Å | 1.08Å | |
| C02 | H4 | sing | 0.98Å | 1.10Å | |
| C02 | H5 | sing | 0.98Å | 1.10Å | |
| C03 | H6 | sing | 0.98Å | 1.10Å | |
| C03 | H7 | sing | 0.98Å | 1.10Å | |
| C04 | H8 | sing | 0.99Å | 1.10Å | |
| C04 | H9 | sing | 0.98Å | 1.10Å | |
| C05 | H10 | sing | 0.98Å | 1.10Å | |
| C05 | H11 | sing | 0.98Å | 1.10Å | |
| C06 | H12 | sing | 0.98Å | 1.10Å | |
| C07 | H13 | sing | 0.98Å | 1.10Å | |
| C07 | H14 | sing | 0.98Å | 1.10Å | |
| C10 | H15 | sing | 0.94Å | 1.08Å | |
| C13 | H16 | sing | 0.99Å | 1.10Å | |
| C18 | H18 | sing | 0.99Å | 1.10Å | |
| C19 | H19 | sing | 0.98Å | 1.10Å | |
| C20 | H20 | sing | 0.97Å | 1.10Å | |
| C20 | H21 | sing | 0.97Å | 1.10Å | |
| C20 | H22 | sing | 0.97Å | 1.10Å | |
| C25 | H23 | sing | 0.97Å | 1.10Å | |
| C25 | H24 | sing | 0.97Å | 1.10Å | |
| C25 | H25 | sing | 0.97Å | 1.10Å | |
| C26 | H26 | sing | 0.99Å | 1.10Å | |
| C26 | H27 | sing | 0.99Å | 1.10Å | |
| C30 | H28 | sing | 0.98Å | 1.10Å | |
| C30 | H29 | sing | 0.98Å | 1.10Å | |
| C31 | H30 | sing | 0.97Å | 1.10Å | |
| C31 | H31 | sing | 0.97Å | 1.10Å | |
| C35 | H32 | sing | 0.97Å | 1.10Å | |
| C35 | H33 | sing | 0.97Å | 1.10Å | |
| C35 | H34 | sing | 0.97Å | 1.10Å | |
| C36 | H35 | sing | 0.98Å | 1.10Å | |
| C36 | H36 | sing | 0.97Å | 1.10Å | |
| C36 | H37 | sing | 0.98Å | 1.10Å | |
| C37 | H38 | sing | 0.97Å | 1.10Å | |
| C37 | H39 | sing | 0.97Å | 1.10Å | |
| C41 | H40 | sing | 0.98Å | 1.10Å | |
| C41 | H41 | sing | 0.98Å | 1.10Å | |
| C42 | H42 | sing | 0.97Å | 1.10Å | |
| C42 | H43 | sing | 0.97Å | 1.10Å | |
| C46 | H44 | sing | 0.98Å | 1.10Å | |
| C46 | H45 | sing | 0.98Å | 1.10Å | |
| C46 | H46 | sing | 0.98Å | 1.10Å | |
| C47 | H47 | sing | 0.98Å | 1.10Å | |
| C47 | H48 | sing | 0.98Å | 1.10Å | |
| C47 | H49 | sing | 0.98Å | 1.10Å | |
| C48 | H50 | sing | 0.99Å | 1.10Å | |
| C48 | H51 | sing | 0.98Å | 1.10Å | |
| C49 | H52 | sing | 0.97Å | 1.10Å | |
| C49 | H53 | sing | 0.97Å | 1.10Å | |
| C53 | H54 | sing | 0.97Å | 1.10Å | |
| C53 | H55 | sing | 0.97Å | 1.10Å | |
| C53 | H56 | sing | 0.97Å | 1.10Å | |
| C54 | H57 | sing | 0.97Å | 1.10Å | |
| C54 | H58 | sing | 0.97Å | 1.10Å | |
| C54 | H59 | sing | 0.98Å | 1.10Å | |
| C55 | H60 | sing | 0.98Å | 1.10Å | |
| C55 | H61 | sing | 0.98Å | 1.10Å | |
| C56 | H62 | sing | 0.97Å | 1.10Å | |
| C56 | H63 | sing | 0.97Å | 1.10Å | |
| C60 | H64 | sing | 0.97Å | 1.10Å | |
| C60 | H65 | sing | 0.97Å | 1.10Å | |
| C8 | H66 | sing | 0.99Å | 1.10Å | |
| CB4 | H68 | sing | 0.94Å | 1.08Å | |
| CB7 | H69 | sing | 0.95Å | 1.08Å | |
| CR1 | H70 | sing | 0.99Å | 1.10Å | |
| CR2 | H71 | sing | 0.99Å | 1.10Å | |
| CR3 | H72 | sing | 0.99Å | 1.10Å | |
| CR4 | H73 | sing | 0.99Å | 1.10Å | |
| CR5 | H74 | sing | 0.98Å | 1.10Å | |
| CR5 | H75 | sing | 0.98Å | 1.10Å | |
| N01 | H76 | sing | 0.88Å | 1.00Å | |
| N29 | H77 | sing | 0.89Å | 1.00Å | |
| N29 | H78 | sing | 0.89Å | 1.00Å | |
| N34 | H79 | sing | 0.89Å | 1.00Å | |
| N34 | H80 | sing | 0.89Å | 1.00Å | |
| N40 | H81 | sing | 0.89Å | 1.00Å | |
| N40 | H82 | sing | 0.89Å | 1.00Å | |
| N45 | H83 | sing | 0.89Å | 1.00Å | |
| N45 | H84 | sing | 0.89Å | 1.00Å | |
| N52 | H85 | sing | 0.89Å | 1.00Å | |
| N52 | H86 | sing | 0.89Å | 1.00Å | |
| N59 | H87 | sing | 0.88Å | 1.00Å | |
| N63 | H88 | sing | 0.89Å | 1.00Å | |
| N63 | H89 | sing | 0.89Å | 1.00Å | |
| OP5 | H90 | sing | 0.89Å | 0.95Å | |
| OR7 | H91 | sing | 0.84Å | 0.95Å | |
| OR8 | H92 | sing | 0.85Å | 0.95Å | |
| CB10 | H93 | sing | 0.97Å | 1.10Å | |
| CB10 | H94 | sing | 0.97Å | 1.10Å | |
| CB10 | H95 | sing | 0.97Å | 1.10Å | |
| CB11 | H96 | sing | 0.97Å | 1.10Å | |
| CB11 | H97 | sing | 0.97Å | 1.10Å | |
| CB11 | H98 | sing | 0.97Å | 1.10Å | |
| CPR2 | H1 | sing | 0.99Å | 28.96Å | |
| CPR1 | H17 | sing | 0.99Å | 30.16Å | |
| CPR1 | H67 | sing | 0.99Å | 30.16Å | |
| CPR3 | H99 | sing | 0.97Å | 28.23Å | |
| CPR3 | H101 | sing | 0.97Å | 28.23Å | |
| CPR3 | H100 | sing | 0.97Å | 28.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OR8 | CR5 | CR4 | 109.1° | 111.6° |
| OR8 | CR5 | H74 | 109.6° | 109.1° |
| OR8 | CR5 | H75 | 109.6° | 109.0° |
| CR5 | OR8 | H92 | 109.5° | 109.0° |
| CR5 | CR4 | OR6 | 108.4° | 108.9° |
| CR5 | CR4 | CR3 | 117.1° | 116.0° |
| CR5 | CR4 | H73 | 107.7° | 108.6° |
| CR4 | CR5 | H74 | 109.6° | 109.4° |
| CR4 | CR5 | H75 | 109.6° | 109.6° |
| OP4 | P1 | OP2 | 107.1° | 113.9° |
| OP4 | P1 | OP5 | 121.9° | 111.9° |
| OP4 | P1 | OP3 | 105.1° | 113.2° |
| N45 | C43 | O44 | 124.8° | 122.1° |
| N45 | C43 | C42 | 117.8° | 118.2° |
| C43 | N45 | H83 | 120.0° | 119.2° |
| C43 | N45 | H84 | 120.0° | 121.7° |
| OR6 | CR4 | CR3 | 108.1° | 105.5° |
| CR4 | OR6 | CR1 | 109.5° | 111.1° |
| OR6 | CR4 | H73 | 108.1° | 108.7° |
| CR4 | CR3 | OP2 | 107.8° | 108.8° |
| CR4 | CR3 | CR2 | 104.0° | 103.7° |
| CR4 | CR3 | H72 | 110.2° | 111.8° |
| CR3 | CR4 | H73 | 107.1° | 108.9° |
| OR6 | CR1 | CR2 | 108.3° | 106.9° |
| OR6 | CR1 | NB1 | 111.8° | 109.1° |
| OR6 | CR1 | H70 | 109.6° | 108.4° |
| OP2 | CR3 | CR2 | 112.4° | 112.3° |
| CR3 | OP2 | P1 | 120.8° | 124.9° |
| OP2 | CR3 | H72 | 111.7° | 110.4° |
| CR3 | CR2 | CR1 | 103.3° | 102.2° |
| CR3 | CR2 | OR7 | 109.9° | 111.6° |
| CR3 | CR2 | H71 | 111.1° | 108.6° |
| CR2 | CR3 | H72 | 110.4° | 109.7° |
| C50 | C49 | C48 | 111.1° | 115.3° |
| C49 | C50 | O51 | 120.7° | 119.5° |
| C49 | C50 | N52 | 116.9° | 118.7° |
| C50 | C49 | H52 | 109.1° | 108.7° |
| C50 | C49 | H53 | 109.0° | 108.3° |
| C49 | C48 | C13 | 118.7° | 116.5° |
| C49 | C48 | H50 | 107.1° | 107.4° |
| C49 | C48 | H51 | 107.1° | 108.2° |
| C48 | C49 | H52 | 109.0° | 108.6° |
| C48 | C49 | H53 | 109.1° | 108.3° |
| CR2 | CR1 | NB1 | 110.2° | 114.4° |
| CR1 | CR2 | OR7 | 108.6° | 114.1° |
| CR2 | CR1 | H70 | 107.8° | 108.9° |
| CR1 | CR2 | H71 | 110.7° | 109.6° |
| CR1 | NB1 | CB8 | 122.8° | 126.3° |
| CR1 | NB1 | CB2 | 130.9° | 127.3° |
| NB1 | CR1 | H70 | 109.0° | 108.9° |
| O44 | C43 | C42 | 117.4° | 119.7° |
| C43 | C42 | C41 | 102.5° | 113.5° |
| C43 | C42 | H42 | 111.2° | 108.8° |
| C43 | C42 | H43 | 111.2° | 108.5° |
| OP2 | P1 | OP5 | 109.2° | 107.9° |
| OP2 | P1 | OP3 | 103.3° | 103.5° |
| OP5 | P1 | OP3 | 108.6° | 105.8° |
| P1 | OP5 | H90 | 109.5° | 113.2° |
| P1 | OP3 | CPR2 | 119.1° | 121.9° |
| CPR3 | CPR2 | OP3 | 114.1° | 108.6° |
| CPR3 | CPR2 | CPR1 | 112.2° | 114.9° |
| CPR3 | CPR2 | H1 | 59.7° | 109.2° |
| CPR2 | CPR3 | H99 | 117.7° | 109.6° |
| CPR2 | CPR3 | H101 | 117.7° | 109.4° |
| CPR2 | CPR3 | H100 | 117.7° | 109.6° |
| CB11 | CB6 | CB7 | 120.9° | 118.5° |
| CB11 | CB6 | CB5 | 119.0° | 121.6° |
| CB6 | CB11 | H96 | 109.5° | 110.0° |
| CB6 | CB11 | H97 | 109.4° | 110.2° |
| CB6 | CB11 | H98 | 109.5° | 109.8° |
| O51 | C50 | N52 | 122.4° | 121.8° |
| C50 | N52 | H85 | 120.0° | 119.2° |
| C50 | N52 | H86 | 120.0° | 121.9° |
| OR7 | CR2 | H71 | 112.8° | 110.4° |
| CR2 | OR7 | H91 | 109.5° | 110.6° |
| CB6 | CB7 | CB8 | 117.8° | 119.5° |
| CB7 | CB6 | CB5 | 120.1° | 119.9° |
| CB6 | CB7 | H69 | 121.1° | 119.8° |
| CB7 | CB8 | NB1 | 129.4° | 133.1° |
| CB7 | CB8 | CB9 | 123.4° | 120.9° |
| CB8 | CB7 | H69 | 121.1° | 120.7° |
| C47 | C12 | C13 | 119.0° | 116.3° |
| C47 | C12 | C46 | 108.9° | 108.3° |
| C47 | C12 | C11 | 114.4° | 113.5° |
| C12 | C47 | H47 | 109.5° | 110.0° |
| C12 | C47 | H48 | 109.5° | 109.6° |
| C12 | C47 | H49 | 109.5° | 109.8° |
| OP3 | CPR2 | CPR1 | 104.2° | 107.5° |
| OP3 | CPR2 | H1 | 112.7° | 109.8° |
| CPR2 | CPR1 | N59 | 108.8° | 113.7° |
| CPR1 | CPR2 | H1 | 142.2° | 106.7° |
| CPR2 | CPR1 | H17 | 36.1° | 109.1° |
| CPR2 | CPR1 | H67 | 36.1° | 108.9° |
| C42 | C41 | C8 | 115.2° | 115.9° |
| C42 | C41 | H40 | 108.0° | 107.7° |
| C42 | C41 | H41 | 108.0° | 107.5° |
| C41 | C42 | H42 | 111.2° | 108.8° |
| C41 | C42 | H43 | 111.2° | 109.1° |
| CB6 | CB5 | CB10 | 117.4° | 121.7° |
| CB6 | CB5 | CB4 | 120.4° | 119.8° |
| C48 | C13 | C12 | 117.6° | 123.7° |
| C48 | C13 | C14 | 111.1° | 107.8° |
| C48 | C13 | H16 | 108.4° | 106.7° |
| C13 | C48 | H50 | 107.1° | 108.5° |
| C13 | C48 | H51 | 107.1° | 109.3° |
| CB8 | NB1 | CB2 | 106.3° | 106.3° |
| NB1 | CB8 | CB9 | 107.2° | 106.0° |
| NB1 | CB2 | NB3 | 113.2° | 113.7° |
| NB1 | CB2 | H3 | 123.4° | 122.3° |
| CB8 | CB9 | CB4 | 118.6° | 119.9° |
| CB8 | CB9 | NB3 | 108.9° | 108.9° |
| C13 | C12 | C46 | 106.3° | 110.7° |
| C13 | C12 | C11 | 101.7° | 98.9° |
| C12 | C13 | C14 | 102.2° | 102.9° |
| C12 | C13 | H16 | 108.3° | 107.2° |
| C46 | C12 | C11 | 105.3° | 108.8° |
| C12 | C46 | H44 | 109.5° | 110.0° |
| C12 | C46 | H45 | 109.4° | 109.7° |
| C12 | C46 | H46 | 109.5° | 109.7° |
| C12 | C11 | C10 | 121.9° | 124.1° |
| C12 | C11 | N23 | 112.5° | 113.4° |
| CB10 | CB5 | CB4 | 122.2° | 118.5° |
| CB5 | CB10 | H93 | 109.5° | 110.2° |
| CB5 | CB10 | H94 | 109.5° | 109.9° |
| CB5 | CB10 | H95 | 109.4° | 109.8° |
| CB5 | CB4 | CB9 | 119.7° | 120.1° |
| CB5 | CB4 | H68 | 120.2° | 119.8° |
| C13 | C14 | N23 | 110.0° | 109.3° |
| C13 | C14 | C15 | 122.8° | 128.2° |
| C14 | C13 | H16 | 108.8° | 107.6° |
| CB2 | NB3 | CB9 | 104.5° | 105.0° |
| CB2 | NB3 | CO1 | 123.4° | 122.8° |
| NB3 | CB2 | H3 | 123.4° | 124.0° |
| CPR1 | N59 | C57 | 119.6° | 126.1° |
| CPR1 | N59 | H87 | 120.2° | 117.1° |
| N59 | CPR1 | H17 | 120.7° | 108.9° |
| N59 | CPR1 | H67 | 120.7° | 108.4° |
| C41 | C8 | C9 | 107.7° | 109.0° |
| C41 | C8 | C7 | 115.4° | 122.4° |
| C8 | C41 | H40 | 108.0° | 108.6° |
| C8 | C41 | H41 | 108.0° | 109.7° |
| C41 | C8 | H66 | 110.4° | 108.1° |
| CB4 | CB9 | NB3 | 132.5° | 131.2° |
| CB9 | CB4 | H68 | 120.2° | 120.1° |
| CB9 | NB3 | CO1 | 132.1° | 131.5° |
| C11 | C10 | C9 | 125.1° | 128.3° |
| C10 | C11 | N23 | 125.4° | 122.4° |
| C11 | C10 | H15 | 117.5° | 117.0° |
| C10 | C9 | C8 | 124.4° | 121.9° |
| C10 | C9 | N22 | 126.7° | 125.1° |
| C9 | C10 | H15 | 117.4° | 114.7° |
| O58 | C57 | N59 | 119.6° | 122.5° |
| O58 | C57 | C56 | 120.1° | 119.0° |
| C11 | N23 | C14 | 109.5° | 108.5° |
| C11 | N23 | CO1 | 122.4° | 123.4° |
| N59 | C57 | C56 | 120.3° | 118.5° |
| C57 | N59 | H87 | 120.2° | 116.8° |
| NB3 | CO1 | N23 | 90.3° | 87.5° |
| NB3 | CO1 | N22 | 90.1° | 87.4° |
| NB3 | CO1 | N24 | 94.3° | 98.9° |
| NB3 | CO1 | N21 | 97.4° | 92.8° |
| NB3 | CO1 | C1L | 174.9° | 172.5° |
| C57 | C56 | C55 | 104.7° | 112.8° |
| C57 | C56 | H62 | 110.7° | 109.2° |
| C57 | C56 | H63 | 110.6° | 108.5° |
| C9 | C8 | C7 | 102.0° | 99.1° |
| C8 | C9 | N22 | 108.9° | 113.0° |
| C9 | C8 | H66 | 110.7° | 106.7° |
| C8 | C7 | C36 | 110.4° | 113.5° |
| C8 | C7 | C6 | 98.4° | 102.8° |
| C8 | C7 | C37 | 109.1° | 106.5° |
| C7 | C8 | H66 | 110.2° | 110.3° |
| N23 | C14 | C15 | 127.0° | 122.4° |
| C14 | N23 | CO1 | 125.3° | 128.1° |
| C14 | C15 | C53 | 117.7° | 118.2° |
| C14 | C15 | C16 | 120.6° | 121.9° |
| C9 | N22 | CO1 | 121.3° | 121.3° |
| C9 | N22 | C6 | 109.6° | 109.2° |
| N23 | CO1 | N22 | 96.5° | 97.0° |
| N23 | CO1 | N24 | 89.6° | 89.1° |
| N23 | CO1 | N21 | 170.3° | 172.6° |
| N23 | CO1 | C1L | 87.7° | 88.5° |
| C56 | C55 | C17 | 113.8° | 118.9° |
| C56 | C55 | H60 | 108.4° | 106.8° |
| C56 | C55 | H61 | 108.4° | 107.4° |
| C55 | C56 | H62 | 110.6° | 109.4° |
| C55 | C56 | H63 | 110.7° | 109.3° |
| C53 | C15 | C16 | 120.0° | 119.8° |
| C15 | C53 | H54 | 109.5° | 110.9° |
| C15 | C53 | H55 | 109.5° | 109.6° |
| C15 | C53 | H56 | 109.4° | 109.6° |
| O39 | C38 | C37 | 120.5° | 119.3° |
| O39 | C38 | N40 | 120.3° | 121.2° |
| C15 | C16 | N24 | 122.1° | 118.9° |
| C15 | C16 | C17 | 127.6° | 130.6° |
| CO1 | N22 | C6 | 128.6° | 129.4° |
| N22 | CO1 | N24 | 172.5° | 171.5° |
| N22 | CO1 | N21 | 89.3° | 90.4° |
| N22 | CO1 | C1L | 85.4° | 86.8° |
| N22 | C6 | C7 | 109.1° | 109.2° |
| N22 | C6 | C5 | 122.3° | 119.1° |
| N24 | CO1 | N21 | 84.1° | 83.5° |
| N24 | CO1 | C1L | 90.5° | 87.4° |
| CO1 | N24 | C16 | 133.7° | 133.2° |
| CO1 | N24 | C19 | 112.9° | 112.2° |
| N21 | CO1 | C1L | 85.0° | 92.0° |
| CO1 | N21 | C1 | 115.1° | 118.7° |
| CO1 | N21 | C4 | 128.7° | 126.0° |
| CO1 | C1L | C2L | 169.7° | 170.4° |
| C36 | C7 | C6 | 120.9° | 112.5° |
| C36 | C7 | C37 | 109.1° | 110.4° |
| C7 | C36 | H35 | 109.5° | 110.0° |
| C7 | C36 | H36 | 109.4° | 110.0° |
| C7 | C36 | H37 | 109.4° | 109.8° |
| C6 | C7 | C37 | 108.3° | 110.9° |
| C7 | C6 | C5 | 127.4° | 131.7° |
| C7 | C37 | C38 | 114.8° | 120.3° |
| C7 | C37 | H38 | 108.1° | 108.1° |
| C7 | C37 | H39 | 108.1° | 107.6° |
| N24 | C16 | C17 | 110.3° | 110.4° |
| C16 | N24 | C19 | 110.9° | 110.8° |
| C16 | C17 | C55 | 119.3° | 116.0° |
| C16 | C17 | C18 | 99.1° | 99.9° |
| C16 | C17 | C54 | 110.7° | 109.7° |
| C37 | C38 | N40 | 119.1° | 119.5° |
| C38 | C37 | H38 | 108.1° | 107.2° |
| C38 | C37 | H39 | 108.1° | 106.9° |
| C38 | N40 | H81 | 120.0° | 120.0° |
| C38 | N40 | H82 | 120.0° | 120.7° |
| C55 | C17 | C18 | 106.7° | 110.2° |
| C55 | C17 | C54 | 109.2° | 108.3° |
| C17 | C55 | H60 | 108.4° | 108.3° |
| C17 | C55 | H61 | 108.4° | 108.4° |
| C6 | C5 | C4 | 120.8° | 121.6° |
| C6 | C5 | C35 | 121.5° | 120.6° |
| N24 | C19 | C18 | 99.6° | 99.6° |
| N24 | C19 | C1 | 105.0° | 112.6° |
| N24 | C19 | H19 | 111.5° | 107.5° |
| C20 | C1 | N21 | 110.6° | 105.9° |
| C20 | C1 | C19 | 107.4° | 108.8° |
| C20 | C1 | C2 | 117.2° | 117.1° |
| C1 | C20 | H20 | 109.5° | 110.4° |
| C1 | C20 | H21 | 109.5° | 110.6° |
| C1 | C20 | H22 | 109.5° | 110.2° |
| C18 | C17 | C54 | 111.3° | 112.7° |
| C17 | C18 | C19 | 103.5° | 103.1° |
| C17 | C18 | C60 | 114.6° | 119.5° |
| C17 | C18 | H18 | 106.7° | 106.3° |
| C17 | C54 | H57 | 109.5° | 110.2° |
| C17 | C54 | H58 | 109.5° | 110.4° |
| C17 | C54 | H59 | 109.4° | 110.0° |
| C1 | N21 | C4 | 113.8° | 114.2° |
| N21 | C1 | C19 | 103.7° | 100.4° |
| N21 | C1 | C2 | 99.2° | 101.9° |
| N21 | C4 | C5 | 123.7° | 125.2° |
| N21 | C4 | C3 | 109.8° | 109.1° |
| O33 | C32 | N34 | 124.3° | 121.8° |
| O33 | C32 | C31 | 121.3° | 119.6° |
| C1L | C2L | C01 | 166.9° | 176.7° |
| C4 | C5 | C35 | 116.1° | 117.8° |
| C5 | C4 | C3 | 118.3° | 125.6° |
| C5 | C35 | H32 | 109.5° | 110.6° |
| C5 | C35 | H33 | 109.5° | 109.6° |
| C5 | C35 | H34 | 109.5° | 109.6° |
| O62 | C61 | C60 | 125.0° | 121.0° |
| O62 | C61 | N63 | 123.9° | 121.1° |
| C19 | C18 | C60 | 117.7° | 117.0° |
| C18 | C19 | C1 | 119.0° | 123.6° |
| C19 | C18 | H18 | 106.9° | 103.3° |
| C18 | C19 | H19 | 110.6° | 106.1° |
| C18 | C60 | C61 | 114.6° | 117.3° |
| C60 | C18 | H18 | 106.7° | 106.0° |
| C18 | C60 | H64 | 108.2° | 108.5° |
| C18 | C60 | H65 | 108.2° | 109.2° |
| C19 | C1 | C2 | 117.5° | 120.0° |
| C1 | C19 | H19 | 110.4° | 106.5° |
| C1 | C2 | C3 | 103.6° | 99.4° |
| C1 | C2 | C25 | 113.1° | 114.7° |
| C1 | C2 | C26 | 112.2° | 115.1° |
| C4 | C3 | C30 | 111.9° | 110.5° |
| C4 | C3 | C2 | 97.0° | 102.7° |
| C4 | C3 | H2 | 109.0° | 106.2° |
| C3 | C30 | C31 | 111.4° | 116.4° |
| C30 | C3 | C2 | 121.5° | 123.0° |
| C30 | C3 | H2 | 108.3° | 106.6° |
| C3 | C30 | H28 | 109.0° | 109.3° |
| C3 | C30 | H29 | 109.0° | 108.4° |
| C30 | C31 | C32 | 114.9° | 113.8° |
| C31 | C30 | H28 | 109.0° | 108.1° |
| C31 | C30 | H29 | 109.0° | 107.5° |
| C30 | C31 | H30 | 108.1° | 108.7° |
| C30 | C31 | H31 | 108.1° | 109.1° |
| N34 | C32 | C31 | 114.3° | 118.6° |
| C32 | N34 | H79 | 120.0° | 119.2° |
| C32 | N34 | H80 | 120.0° | 121.9° |
| C32 | C31 | H30 | 108.1° | 108.7° |
| C32 | C31 | H31 | 108.1° | 108.8° |
| C2L | C01 | N01 | 128.8° | 116.1° |
| C2L | C01 | O01 | 108.0° | 118.8° |
| C60 | C61 | N63 | 111.1° | 117.8° |
| C61 | C60 | H64 | 108.2° | 108.2° |
| C61 | C60 | H65 | 108.1° | 106.7° |
| C61 | N63 | H88 | 120.0° | 119.9° |
| C61 | N63 | H89 | 120.0° | 121.0° |
| C3 | C2 | C25 | 115.1° | 114.0° |
| C3 | C2 | C26 | 103.2° | 107.2° |
| C2 | C3 | H2 | 108.4° | 106.9° |
| C07 | C05 | C06 | 107.4° | 106.0° |
| C05 | C07 | C03 | 106.9° | 107.5° |
| C07 | C05 | H10 | 110.0° | 110.3° |
| C07 | C05 | H11 | 110.0° | 110.6° |
| C05 | C07 | H13 | 110.1° | 110.4° |
| C05 | C07 | H14 | 110.1° | 110.4° |
| C05 | C06 | C04 | 112.7° | 115.9° |
| C05 | C06 | C02 | 104.8° | 102.4° |
| C06 | C05 | H10 | 110.0° | 110.9° |
| C06 | C05 | H11 | 110.0° | 110.5° |
| C05 | C06 | H12 | 110.5° | 107.5° |
| C25 | C2 | C26 | 109.3° | 106.3° |
| C2 | C25 | H23 | 109.5° | 109.8° |
| C2 | C25 | H24 | 109.5° | 110.7° |
| C2 | C25 | H25 | 109.5° | 110.0° |
| C2 | C26 | C27 | 115.8° | 119.8° |
| C2 | C26 | H26 | 107.8° | 108.3° |
| C2 | C26 | H27 | 107.9° | 107.9° |
| C01 | N01 | C04 | 115.5° | 123.8° |
| N01 | C01 | O01 | 123.1° | 125.1° |
| C01 | N01 | H76 | 122.3° | 117.5° |
| N01 | C04 | C06 | 112.2° | 114.3° |
| N01 | C04 | H8 | 108.8° | 108.7° |
| N01 | C04 | H9 | 108.8° | 108.2° |
| C04 | N01 | H76 | 122.2° | 118.7° |
| C07 | C03 | C02 | 103.8° | 106.2° |
| C07 | C03 | H6 | 110.9° | 110.4° |
| C07 | C03 | H7 | 110.9° | 110.5° |
| C03 | C07 | H13 | 110.1° | 110.3° |
| C03 | C07 | H14 | 110.1° | 110.2° |
| C04 | C06 | C02 | 107.4° | 115.4° |
| C06 | C04 | H8 | 108.8° | 109.2° |
| C06 | C04 | H9 | 108.8° | 109.1° |
| C04 | C06 | H12 | 110.7° | 107.7° |
| C06 | C02 | C03 | 106.3° | 104.8° |
| C06 | C02 | H4 | 110.3° | 111.1° |
| C06 | C02 | H5 | 110.3° | 110.7° |
| C02 | C06 | H12 | 110.6° | 107.4° |
| C26 | C27 | N29 | 115.9° | 119.7° |
| C26 | C27 | O28 | 122.4° | 119.4° |
| C27 | C26 | H26 | 107.9° | 107.4° |
| C27 | C26 | H27 | 107.8° | 106.4° |
| C03 | C02 | H4 | 110.3° | 110.7° |
| C03 | C02 | H5 | 110.2° | 110.8° |
| C02 | C03 | H6 | 110.9° | 110.6° |
| C02 | C03 | H7 | 110.9° | 110.7° |
| N29 | C27 | O28 | 121.7° | 120.8° |
| C27 | N29 | H77 | 120.0° | 119.9° |
| C27 | N29 | H78 | 120.0° | 120.6° |
| H4 | C02 | H5 | 109.5° | 108.8° |
| H6 | C03 | H7 | 109.5° | 108.4° |
| H8 | C04 | H9 | 109.5° | 107.2° |
| H10 | C05 | H11 | 109.5° | 108.5° |
| H13 | C07 | H14 | 109.5° | 108.1° |
| H20 | C20 | H21 | 109.4° | 108.3° |
| H20 | C20 | H22 | 109.5° | 109.2° |
| H21 | C20 | H22 | 109.5° | 108.2° |
| H23 | C25 | H24 | 109.5° | 109.0° |
| H23 | C25 | H25 | 109.4° | 109.0° |
| H24 | C25 | H25 | 109.5° | 108.4° |
| H26 | C26 | H27 | 109.5° | 106.3° |
| H28 | C30 | H29 | 109.5° | 106.8° |
| H30 | C31 | H31 | 109.5° | 107.7° |
| H32 | C35 | H33 | 109.4° | 108.6° |
| H32 | C35 | H34 | 109.5° | 109.1° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.5° | 108.4° |
| H35 | C36 | H37 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.1° |
| H38 | C37 | H39 | 109.5° | 105.9° |
| H40 | C41 | H41 | 109.5° | 107.1° |
| H42 | C42 | H43 | 109.5° | 107.9° |
| H44 | C46 | H45 | 109.5° | 109.2° |
| H44 | C46 | H46 | 109.4° | 109.3° |
| H45 | C46 | H46 | 109.5° | 108.9° |
| H47 | C47 | H48 | 109.5° | 108.7° |
| H47 | C47 | H49 | 109.5° | 109.3° |
| H48 | C47 | H49 | 109.5° | 109.4° |
| H50 | C48 | H51 | 109.5° | 106.5° |
| H52 | C49 | H53 | 109.5° | 107.4° |
| H54 | C53 | H55 | 109.4° | 109.1° |
| H54 | C53 | H56 | 109.5° | 108.2° |
| H55 | C53 | H56 | 109.5° | 109.5° |
| H57 | C54 | H58 | 109.5° | 108.0° |
| H57 | C54 | H59 | 109.5° | 108.9° |
| H58 | C54 | H59 | 109.5° | 109.2° |
| H60 | C55 | H61 | 109.5° | 106.4° |
| H62 | C56 | H63 | 109.5° | 107.5° |
| H64 | C60 | H65 | 109.5° | 106.5° |
| H74 | CR5 | H75 | 109.5° | 108.0° |
| H77 | N29 | H78 | 120.0° | 119.5° |
| H79 | N34 | H80 | 120.0° | 118.9° |
| H81 | N40 | H82 | 120.0° | 119.3° |
| H83 | N45 | H84 | 120.0° | 119.0° |
| H85 | N52 | H86 | 120.0° | 118.9° |
| H88 | N63 | H89 | 120.0° | 119.1° |
| H93 | CB10 | H94 | 109.4° | 108.5° |
| H93 | CB10 | H95 | 109.5° | 108.8° |
| H94 | CB10 | H95 | 109.5° | 109.6° |
| H96 | CB11 | H97 | 109.5° | 108.6° |
| H96 | CB11 | H98 | 109.5° | 109.5° |
| H97 | CB11 | H98 | 109.5° | 108.7° |
| H17 | CPR1 | H67 | 0.0° | 107.8° |
| H99 | CPR3 | H101 | 0.0° | 109.3° |
| H99 | CPR3 | H100 | 0.0° | 109.5° |
| H101 | CPR3 | H100 | 0.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OR8 | CR5 | CR4 | H74 | 120.0° | 120.8° |
| OR8 | CR5 | CR4 | H75 | 119.9° | 120.9° |
| OR8 | CR5 | CR4 | OR6 | 89.5° | 57.4° |
| OR8 | CR5 | CR4 | CR3 | 148.0° | 176.3° |
| OR8 | CR5 | CR4 | H73 | 27.3° | 60.8° |
| OR8 | CR5 | H74 | H75 | 120.2° | 118.4° |
| CR5 | CR4 | OR6 | CR3 | 127.8° | 125.2° |
| CR5 | CR4 | OR6 | H73 | 116.5° | 118.1° |
| CR5 | CR4 | CR3 | H73 | 121.0° | 122.8° |
| CR5 | CR4 | OR6 | CR1 | 132.0° | 134.1° |
| CR5 | CR4 | CR3 | OP2 | 98.7° | 93.7° |
| CR5 | CR4 | CR3 | CR2 | 141.8° | 146.5° |
| CR5 | CR4 | CR3 | H72 | 23.4° | 28.4° |
| CR4 | CR5 | H74 | H75 | 120.2° | 119.3° |
| CR4 | CR5 | OR8 | H92 | 180.0° | 179.9° |
| OP4 | P1 | OP2 | CR3 | 60.1° | 67.5° |
| OP4 | P1 | OP2 | OP5 | 133.9° | 124.8° |
| OP4 | P1 | OP2 | OP3 | 110.7° | 123.3° |
| OP4 | P1 | OP5 | OP3 | 122.2° | 123.7° |
| OP4 | P1 | OP3 | CPR2 | 61.4° | 58.8° |
| OP4 | P1 | OP5 | H90 | 0.0° | 179.9° |
| N45 | C43 | O44 | C42 | 177.9° | 179.9° |
| N45 | C43 | C42 | C41 | 140.2° | 85.5° |
| N45 | C43 | C42 | H42 | 21.3° | 153.2° |
| N45 | C43 | C42 | H43 | 100.9° | 36.0° |
| C43 | N45 | H83 | H84 | 180.0° | 180.0° |
| OR6 | CR4 | CR3 | H73 | 116.3° | 116.6° |
| OR6 | CR4 | CR3 | OP2 | 138.6° | 145.6° |
| OR6 | CR4 | CR3 | CR2 | 19.1° | 25.9° |
| CR4 | OR6 | CR1 | CR2 | 12.6° | 12.1° |
| CR4 | OR6 | CR1 | NB1 | 134.2° | 136.3° |
| CR4 | OR6 | CR1 | H70 | 104.8° | 105.2° |
| OR6 | CR4 | CR3 | H72 | 99.3° | 92.2° |
| OR6 | CR4 | CR5 | H74 | 30.5° | 178.3° |
| OR6 | CR4 | CR5 | H75 | 150.6° | 63.4° |
| CR3 | CR4 | OR6 | CR1 | 4.1° | 8.9° |
| CR4 | CR3 | OP2 | CR2 | 114.0° | 114.2° |
| CR4 | CR3 | OP2 | H72 | 121.3° | 123.0° |
| CR4 | CR3 | CR2 | H72 | 118.2° | 119.6° |
| CR4 | CR3 | CR2 | CR1 | 25.3° | 32.1° |
| CR4 | CR3 | OP2 | P1 | 144.2° | 145.3° |
| CR4 | CR3 | CR2 | OR7 | 90.5° | 90.3° |
| CR4 | CR3 | CR2 | H71 | 144.0° | 147.8° |
| CR3 | CR4 | CR5 | H74 | 92.0° | 62.9° |
| CR3 | CR4 | CR5 | H75 | 28.1° | 55.4° |
| OR6 | CR1 | CR2 | CR3 | 24.1° | 27.6° |
| OR6 | CR1 | CR2 | NB1 | 122.6° | 120.9° |
| OR6 | CR1 | CR2 | H70 | 118.5° | 116.9° |
| OR6 | CR1 | NB1 | H70 | 121.4° | 118.1° |
| OR6 | CR1 | CR2 | OR7 | 92.5° | 93.1° |
| OR6 | CR1 | NB1 | CB8 | 148.2° | 147.4° |
| OR6 | CR1 | NB1 | CB2 | 34.3° | 33.5° |
| OR6 | CR1 | CR2 | H71 | 143.1° | 142.6° |
| CR1 | OR6 | CR4 | H73 | 111.6° | 107.8° |
| OP2 | CR3 | CR2 | H72 | 125.4° | 123.2° |
| OP2 | CR3 | CR2 | CR1 | 141.6° | 149.3° |
| CR3 | OP2 | P1 | OP5 | 73.8° | 57.3° |
| CR3 | OP2 | P1 | OP3 | 170.8° | 169.1° |
| OP2 | CR3 | CR2 | OR7 | 25.9° | 27.0° |
| OP2 | CR3 | CR2 | H71 | 99.7° | 95.0° |
| OP2 | CR3 | CR4 | H73 | 22.3° | 29.0° |
| CR3 | CR2 | CR1 | OR7 | 116.6° | 120.6° |
| CR3 | CR2 | CR1 | H71 | 119.0° | 115.1° |
| CR3 | CR2 | CR1 | NB1 | 146.7° | 148.5° |
| CR2 | CR3 | OP2 | P1 | 101.7° | 100.6° |
| CR3 | CR2 | OR7 | H71 | 124.5° | 120.9° |
| CR3 | CR2 | CR1 | H70 | 94.4° | 89.3° |
| CR2 | CR3 | CR4 | H73 | 97.2° | 90.7° |
| CR3 | CR2 | OR7 | H91 | 180.0° | 165.8° |
| C50 | C49 | C48 | H52 | 120.2° | 122.2° |
| C50 | C49 | C48 | H53 | 120.2° | 121.4° |
| C49 | C50 | O51 | N52 | 179.6° | 179.9° |
| C50 | C49 | C48 | C13 | 25.0° | 69.3° |
| C50 | C49 | C48 | H50 | 146.2° | 168.9° |
| C50 | C49 | C48 | H51 | 96.4° | 54.2° |
| C50 | C49 | H52 | H53 | 119.2° | 116.9° |
| C49 | C50 | N52 | H85 | 179.6° | 179.7° |
| C49 | C50 | N52 | H86 | 0.5° | 0.5° |
| C48 | C49 | C50 | O51 | 83.5° | 86.1° |
| C48 | C49 | C50 | N52 | 96.0° | 94.0° |
| C49 | C48 | C13 | H50 | 121.3° | 121.2° |
| C49 | C48 | C13 | H51 | 121.3° | 123.0° |
| C49 | C48 | C13 | C12 | 84.5° | 110.1° |
| C49 | C48 | C13 | C14 | 158.2° | 130.2° |
| C49 | C48 | C13 | H16 | 38.8° | 14.8° |
| C49 | C48 | H50 | H51 | 115.8° | 115.8° |
| C48 | C49 | H52 | H53 | 119.3° | 116.9° |
| CR2 | CR1 | NB1 | H70 | 118.2° | 122.2° |
| CR1 | CR2 | OR7 | H71 | 123.2° | 123.9° |
| CR2 | CR1 | NB1 | CB8 | 91.3° | 92.9° |
| CR2 | CR1 | NB1 | CB2 | 86.1° | 86.2° |
| CR1 | CR2 | CR3 | H72 | 93.0° | 87.5° |
| CR1 | CR2 | OR7 | H91 | 67.7° | 79.0° |
| NB1 | CR1 | CR2 | OR7 | 30.0° | 27.8° |
| CR1 | NB1 | CB8 | CB7 | 2.0° | 0.8° |
| CR1 | NB1 | CB8 | CB2 | 178.0° | 179.3° |
| CR1 | NB1 | CB8 | CB9 | 178.7° | 179.6° |
| CR1 | NB1 | CB2 | NB3 | 178.7° | 179.1° |
| CR1 | NB1 | CB2 | H3 | 1.3° | 0.0° |
| NB1 | CR1 | CR2 | H71 | 94.3° | 96.5° |
| O44 | C43 | C42 | C41 | 37.9° | 94.6° |
| O44 | C43 | C42 | H42 | 156.8° | 26.7° |
| O44 | C43 | C42 | H43 | 81.0° | 143.9° |
| O44 | C43 | N45 | H83 | 0.0° | 0.0° |
| O44 | C43 | N45 | H84 | 180.0° | 180.0° |
| C43 | C42 | C41 | H42 | 118.9° | 121.3° |
| C43 | C42 | C41 | H43 | 118.9° | 121.2° |
| C43 | C42 | C41 | C8 | 176.0° | 165.0° |
| C43 | C42 | C41 | H40 | 55.1° | 43.2° |
| C43 | C42 | C41 | H41 | 63.2° | 71.9° |
| C43 | C42 | H42 | H43 | 123.2° | 117.6° |
| C42 | C43 | N45 | H83 | 177.9° | 179.9° |
| C42 | C43 | N45 | H84 | 2.1° | 0.1° |
| OP2 | P1 | OP5 | OP3 | 112.0° | 110.2° |
| OP2 | P1 | OP3 | CPR2 | 50.7° | 65.0° |
| P1 | OP2 | CR3 | H72 | 23.0° | 22.2° |
| OP2 | P1 | OP5 | H90 | 125.8° | 54.0° |
| OP5 | P1 | OP3 | CPR2 | 166.7° | 178.4° |
| P1 | OP3 | CPR2 | CPR3 | 108.9° | 96.2° |
| P1 | OP3 | CPR2 | CPR1 | 128.4° | 138.9° |
| OP3 | P1 | OP5 | H90 | 122.2° | 56.2° |
| P1 | OP3 | CPR2 | H1 | 43.2° | 23.2° |
| CPR3 | CPR2 | OP3 | CPR1 | 122.7° | 124.9° |
| CPR3 | CPR2 | OP3 | H1 | 65.6° | 119.4° |
| CPR3 | CPR2 | CPR1 | H1 | 68.7° | 121.2° |
| CPR3 | CPR2 | CPR1 | N59 | 174.6° | 179.7° |
| CPR3 | CPR2 | CPR1 | H17 | 68.7° | 58.6° |
| CPR3 | CPR2 | CPR1 | H67 | 68.7° | 58.8° |
| CPR2 | CPR3 | H99 | H101 | 90.0° | 119.9° |
| CPR2 | CPR3 | H99 | H100 | 90.0° | 120.3° |
| CPR2 | CPR3 | H101 | H100 | 90.0° | 120.1° |
| CB11 | CB6 | CB7 | CB5 | 178.7° | 179.3° |
| CB11 | CB6 | CB7 | CB8 | 179.4° | 179.8° |
| CB11 | CB6 | CB5 | CB10 | 0.8° | 0.6° |
| CB11 | CB6 | CB5 | CB4 | 179.0° | 179.9° |
| CB11 | CB6 | CB7 | H69 | 0.6° | 0.4° |
| CB6 | CB11 | H96 | H97 | 120.0° | 120.7° |
| CB6 | CB11 | H96 | H98 | 120.0° | 120.8° |
| CB6 | CB11 | H97 | H98 | 120.0° | 120.4° |
| O51 | C50 | C49 | H52 | 36.7° | 151.7° |
| O51 | C50 | C49 | H53 | 156.2° | 35.4° |
| O51 | C50 | N52 | H85 | 0.0° | 0.2° |
| O51 | C50 | N52 | H86 | 180.0° | 179.5° |
| N52 | C50 | C49 | H52 | 143.7° | 28.2° |
| N52 | C50 | C49 | H53 | 24.2° | 144.6° |
| C50 | N52 | H85 | H86 | 179.9° | 179.8° |
| OR7 | CR2 | CR1 | H70 | 149.0° | 150.0° |
| OR7 | CR2 | CR3 | H72 | 151.3° | 150.2° |
| CB6 | CB7 | CB8 | H69 | 180.0° | 179.7° |
| CB6 | CB7 | CB8 | NB1 | 179.2° | 179.8° |
| CB6 | CB7 | CB8 | CB9 | 0.1° | 0.6° |
| CB7 | CB6 | CB5 | CB10 | 179.5° | 179.8° |
| CB7 | CB6 | CB5 | CB4 | 0.3° | 0.6° |
| CB7 | CB6 | CB11 | H96 | 89.3° | 123.6° |
| CB7 | CB6 | CB11 | H97 | 150.7° | 3.9° |
| CB7 | CB6 | CB11 | H98 | 30.7° | 115.8° |
| CB8 | CB7 | CB6 | CB5 | 0.7° | 0.5° |
| CB7 | CB8 | NB1 | CB9 | 179.3° | 179.6° |
| CB7 | CB8 | NB1 | CB2 | 180.0° | 179.9° |
| CB7 | CB8 | CB9 | CB4 | 1.1° | 0.8° |
| CB7 | CB8 | CB9 | NB3 | 179.7° | 179.6° |
| C47 | C12 | C13 | C48 | 23.8° | 24.2° |
| C47 | C12 | C13 | C46 | 123.3° | 124.1° |
| C47 | C12 | C13 | C11 | 126.7° | 121.8° |
| C47 | C12 | C46 | C11 | 123.2° | 123.8° |
| C47 | C12 | C13 | C14 | 145.7° | 146.1° |
| C47 | C12 | C11 | C10 | 26.8° | 41.0° |
| C47 | C12 | C11 | N23 | 148.5° | 142.8° |
| C47 | C12 | C13 | H16 | 99.5° | 100.5° |
| C47 | C12 | C46 | H44 | 180.0° | 62.9° |
| C47 | C12 | C46 | H45 | 60.0° | 176.9° |
| C47 | C12 | C46 | H46 | 60.0° | 57.4° |
| C12 | C47 | H47 | H48 | 120.0° | 120.0° |
| C12 | C47 | H47 | H49 | 120.0° | 120.7° |
| C12 | C47 | H48 | H49 | 120.0° | 120.4° |
| OP3 | CPR2 | CPR1 | H1 | 167.4° | 117.8° |
| OP3 | CPR2 | CPR1 | N59 | 50.7° | 58.7° |
| OP3 | CPR2 | CPR1 | H17 | 167.4° | 179.6° |
| OP3 | CPR2 | CPR1 | H67 | 167.4° | 62.2° |
| OP3 | CPR2 | CPR3 | H99 | 103.2° | 179.6° |
| OP3 | CPR2 | CPR3 | H101 | 103.2° | 59.7° |
| OP3 | CPR2 | CPR3 | H100 | 103.2° | 60.2° |
| CPR2 | CPR1 | N59 | H17 | 37.7° | 121.8° |
| CPR2 | CPR1 | N59 | H67 | 37.7° | 121.2° |
| CPR2 | CPR1 | N59 | C57 | 106.2° | 89.9° |
| CPR2 | CPR1 | N59 | H87 | 73.8° | 90.8° |
| CPR2 | CPR1 | H17 | H67 | 90.0° | 118.1° |
| CPR1 | CPR2 | CPR3 | H99 | 138.6° | 60.0° |
| CPR1 | CPR2 | CPR3 | H101 | 138.6° | 179.9° |
| CPR1 | CPR2 | CPR3 | H100 | 138.6° | 60.2° |
| C42 | C41 | C8 | H40 | 120.9° | 121.4° |
| C42 | C41 | C8 | H41 | 120.8° | 121.9° |
| C42 | C41 | C8 | C9 | 65.5° | 99.9° |
| C42 | C41 | C8 | C7 | 178.7° | 145.5° |
| C42 | C41 | H40 | H41 | 117.4° | 115.4° |
| C41 | C42 | H42 | H43 | 123.2° | 118.2° |
| C42 | C41 | C8 | H66 | 55.5° | 15.8° |
| CB6 | CB5 | CB10 | CB4 | 179.8° | 179.6° |
| CB6 | CB5 | CB4 | CB9 | 0.9° | 0.8° |
| CB6 | CB5 | CB4 | H68 | 179.2° | 179.7° |
| CB5 | CB6 | CB7 | H69 | 179.2° | 179.8° |
| CB6 | CB5 | CB10 | H93 | 89.9° | 176.4° |
| CB6 | CB5 | CB10 | H94 | 150.1° | 56.9° |
| CB6 | CB5 | CB10 | H95 | 30.1° | 63.8° |
| CB5 | CB6 | CB11 | H96 | 89.4° | 57.1° |
| CB5 | CB6 | CB11 | H97 | 30.6° | 176.8° |
| CB5 | CB6 | CB11 | H98 | 150.6° | 63.5° |
| C48 | C13 | C12 | C14 | 122.0° | 122.0° |
| C48 | C13 | C12 | H16 | 123.3° | 124.7° |
| C48 | C13 | C12 | C46 | 147.1° | 148.3° |
| C48 | C13 | C12 | C11 | 103.0° | 97.6° |
| C48 | C13 | C14 | H16 | 119.3° | 114.8° |
| C48 | C13 | C14 | N23 | 111.2° | 107.1° |
| C48 | C13 | C14 | C15 | 63.2° | 75.0° |
| C13 | C48 | H50 | H51 | 115.8° | 117.6° |
| C13 | C48 | C49 | H52 | 95.3° | 52.9° |
| C13 | C48 | C49 | H53 | 145.2° | 169.2° |
| CB8 | NB1 | CB2 | NB3 | 0.9° | 0.2° |
| NB1 | CB8 | CB9 | CB4 | 179.5° | 179.5° |
| NB1 | CB8 | CB9 | NB3 | 0.3° | 0.7° |
| CB8 | NB1 | CB2 | H3 | 179.0° | 179.3° |
| NB1 | CB8 | CB7 | H69 | 0.8° | 0.1° |
| CB8 | NB1 | CR1 | H70 | 26.9° | 29.3° |
| CB2 | NB1 | CB8 | CB9 | 0.7° | 0.3° |
| NB1 | CB2 | NB3 | H3 | 180.0° | 179.1° |
| NB1 | CB2 | NB3 | CB9 | 0.7° | 0.6° |
| NB1 | CB2 | NB3 | CO1 | 179.2° | 171.3° |
| CB2 | NB1 | CR1 | H70 | 155.7° | 151.6° |
| CB8 | CB9 | CB4 | CB5 | 1.5° | 0.9° |
| CB8 | CB9 | NB3 | CB2 | 0.2° | 0.8° |
| CB8 | CB9 | CB4 | NB3 | 179.0° | 178.5° |
| CB8 | CB9 | NB3 | CO1 | 179.7° | 170.1° |
| CB8 | CB9 | CB4 | H68 | 178.5° | 179.6° |
| CB9 | CB8 | CB7 | H69 | 179.9° | 179.6° |
| C13 | C12 | C46 | C11 | 107.4° | 107.7° |
| C12 | C13 | C14 | H16 | 114.4° | 113.1° |
| C13 | C12 | C11 | C10 | 156.5° | 164.8° |
| C13 | C12 | C11 | N23 | 18.8° | 19.0° |
| C12 | C13 | C14 | N23 | 15.2° | 25.1° |
| C12 | C13 | C14 | C15 | 170.5° | 152.9° |
| C13 | C12 | C46 | H44 | 50.6° | 65.7° |
| C13 | C12 | C46 | H45 | 69.4° | 54.5° |
| C13 | C12 | C46 | H46 | 170.6° | 174.1° |
| C13 | C12 | C47 | H47 | 180.0° | 174.4° |
| C13 | C12 | C47 | H48 | 60.0° | 66.1° |
| C13 | C12 | C47 | H49 | 60.0° | 54.1° |
| C12 | C13 | C48 | H50 | 36.8° | 128.7° |
| C12 | C13 | C48 | H51 | 154.2° | 12.9° |
| C46 | C12 | C13 | C14 | 91.0° | 89.7° |
| C46 | C12 | C11 | C10 | 92.8° | 79.7° |
| C46 | C12 | C11 | N23 | 91.9° | 96.6° |
| C46 | C12 | C13 | H16 | 23.7° | 23.6° |
| C12 | C46 | H44 | H45 | 120.0° | 120.4° |
| C12 | C46 | H44 | H46 | 120.0° | 120.6° |
| C12 | C46 | H45 | H46 | 120.0° | 120.1° |
| C46 | C12 | C47 | H47 | 58.0° | 49.1° |
| C46 | C12 | C47 | H48 | 62.0° | 168.6° |
| C46 | C12 | C47 | H49 | 178.0° | 71.3° |
| C11 | C12 | C13 | C14 | 19.0° | 24.4° |
| C12 | C11 | C10 | N23 | 174.6° | 175.9° |
| C12 | C11 | C10 | C9 | 175.6° | 169.2° |
| C12 | C11 | N23 | C14 | 9.8° | 4.1° |
| C12 | C11 | N23 | CO1 | 171.4° | 178.0° |
| C12 | C11 | C10 | H15 | 4.4° | 9.1° |
| C11 | C12 | C13 | H16 | 133.7° | 137.7° |
| C11 | C12 | C46 | H44 | 56.8° | 173.3° |
| C11 | C12 | C46 | H45 | 176.8° | 53.2° |
| C11 | C12 | C46 | H46 | 63.1° | 66.4° |
| C11 | C12 | C47 | H47 | 59.5° | 71.9° |
| C11 | C12 | C47 | H48 | 179.5° | 47.6° |
| C11 | C12 | C47 | H49 | 60.5° | 167.8° |
| CB10 | CB5 | CB4 | CB9 | 179.4° | 179.6° |
| CB10 | CB5 | CB4 | H68 | 0.6° | 0.1° |
| CB5 | CB10 | H93 | H94 | 120.0° | 120.4° |
| CB5 | CB10 | H93 | H95 | 120.0° | 120.4° |
| CB5 | CB10 | H94 | H95 | 119.9° | 120.8° |
| CB5 | CB4 | CB9 | H68 | 180.0° | 179.5° |
| CB5 | CB4 | CB9 | NB3 | 179.5° | 179.4° |
| CB4 | CB5 | CB10 | H93 | 89.9° | 3.2° |
| CB4 | CB5 | CB10 | H94 | 30.1° | 122.7° |
| CB4 | CB5 | CB10 | H95 | 150.1° | 116.6° |
| C13 | C14 | N23 | C11 | 4.1° | 13.6° |
| C13 | C14 | N23 | C15 | 174.0° | 178.1° |
| C13 | C14 | N23 | CO1 | 156.9° | 164.2° |
| C13 | C14 | C15 | C53 | 29.3° | 23.7° |
| C13 | C14 | C15 | C16 | 165.6° | 152.3° |
| C14 | C13 | C48 | H50 | 80.4° | 9.0° |
| C14 | C13 | C48 | H51 | 36.9° | 106.8° |
| CB2 | NB3 | CB9 | CB4 | 178.8° | 179.4° |
| CB2 | NB3 | CB9 | CO1 | 179.9° | 170.9° |
| CB2 | NB3 | CO1 | N23 | 44.5° | 41.7° |
| CB2 | NB3 | CO1 | N22 | 141.0° | 138.8° |
| CB2 | NB3 | CO1 | N24 | 45.2° | 47.0° |
| CB2 | NB3 | CO1 | N21 | 129.7° | 130.8° |
| CB2 | NB3 | CO1 | C1L | 111.9° | 99.8° |
| CPR1 | N59 | C57 | O58 | 1.8° | 1.7° |
| CPR1 | N59 | C57 | H87 | 180.0° | 179.4° |
| CPR1 | N59 | C57 | C56 | 180.0° | 177.1° |
| N59 | CPR1 | CPR2 | H1 | 116.7° | 59.0° |
| N59 | CPR1 | H17 | H67 | 90.0° | 117.4° |
| C41 | C8 | C9 | C10 | 89.7° | 76.9° |
| C41 | C8 | C9 | C7 | 121.9° | 128.9° |
| C41 | C8 | C9 | H66 | 120.8° | 116.6° |
| C41 | C8 | C7 | H66 | 126.0° | 128.8° |
| C41 | C8 | C9 | N22 | 90.6° | 102.8° |
| C41 | C8 | C7 | C36 | 43.6° | 24.5° |
| C41 | C8 | C7 | C6 | 83.9° | 97.2° |
| C41 | C8 | C7 | C37 | 163.4° | 146.2° |
| C8 | C41 | H40 | H41 | 117.4° | 118.4° |
| C8 | C41 | C42 | H42 | 65.2° | 73.7° |
| C8 | C41 | C42 | H43 | 57.1° | 43.8° |
| CB4 | CB9 | NB3 | CO1 | 1.2° | 8.6° |
| CB9 | NB3 | CO1 | N23 | 135.4° | 148.8° |
| CB9 | NB3 | CO1 | N22 | 38.9° | 51.7° |
| CB9 | NB3 | CO1 | N24 | 135.0° | 122.5° |
| CB9 | NB3 | CO1 | N21 | 50.4° | 38.6° |
| CB9 | NB3 | CO1 | C1L | 68.0° | 90.7° |
| CB9 | NB3 | CB2 | H3 | 179.3° | 179.7° |
| NB3 | CB9 | CB4 | H68 | 0.5° | 1.1° |
| C11 | C10 | C9 | H15 | 180.0° | 178.4° |
| C11 | C10 | C9 | C8 | 172.0° | 178.9° |
| C10 | C11 | N23 | C14 | 165.2° | 179.6° |
| C11 | C10 | C9 | N22 | 7.6° | 0.7° |
| C10 | C11 | N23 | CO1 | 3.6° | 1.7° |
| C9 | C10 | C11 | N23 | 9.8° | 6.7° |
| C10 | C9 | C8 | N22 | 179.7° | 179.6° |
| C10 | C9 | C8 | C7 | 148.3° | 154.2° |
| C10 | C9 | N22 | CO1 | 7.5° | 14.8° |
| C10 | C9 | N22 | C6 | 164.9° | 161.8° |
| C10 | C9 | C8 | H66 | 31.1° | 39.7° |
| O58 | C57 | N59 | C56 | 178.2° | 178.9° |
| O58 | C57 | C56 | C55 | 69.9° | 84.4° |
| O58 | C57 | C56 | H62 | 49.4° | 153.7° |
| O58 | C57 | C56 | H63 | 170.9° | 36.9° |
| O58 | C57 | N59 | H87 | 178.2° | 177.6° |
| C11 | N23 | CO1 | NB3 | 76.7° | 75.8° |
| C11 | N23 | C14 | CO1 | 161.0° | 177.8° |
| C11 | N23 | C14 | C15 | 178.1° | 164.6° |
| C11 | N23 | CO1 | N22 | 13.5° | 11.3° |
| C11 | N23 | CO1 | N24 | 170.9° | 174.7° |
| C11 | N23 | CO1 | N21 | 140.0° | 168.0° |
| C11 | N23 | CO1 | C1L | 98.6° | 97.9° |
| N23 | C11 | C10 | H15 | 170.3° | 174.9° |
| N59 | C57 | C56 | C55 | 108.3° | 96.7° |
| N59 | C57 | C56 | H62 | 132.5° | 25.2° |
| N59 | C57 | C56 | H63 | 11.0° | 142.1° |
| C57 | N59 | CPR1 | H17 | 68.5° | 31.9° |
| C57 | N59 | CPR1 | H67 | 68.5° | 149.0° |
| NB3 | CO1 | N23 | C14 | 82.0° | 101.7° |
| NB3 | CO1 | N22 | C9 | 75.2° | 69.9° |
| NB3 | CO1 | N23 | N22 | 90.2° | 87.1° |
| NB3 | CO1 | N23 | N24 | 94.3° | 98.9° |
| NB3 | CO1 | N23 | N21 | 143.4° | 92.2° |
| NB3 | CO1 | N23 | C1L | 175.3° | 173.7° |
| NB3 | CO1 | N22 | N24 | 125.6° | 137.6° |
| NB3 | CO1 | N22 | N21 | 97.4° | 92.7° |
| NB3 | CO1 | N22 | C1L | 177.5° | 175.3° |
| NB3 | CO1 | N22 | C6 | 114.0° | 114.2° |
| NB3 | CO1 | N24 | N21 | 97.0° | 91.8° |
| NB3 | CO1 | N24 | C1L | 178.0° | 175.9° |
| NB3 | CO1 | N21 | C1L | 175.5° | 174.2° |
| NB3 | CO1 | N24 | C16 | 87.7° | 104.3° |
| NB3 | CO1 | N24 | C19 | 112.1° | 100.2° |
| NB3 | CO1 | N21 | C1 | 79.8° | 83.4° |
| NB3 | CO1 | N21 | C4 | 119.3° | 109.6° |
| NB3 | CO1 | C1L | C2L | 39.3° | 38.6° |
| CO1 | NB3 | CB2 | H3 | 0.8° | 7.8° |
| C57 | C56 | C55 | H62 | 119.3° | 121.8° |
| C57 | C56 | C55 | H63 | 119.2° | 120.8° |
| C57 | C56 | C55 | C17 | 158.3° | 174.2° |
| C57 | C56 | C55 | H60 | 81.0° | 51.4° |
| C57 | C56 | C55 | H61 | 37.7° | 62.4° |
| C57 | C56 | H62 | H63 | 122.2° | 117.5° |
| C56 | C57 | N59 | H87 | 0.0° | 3.5° |
| C9 | C8 | C7 | H66 | 117.6° | 111.7° |
| C8 | C9 | N22 | CO1 | 172.8° | 164.8° |
| C8 | C9 | N22 | C6 | 14.8° | 18.5° |
| C9 | C8 | C7 | C36 | 160.0° | 144.0° |
| C9 | C8 | C7 | C6 | 32.6° | 22.3° |
| C9 | C8 | C7 | C37 | 80.1° | 94.3° |
| C8 | C9 | C10 | H15 | 8.0° | 2.7° |
| C9 | C8 | C41 | H40 | 173.6° | 21.4° |
| C9 | C8 | C41 | H41 | 55.3° | 138.1° |
| C7 | C8 | C9 | N22 | 31.3° | 26.2° |
| C8 | C7 | C6 | N22 | 26.4° | 14.4° |
| C8 | C7 | C36 | C6 | 113.7° | 116.1° |
| C8 | C7 | C36 | C37 | 119.8° | 119.5° |
| C8 | C7 | C6 | C37 | 113.4° | 113.5° |
| C8 | C7 | C37 | C38 | 61.5° | 73.9° |
| C8 | C7 | C6 | C5 | 166.1° | 164.2° |
| C8 | C7 | C36 | H35 | 180.0° | 48.1° |
| C8 | C7 | C36 | H36 | 60.0° | 167.5° |
| C8 | C7 | C36 | H37 | 60.0° | 72.4° |
| C8 | C7 | C37 | H38 | 177.8° | 49.6° |
| C8 | C7 | C37 | H39 | 59.3° | 163.5° |
| C7 | C8 | C41 | H40 | 60.5° | 93.2° |
| C7 | C8 | C41 | H41 | 57.8° | 23.5° |
| N23 | C14 | C15 | C53 | 157.4° | 154.0° |
| N23 | C14 | C15 | C16 | 7.8° | 29.9° |
| C14 | N23 | CO1 | N22 | 172.2° | 171.2° |
| C14 | N23 | CO1 | N24 | 12.3° | 2.8° |
| C14 | N23 | CO1 | N21 | 61.4° | 9.5° |
| C14 | N23 | CO1 | C1L | 102.7° | 84.6° |
| N23 | C14 | C13 | H16 | 129.6° | 138.2° |
| C15 | C14 | N23 | CO1 | 17.1° | 17.7° |
| C14 | C15 | C53 | C16 | 165.3° | 176.1° |
| C14 | C15 | C16 | N24 | 3.4° | 16.3° |
| C14 | C15 | C16 | C17 | 174.6° | 158.5° |
| C15 | C14 | C13 | H16 | 56.1° | 39.8° |
| C14 | C15 | C53 | H54 | 180.0° | 13.7° |
| C14 | C15 | C53 | H55 | 60.0° | 106.8° |
| C14 | C15 | C53 | H56 | 60.0° | 133.0° |
| C9 | N22 | CO1 | N23 | 15.1° | 17.3° |
| C9 | N22 | CO1 | C6 | 170.8° | 175.9° |
| C9 | N22 | CO1 | N24 | 159.2° | 152.5° |
| C9 | N22 | CO1 | N21 | 172.6° | 162.6° |
| C9 | N22 | CO1 | C1L | 102.3° | 105.4° |
| C9 | N22 | C6 | C7 | 8.4° | 1.6° |
| C9 | N22 | C6 | C5 | 176.7° | 179.6° |
| N22 | C9 | C10 | H15 | 172.4° | 177.7° |
| N22 | C9 | C8 | H66 | 148.6° | 140.6° |
| N23 | CO1 | N22 | N24 | 144.0° | 135.2° |
| N23 | CO1 | N22 | N21 | 172.2° | 179.9° |
| N23 | CO1 | N22 | C1L | 87.2° | 88.1° |
| N23 | CO1 | N22 | C6 | 155.7° | 158.6° |
| N23 | CO1 | N24 | N21 | 172.7° | 179.1° |
| N23 | CO1 | N24 | C1L | 87.7° | 88.6° |
| N23 | CO1 | N21 | C1L | 41.5° | 93.9° |
| N23 | CO1 | N24 | C16 | 2.5° | 17.0° |
| N23 | CO1 | N24 | C19 | 157.6° | 172.4° |
| N23 | CO1 | N21 | C1 | 63.2° | 8.5° |
| N23 | CO1 | N21 | C4 | 97.7° | 158.5° |
| N23 | CO1 | C1L | C2L | 106.9° | 96.6° |
| C56 | C55 | C17 | C16 | 33.0° | 39.4° |
| C56 | C55 | C17 | H60 | 120.6° | 122.0° |
| C56 | C55 | C17 | H61 | 120.6° | 122.9° |
| C56 | C55 | C17 | C18 | 78.0° | 73.2° |
| C56 | C55 | C17 | C54 | 161.6° | 163.1° |
| C56 | C55 | H60 | H61 | 118.0° | 114.4° |
| C55 | C56 | H62 | H63 | 122.2° | 118.6° |
| C53 | C15 | C16 | N24 | 168.2° | 167.7° |
| C53 | C15 | C16 | C17 | 9.8° | 17.5° |
| C15 | C53 | H54 | H55 | 120.0° | 120.8° |
| C15 | C53 | H54 | H56 | 120.0° | 120.2° |
| C15 | C53 | H55 | H56 | 120.0° | 120.2° |
| O39 | C38 | C37 | C7 | 64.9° | 87.3° |
| O39 | C38 | C37 | N40 | 178.0° | 178.3° |
| O39 | C38 | C37 | H38 | 174.3° | 36.7° |
| O39 | C38 | C37 | H39 | 55.8° | 149.8° |
| O39 | C38 | N40 | H81 | 0.0° | 0.5° |
| O39 | C38 | N40 | H82 | 180.0° | 179.0° |
| C15 | C16 | N24 | CO1 | 4.5° | 9.8° |
| C15 | C16 | N24 | C17 | 178.3° | 175.8° |
| C15 | C16 | C17 | C55 | 54.0° | 49.4° |
| C15 | C16 | N24 | C19 | 164.9° | 165.5° |
| C15 | C16 | C17 | C18 | 169.1° | 167.8° |
| C15 | C16 | C17 | C54 | 73.9° | 73.7° |
| C16 | C15 | C53 | H54 | 14.8° | 170.2° |
| C16 | C15 | C53 | H55 | 134.7° | 69.3° |
| C16 | C15 | C53 | H56 | 105.2° | 50.9° |
| N22 | CO1 | N24 | N21 | 28.4° | 45.2° |
| N22 | CO1 | N24 | C1L | 56.6° | 47.0° |
| N22 | CO1 | N21 | C1L | 85.4° | 86.8° |
| CO1 | N22 | C6 | C7 | 163.3° | 177.9° |
| N22 | CO1 | N24 | C16 | 146.9° | 118.6° |
| CO1 | N22 | C6 | C5 | 5.0° | 3.3° |
| N22 | CO1 | N24 | C19 | 13.3° | 36.8° |
| N22 | CO1 | N21 | C1 | 169.8° | 170.8° |
| N22 | CO1 | N21 | C4 | 29.2° | 22.2° |
| N22 | CO1 | C1L | C2L | 10.1° | 0.5° |
| C6 | N22 | CO1 | N24 | 11.6° | 23.4° |
| C6 | N22 | CO1 | N21 | 16.6° | 21.5° |
| C6 | N22 | CO1 | C1L | 68.5° | 70.5° |
| N22 | C6 | C7 | C36 | 146.2° | 136.8° |
| N22 | C6 | C7 | C5 | 167.6° | 178.6° |
| N22 | C6 | C7 | C37 | 87.0° | 99.1° |
| N22 | C6 | C5 | C4 | 3.1° | 23.0° |
| N22 | C6 | C5 | C35 | 162.0° | 159.7° |
| N24 | CO1 | N21 | C1L | 91.0° | 87.1° |
| CO1 | N24 | C16 | C19 | 160.4° | 155.7° |
| CO1 | N24 | C16 | C17 | 173.8° | 174.5° |
| N24 | CO1 | N21 | C1 | 13.7° | 15.2° |
| N24 | CO1 | N21 | C4 | 147.2° | 151.7° |
| N24 | CO1 | C1L | C2L | 163.6° | 174.3° |
| CO1 | N24 | C19 | C18 | 161.6° | 162.2° |
| CO1 | N24 | C19 | C1 | 37.9° | 29.5° |
| CO1 | N24 | C19 | H19 | 81.6° | 87.4° |
| N21 | CO1 | N24 | C16 | 175.2° | 163.9° |
| N21 | CO1 | N24 | C19 | 15.1° | 8.4° |
| CO1 | N21 | C1 | C20 | 78.3° | 81.4° |
| CO1 | N21 | C1 | C4 | 163.8° | 168.5° |
| N21 | CO1 | C1L | C2L | 79.5° | 90.8° |
| CO1 | N21 | C4 | C5 | 30.5° | 5.4° |
| CO1 | N21 | C1 | C19 | 36.6° | 31.8° |
| CO1 | N21 | C1 | C2 | 158.0° | 155.7° |
| CO1 | N21 | C4 | C3 | 178.1° | 177.7° |
| C1L | CO1 | N24 | C16 | 90.3° | 71.6° |
| C1L | CO1 | N24 | C19 | 69.9° | 83.9° |
| C1L | CO1 | N21 | C1 | 104.7° | 102.4° |
| C1L | CO1 | N21 | C4 | 56.2° | 64.6° |
| CO1 | C1L | C2L | C01 | 14.5° | 6.3° |
| C36 | C7 | C6 | C37 | 126.8° | 124.1° |
| C36 | C7 | C37 | C38 | 59.1° | 49.7° |
| C36 | C7 | C6 | C5 | 46.2° | 41.8° |
| C7 | C36 | H35 | H36 | 120.0° | 120.4° |
| C7 | C36 | H35 | H37 | 120.0° | 120.7° |
| C7 | C36 | H36 | H37 | 120.0° | 120.5° |
| C36 | C7 | C37 | H38 | 61.6° | 173.2° |
| C36 | C7 | C37 | H39 | 179.9° | 72.8° |
| C36 | C7 | C8 | H66 | 82.4° | 104.3° |
| C6 | C7 | C37 | C38 | 167.5° | 175.0° |
| C7 | C6 | C5 | C4 | 169.1° | 155.5° |
| C7 | C6 | C5 | C35 | 4.1° | 21.8° |
| C6 | C7 | C36 | H35 | 66.3° | 164.3° |
| C6 | C7 | C36 | H36 | 173.7° | 76.4° |
| C6 | C7 | C36 | H37 | 53.7° | 43.7° |
| C6 | C7 | C37 | H38 | 71.7° | 61.5° |
| C6 | C7 | C37 | H39 | 46.7° | 52.5° |
| C6 | C7 | C8 | H66 | 150.2° | 134.0° |
| C7 | C37 | C38 | H38 | 120.8° | 123.9° |
| C7 | C37 | C38 | H39 | 120.8° | 122.9° |
| C7 | C37 | C38 | N40 | 117.0° | 94.5° |
| C37 | C7 | C6 | C5 | 80.5° | 82.3° |
| C37 | C7 | C36 | H35 | 60.2° | 71.4° |
| C37 | C7 | C36 | H36 | 59.8° | 48.0° |
| C37 | C7 | C36 | H37 | 179.8° | 168.1° |
| C7 | C37 | H38 | H39 | 117.6° | 115.1° |
| C37 | C7 | C8 | H66 | 37.4° | 17.4° |
| N24 | C16 | C17 | C55 | 127.9° | 125.8° |
| N24 | C16 | C17 | C18 | 12.8° | 7.4° |
| N24 | C16 | C17 | C54 | 104.2° | 111.2° |
| C16 | N24 | C19 | C18 | 33.7° | 36.7° |
| C16 | N24 | C19 | C1 | 157.3° | 169.4° |
| C16 | N24 | C19 | H19 | 83.1° | 73.6° |
| C16 | C17 | C55 | C18 | 111.0° | 112.6° |
| C16 | C17 | C55 | C54 | 128.6° | 123.7° |
| C17 | C16 | N24 | C19 | 13.4° | 18.8° |
| C16 | C17 | C18 | C54 | 116.5° | 116.3° |
| C16 | C17 | C18 | C19 | 32.4° | 28.7° |
| C16 | C17 | C18 | C60 | 161.9° | 160.7° |
| C16 | C17 | C18 | H18 | 80.2° | 79.6° |
| C16 | C17 | C54 | H57 | 180.0° | 67.0° |
| C16 | C17 | C54 | H58 | 60.0° | 173.7° |
| C16 | C17 | C54 | H59 | 60.0° | 53.1° |
| C16 | C17 | C55 | H60 | 153.6° | 82.6° |
| C16 | C17 | C55 | H61 | 87.7° | 162.3° |
| C38 | C37 | H38 | H39 | 117.6° | 113.8° |
| C37 | C38 | N40 | H81 | 178.0° | 177.8° |
| C37 | C38 | N40 | H82 | 2.0° | 2.7° |
| N40 | C38 | C37 | H38 | 3.7° | 141.6° |
| N40 | C38 | C37 | H39 | 122.2° | 28.5° |
| C38 | N40 | H81 | H82 | 180.0° | 179.5° |
| C55 | C17 | C18 | C54 | 119.0° | 121.1° |
| C55 | C17 | C18 | C19 | 156.9° | 151.3° |
| C55 | C17 | C18 | C60 | 73.6° | 76.8° |
| C55 | C17 | C18 | H18 | 44.3° | 43.0° |
| C55 | C17 | C54 | H57 | 46.7° | 60.4° |
| C55 | C17 | C54 | H58 | 73.3° | 58.8° |
| C55 | C17 | C54 | H59 | 166.7° | 179.4° |
| C17 | C55 | H60 | H61 | 118.0° | 116.4° |
| C17 | C55 | C56 | H62 | 39.1° | 64.1° |
| C17 | C55 | C56 | H63 | 82.4° | 53.4° |
| C6 | C5 | C4 | N21 | 9.1° | 22.5° |
| C6 | C5 | C4 | C35 | 165.8° | 177.4° |
| C6 | C5 | C4 | C3 | 154.2° | 153.9° |
| C6 | C5 | C35 | H32 | 180.0° | 17.0° |
| C6 | C5 | C35 | H33 | 60.0° | 136.7° |
| C6 | C5 | C35 | H34 | 60.0° | 103.2° |
| N24 | C19 | C1 | C20 | 72.0° | 74.0° |
| N24 | C19 | C18 | C17 | 40.1° | 38.8° |
| N24 | C19 | C1 | N21 | 45.2° | 36.9° |
| N24 | C19 | C18 | C1 | 113.2° | 125.5° |
| N24 | C19 | C18 | H19 | 117.4° | 111.5° |
| N24 | C19 | C18 | C60 | 167.8° | 172.2° |
| N24 | C19 | C1 | H19 | 120.3° | 117.6° |
| N24 | C19 | C1 | C2 | 153.4° | 147.3° |
| N24 | C19 | C18 | H18 | 72.4° | 71.7° |
| C20 | C1 | N21 | C19 | 114.9° | 113.2° |
| C20 | C1 | N21 | C2 | 123.8° | 122.9° |
| C20 | C1 | N21 | C4 | 117.9° | 110.2° |
| C20 | C1 | C19 | C18 | 38.2° | 45.6° |
| C20 | C1 | C19 | C2 | 134.6° | 138.7° |
| C20 | C1 | C2 | C3 | 90.3° | 86.3° |
| C20 | C1 | C2 | C25 | 35.0° | 35.8° |
| C20 | C1 | C2 | C26 | 159.1° | 159.6° |
| C20 | C1 | C19 | H19 | 167.7° | 168.5° |
| C1 | C20 | H20 | H21 | 120.0° | 121.2° |
| C1 | C20 | H20 | H22 | 120.0° | 121.2° |
| C1 | C20 | H21 | H22 | 120.0° | 120.7° |
| C17 | C18 | C19 | C60 | 127.6° | 133.4° |
| C17 | C18 | C19 | H18 | 112.5° | 110.6° |
| C17 | C18 | C60 | H18 | 117.9° | 119.9° |
| C17 | C18 | C19 | C1 | 153.3° | 164.3° |
| C17 | C18 | C60 | C61 | 119.0° | 121.6° |
| C17 | C18 | C19 | H19 | 77.3° | 72.6° |
| C18 | C17 | C54 | H57 | 70.8° | 177.4° |
| C18 | C17 | C54 | H58 | 169.2° | 63.3° |
| C18 | C17 | C54 | H59 | 49.2° | 57.3° |
| C18 | C17 | C55 | H60 | 42.6° | 164.8° |
| C18 | C17 | C55 | H61 | 161.4° | 49.8° |
| C17 | C18 | C60 | H64 | 1.7° | 115.5° |
| C17 | C18 | C60 | H65 | 120.2° | 0.2° |
| C54 | C17 | C18 | C19 | 84.1° | 87.6° |
| C54 | C17 | C18 | C60 | 45.4° | 44.3° |
| C54 | C17 | C18 | H18 | 163.3° | 164.1° |
| C17 | C54 | H57 | H58 | 120.0° | 120.7° |
| C17 | C54 | H57 | H59 | 120.0° | 120.8° |
| C17 | C54 | H58 | H59 | 120.0° | 121.1° |
| C54 | C17 | C55 | H60 | 77.8° | 41.1° |
| C54 | C17 | C55 | H61 | 41.0° | 73.9° |
| C1 | N21 | C4 | C5 | 168.4° | 172.9° |
| N21 | C1 | C19 | C18 | 155.4° | 156.5° |
| N21 | C1 | C19 | C2 | 108.2° | 110.4° |
| C1 | N21 | C4 | C3 | 20.8° | 10.2° |
| N21 | C1 | C2 | C3 | 28.7° | 28.7° |
| N21 | C1 | C2 | C25 | 154.0° | 150.7° |
| N21 | C1 | C2 | C26 | 81.9° | 85.4° |
| N21 | C1 | C19 | H19 | 75.1° | 80.6° |
| N21 | C1 | C20 | H20 | 180.0° | 175.1° |
| N21 | C1 | C20 | H21 | 60.0° | 65.2° |
| N21 | C1 | C20 | H22 | 60.0° | 54.4° |
| N21 | C4 | C5 | C3 | 145.1° | 176.4° |
| N21 | C4 | C5 | C35 | 174.9° | 160.1° |
| C4 | N21 | C1 | C19 | 127.2° | 136.7° |
| C4 | N21 | C1 | C2 | 5.9° | 12.8° |
| N21 | C4 | C3 | C30 | 90.8° | 103.3° |
| N21 | C4 | C3 | C2 | 37.3° | 29.6° |
| N21 | C4 | C3 | H2 | 149.5° | 141.6° |
| O33 | C32 | C31 | C30 | 29.2° | 86.2° |
| O33 | C32 | N34 | C31 | 179.9° | 179.7° |
| O33 | C32 | C31 | H30 | 150.0° | 35.0° |
| O33 | C32 | C31 | H31 | 91.6° | 152.0° |
| O33 | C32 | N34 | H79 | 0.0° | 0.1° |
| O33 | C32 | N34 | H80 | 180.0° | 179.6° |
| C1L | C2L | C01 | N01 | 62.7° | 23.1° |
| C1L | C2L | C01 | O01 | 114.4° | 156.9° |
| C5 | C4 | C3 | C30 | 58.8° | 73.6° |
| C5 | C4 | C3 | C2 | 173.1° | 153.5° |
| C5 | C4 | C3 | H2 | 60.9° | 41.5° |
| C4 | C5 | C35 | H32 | 14.3° | 165.6° |
| C4 | C5 | C35 | H33 | 105.7° | 45.9° |
| C4 | C5 | C35 | H34 | 134.3° | 74.2° |
| C35 | C5 | C4 | C3 | 40.0° | 23.5° |
| C5 | C35 | H32 | H33 | 120.0° | 120.3° |
| C5 | C35 | H32 | H34 | 120.0° | 120.5° |
| C5 | C35 | H33 | H34 | 120.0° | 120.1° |
| O62 | C61 | C60 | C18 | 16.5° | 37.0° |
| O62 | C61 | C60 | N63 | 179.9° | 177.7° |
| O62 | C61 | C60 | H64 | 104.3° | 160.1° |
| O62 | C61 | C60 | H65 | 137.3° | 85.7° |
| O62 | C61 | N63 | H88 | 0.0° | 1.9° |
| O62 | C61 | N63 | H89 | 180.0° | 176.4° |
| C19 | C18 | C60 | H18 | 120.0° | 114.5° |
| C18 | C19 | C1 | H19 | 129.5° | 122.9° |
| C18 | C19 | C1 | C2 | 96.4° | 93.1° |
| C19 | C18 | C60 | C61 | 118.8° | 112.8° |
| C19 | C18 | C60 | H64 | 120.4° | 10.1° |
| C19 | C18 | C60 | H65 | 1.9° | 125.8° |
| C60 | C18 | C19 | C1 | 79.0° | 62.3° |
| C18 | C60 | C61 | H64 | 120.8° | 123.1° |
| C18 | C60 | C61 | H65 | 120.8° | 122.7° |
| C18 | C60 | C61 | N63 | 163.4° | 145.3° |
| C60 | C18 | C19 | H19 | 50.3° | 60.8° |
| C18 | C60 | H64 | H65 | 117.7° | 117.4° |
| C19 | C1 | C2 | C3 | 139.5° | 138.3° |
| C19 | C1 | C2 | C25 | 95.2° | 99.7° |
| C19 | C1 | C2 | C26 | 28.9° | 24.1° |
| C1 | C19 | C18 | H18 | 40.8° | 53.7° |
| C19 | C1 | C20 | H20 | 67.5° | 77.8° |
| C19 | C1 | C20 | H21 | 172.5° | 42.0° |
| C19 | C1 | C20 | H22 | 52.5° | 161.6° |
| C1 | C2 | C3 | C4 | 38.6° | 34.2° |
| C1 | C2 | C3 | C30 | 82.4° | 90.8° |
| C1 | C2 | C3 | C25 | 123.9° | 122.5° |
| C1 | C2 | C3 | C26 | 117.1° | 120.1° |
| C1 | C2 | C25 | C26 | 125.7° | 128.4° |
| C1 | C2 | C26 | C27 | 158.1° | 173.3° |
| C1 | C2 | C3 | H2 | 151.3° | 145.7° |
| C2 | C1 | C19 | H19 | 33.1° | 29.8° |
| C2 | C1 | C20 | H20 | 67.3° | 62.3° |
| C2 | C1 | C20 | H21 | 52.7° | 177.9° |
| C2 | C1 | C20 | H22 | 172.7° | 58.3° |
| C1 | C2 | C25 | H23 | 180.0° | 71.7° |
| C1 | C2 | C25 | H24 | 60.0° | 48.6° |
| C1 | C2 | C25 | H25 | 60.0° | 168.3° |
| C1 | C2 | C26 | H26 | 80.9° | 49.8° |
| C1 | C2 | C26 | H27 | 37.2° | 64.8° |
| C4 | C3 | C30 | C2 | 113.5° | 121.4° |
| C4 | C3 | C30 | H2 | 120.1° | 114.9° |
| C4 | C3 | C30 | C31 | 148.1° | 135.5° |
| C4 | C3 | C2 | H2 | 112.7° | 111.5° |
| C4 | C3 | C2 | C25 | 162.6° | 156.7° |
| C4 | C3 | C2 | C26 | 78.5° | 85.9° |
| C4 | C3 | C30 | H28 | 27.8° | 101.8° |
| C4 | C3 | C30 | H29 | 91.6° | 14.3° |
| C3 | C30 | C31 | H28 | 120.3° | 123.4° |
| C3 | C30 | C31 | H29 | 120.3° | 121.7° |
| C3 | C30 | C31 | C32 | 165.1° | 163.4° |
| C30 | C3 | C2 | H2 | 126.3° | 123.5° |
| C30 | C3 | C2 | C25 | 41.5° | 31.7° |
| C30 | C3 | C2 | C26 | 160.5° | 149.1° |
| C3 | C30 | H28 | H29 | 119.1° | 117.0° |
| C3 | C30 | C31 | H30 | 74.1° | 75.4° |
| C3 | C30 | C31 | H31 | 44.3° | 41.7° |
| C30 | C31 | C32 | N34 | 150.9° | 94.0° |
| C30 | C31 | C32 | H30 | 120.8° | 121.2° |
| C30 | C31 | C32 | H31 | 120.8° | 121.8° |
| C31 | C30 | C3 | C2 | 98.3° | 103.1° |
| C31 | C30 | C3 | H2 | 28.0° | 20.5° |
| C31 | C30 | H28 | H29 | 119.1° | 115.4° |
| C30 | C31 | H30 | H31 | 117.5° | 118.0° |
| N34 | C32 | C31 | H30 | 30.1° | 144.8° |
| N34 | C32 | C31 | H31 | 88.3° | 27.8° |
| C32 | N34 | H79 | H80 | 179.9° | 179.7° |
| C32 | C31 | C30 | H28 | 44.8° | 40.0° |
| C32 | C31 | C30 | H29 | 74.6° | 75.0° |
| C32 | C31 | H30 | H31 | 117.5° | 117.7° |
| C31 | C32 | N34 | H79 | 179.9° | 179.6° |
| C31 | C32 | N34 | H80 | 0.1° | 0.7° |
| C2L | C01 | N01 | O01 | 176.7° | 179.9° |
| C2L | C01 | N01 | C04 | 177.4° | 175.8° |
| C2L | C01 | N01 | H76 | 2.6° | 3.7° |
| C61 | C60 | C18 | H18 | 1.1° | 1.7° |
| C61 | C60 | H64 | H65 | 117.6° | 114.4° |
| C60 | C61 | N63 | H88 | 179.9° | 179.6° |
| C60 | C61 | N63 | H89 | 0.1° | 1.3° |
| N63 | C61 | C60 | H64 | 75.8° | 22.2° |
| N63 | C61 | C60 | H65 | 42.6° | 92.0° |
| C61 | N63 | H88 | H89 | 180.0° | 178.3° |
| C3 | C2 | C25 | C26 | 115.5° | 117.9° |
| C3 | C2 | C26 | C27 | 47.3° | 63.8° |
| C3 | C2 | C25 | H23 | 61.2° | 174.6° |
| C3 | C2 | C25 | H24 | 58.8° | 65.1° |
| C3 | C2 | C25 | H25 | 178.8° | 54.7° |
| C3 | C2 | C26 | H26 | 168.2° | 59.7° |
| C3 | C2 | C26 | H27 | 73.6° | 174.4° |
| C2 | C3 | C30 | H28 | 141.4° | 19.7° |
| C2 | C3 | C30 | H29 | 21.9° | 135.7° |
| C07 | C05 | C06 | H10 | 119.7° | 119.8° |
| C07 | C05 | C06 | H11 | 119.7° | 119.9° |
| C05 | C07 | C03 | H13 | 119.6° | 120.4° |
| C05 | C07 | C03 | H14 | 119.6° | 120.4° |
| C07 | C05 | C06 | C04 | 105.1° | 156.3° |
| C07 | C05 | C06 | C02 | 11.4° | 29.7° |
| C05 | C07 | C03 | C02 | 26.1° | 10.8° |
| C05 | C07 | C03 | H6 | 93.0° | 109.2° |
| C05 | C07 | C03 | H7 | 145.2° | 130.9° |
| C07 | C05 | H10 | H11 | 121.0° | 121.3° |
| C07 | C05 | C06 | H12 | 130.5° | 83.2° |
| C05 | C07 | H13 | H14 | 121.2° | 120.9° |
| C05 | C06 | C04 | N01 | 55.9° | 85.4° |
| C06 | C05 | C07 | C03 | 9.3° | 12.2° |
| C05 | C06 | C04 | C02 | 114.9° | 119.7° |
| C05 | C06 | C04 | H12 | 124.3° | 120.4° |
| C05 | C06 | C02 | H12 | 119.1° | 113.1° |
| C05 | C06 | C02 | C03 | 27.9° | 36.4° |
| C05 | C06 | C02 | H4 | 91.6° | 83.1° |
| C05 | C06 | C02 | H5 | 147.4° | 155.9° |
| C05 | C06 | C04 | H8 | 176.3° | 36.5° |
| C05 | C06 | C04 | H9 | 64.5° | 153.3° |
| C06 | C05 | H10 | H11 | 121.0° | 121.6° |
| C06 | C05 | C07 | H13 | 128.9° | 108.1° |
| C06 | C05 | C07 | H14 | 110.3° | 132.4° |
| C25 | C2 | C26 | C27 | 75.6° | 58.5° |
| C25 | C2 | C3 | H2 | 84.7° | 91.8° |
| C2 | C25 | H23 | H24 | 120.0° | 121.4° |
| C2 | C25 | H23 | H25 | 120.0° | 120.5° |
| C2 | C25 | H24 | H25 | 120.0° | 120.7° |
| C25 | C2 | C26 | H26 | 45.3° | 177.9° |
| C25 | C2 | C26 | H27 | 163.4° | 63.3° |
| C2 | C26 | C27 | H26 | 120.9° | 124.0° |
| C2 | C26 | C27 | H27 | 121.0° | 122.5° |
| C2 | C26 | C27 | N29 | 135.6° | 97.5° |
| C2 | C26 | C27 | O28 | 45.3° | 85.5° |
| C26 | C2 | C3 | H2 | 34.2° | 25.6° |
| C26 | C2 | C25 | H23 | 54.3° | 56.7° |
| C26 | C2 | C25 | H24 | 174.2° | 177.0° |
| C26 | C2 | C25 | H25 | 65.7° | 63.3° |
| C2 | C26 | H26 | H27 | 117.1° | 115.7° |
| C01 | N01 | C04 | H76 | 180.0° | 179.4° |
| C01 | N01 | C04 | C06 | 150.1° | 165.4° |
| C01 | N01 | C04 | H8 | 29.7° | 43.2° |
| C01 | N01 | C04 | H9 | 89.5° | 72.8° |
| C04 | N01 | C01 | O01 | 0.7° | 4.3° |
| N01 | C04 | C06 | H8 | 120.4° | 121.9° |
| N01 | C04 | C06 | H9 | 120.4° | 121.3° |
| N01 | C04 | C06 | C02 | 170.8° | 154.9° |
| N01 | C04 | H8 | H9 | 118.8° | 116.7° |
| N01 | C04 | C06 | H12 | 68.4° | 35.0° |
| O01 | C01 | N01 | H76 | 179.3° | 176.3° |
| C07 | C03 | C02 | C06 | 33.6° | 29.7° |
| C07 | C03 | C02 | H6 | 119.1° | 119.9° |
| C07 | C03 | C02 | H7 | 119.1° | 120.0° |
| C07 | C03 | C02 | H4 | 85.9° | 90.1° |
| C07 | C03 | C02 | H5 | 153.1° | 149.1° |
| C07 | C03 | H6 | H7 | 122.6° | 121.2° |
| C03 | C07 | C05 | H10 | 129.0° | 108.0° |
| C03 | C07 | C05 | H11 | 110.4° | 132.0° |
| C03 | C07 | H13 | H14 | 121.2° | 120.5° |
| C04 | C06 | C02 | H12 | 120.8° | 120.1° |
| C04 | C06 | C02 | C03 | 92.2° | 163.3° |
| C04 | C06 | C02 | H4 | 148.3° | 43.7° |
| C04 | C06 | C02 | H5 | 27.3° | 77.2° |
| C06 | C04 | H8 | H9 | 118.8° | 118.0° |
| C04 | C06 | C05 | H10 | 135.3° | 36.5° |
| C04 | C06 | C05 | H11 | 14.6° | 83.8° |
| C06 | C04 | N01 | H76 | 29.9° | 15.1° |
| C06 | C02 | C03 | H4 | 119.5° | 119.8° |
| C06 | C02 | C03 | H5 | 119.5° | 119.5° |
| C06 | C02 | H4 | H5 | 121.5° | 122.1° |
| C06 | C02 | C03 | H6 | 85.5° | 90.2° |
| C06 | C02 | C03 | H7 | 152.7° | 149.6° |
| C02 | C06 | C04 | H8 | 68.8° | 83.2° |
| C02 | C06 | C04 | H9 | 50.4° | 33.6° |
| C02 | C06 | C05 | H10 | 108.3° | 90.0° |
| C02 | C06 | C05 | H11 | 131.0° | 149.6° |
| C26 | C27 | N29 | O28 | 179.0° | 176.9° |
| C27 | C26 | H26 | H27 | 117.1° | 113.5° |
| C26 | C27 | N29 | H77 | 179.0° | 179.8° |
| C26 | C27 | N29 | H78 | 1.0° | 0.3° |
| C03 | C02 | H4 | H5 | 121.5° | 121.9° |
| C02 | C03 | H6 | H7 | 122.6° | 121.5° |
| C03 | C02 | C06 | H12 | 147.0° | 76.7° |
| C02 | C03 | C07 | H13 | 145.7° | 131.2° |
| C02 | C03 | C07 | H14 | 93.4° | 109.6° |
| N29 | C27 | C26 | H26 | 103.4° | 26.5° |
| N29 | C27 | C26 | H27 | 14.7° | 139.9° |
| C27 | N29 | H77 | H78 | 180.0° | 179.9° |
| O28 | C27 | C26 | H26 | 75.6° | 150.5° |
| O28 | C27 | C26 | H27 | 166.3° | 37.0° |
| O28 | C27 | N29 | H77 | 0.0° | 3.3° |
| O28 | C27 | N29 | H78 | 180.0° | 176.6° |
| H2 | C3 | C30 | H28 | 92.3° | 143.3° |
| H2 | C3 | C30 | H29 | 148.2° | 100.7° |
| H4 | C02 | C03 | H6 | 155.0° | 150.0° |
| H4 | C02 | C03 | H7 | 33.2° | 29.8° |
| H4 | C02 | C06 | H12 | 27.5° | 163.8° |
| H5 | C02 | C03 | H6 | 34.0° | 29.3° |
| H5 | C02 | C03 | H7 | 87.8° | 90.9° |
| H5 | C02 | C06 | H12 | 93.5° | 42.8° |
| H6 | C03 | C07 | H13 | 26.6° | 11.2° |
| H6 | C03 | C07 | H14 | 147.5° | 130.4° |
| H7 | C03 | C07 | H13 | 95.2° | 108.8° |
| H7 | C03 | C07 | H14 | 25.6° | 10.5° |
| H8 | C04 | C06 | H12 | 52.0° | 156.9° |
| H8 | C04 | N01 | H76 | 150.3° | 137.3° |
| H9 | C04 | C06 | H12 | 171.2° | 86.3° |
| H9 | C04 | N01 | H76 | 90.5° | 106.6° |
| H10 | C05 | C06 | H12 | 10.9° | 157.0° |
| H10 | C05 | C07 | H13 | 111.5° | 131.7° |
| H10 | C05 | C07 | H14 | 9.4° | 12.3° |
| H11 | C05 | C06 | H12 | 109.8° | 36.7° |
| H11 | C05 | C07 | H13 | 9.2° | 11.8° |
| H11 | C05 | C07 | H14 | 130.0° | 107.7° |
| H16 | C13 | C48 | H50 | 160.1° | 106.4° |
| H16 | C13 | C48 | H51 | 82.6° | 137.8° |
| H18 | C18 | C19 | H19 | 170.2° | 176.8° |
| H18 | C18 | C60 | H64 | 119.6° | 124.6° |
| H18 | C18 | C60 | H65 | 121.9° | 119.7° |
| H20 | C20 | H21 | H22 | 120.0° | 118.2° |
| H23 | C25 | H24 | H25 | 120.0° | 118.5° |
| H28 | C30 | C31 | H30 | 165.6° | 161.2° |
| H28 | C30 | C31 | H31 | 75.9° | 81.7° |
| H29 | C30 | C31 | H30 | 46.2° | 46.2° |
| H29 | C30 | C31 | H31 | 164.6° | 163.4° |
| H32 | C35 | H33 | H34 | 120.0° | 119.0° |
| H35 | C36 | H36 | H37 | 120.0° | 119.2° |
| H40 | C41 | C42 | H42 | 174.0° | 164.5° |
| H40 | C41 | C42 | H43 | 63.8° | 78.0° |
| H40 | C41 | C8 | H66 | 65.4° | 137.1° |
| H41 | C41 | C42 | H42 | 55.7° | 49.4° |
| H41 | C41 | C42 | H43 | 177.9° | 166.8° |
| H41 | C41 | C8 | H66 | 176.3° | 106.2° |
| H44 | C46 | H45 | H46 | 120.0° | 119.3° |
| H47 | C47 | H48 | H49 | 120.0° | 119.2° |
| H50 | C48 | C49 | H52 | 26.0° | 68.9° |
| H50 | C48 | C49 | H53 | 93.5° | 47.4° |
| H51 | C48 | C49 | H52 | 143.4° | 176.4° |
| H51 | C48 | C49 | H53 | 23.8° | 67.2° |
| H54 | C53 | H55 | H56 | 120.0° | 118.2° |
| H57 | C54 | H58 | H59 | 120.0° | 118.3° |
| H60 | C55 | C56 | H62 | 159.7° | 173.2° |
| H60 | C55 | C56 | H63 | 38.2° | 69.4° |
| H61 | C55 | C56 | H62 | 81.5° | 59.4° |
| H61 | C55 | C56 | H63 | 156.9° | 176.8° |
| H70 | CR1 | CR2 | H71 | 24.6° | 25.7° |
| H71 | CR2 | CR3 | H72 | 25.8° | 28.2° |
| H71 | CR2 | OR7 | H91 | 55.5° | 44.9° |
| H72 | CR3 | CR4 | H73 | 144.4° | 151.2° |
| H73 | CR4 | CR5 | H74 | 147.3° | 60.0° |
| H73 | CR4 | CR5 | H75 | 92.6° | 178.3° |
| H74 | CR5 | OR8 | H92 | 60.1° | 58.9° |
| H75 | CR5 | OR8 | H92 | 60.1° | 58.9° |
| H87 | N59 | CPR1 | H17 | 111.5° | 147.4° |
| H87 | N59 | CPR1 | H67 | 111.5° | 30.4° |
| H93 | CB10 | H94 | H95 | 120.0° | 118.7° |
| H96 | CB11 | H97 | H98 | 120.0° | 119.1° |
| H1 | CPR2 | CPR1 | H17 | NaN° | 62.7° |
| H1 | CPR2 | CPR1 | H67 | NaN° | 179.9° |
| H1 | CPR2 | CPR3 | H99 | NaN° | 59.9° |
| H1 | CPR2 | CPR3 | H101 | NaN° | 60.0° |
| H1 | CPR2 | CPR3 | H100 | NaN° | 180.0° |
| H99 | CPR3 | H101 | H100 | 90.0° | 119.8° |
