A1DMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CR5 | OR8 | sing | 1.44Å | 1.44Å | |
| CR5 | CR4 | sing | 1.48Å | 1.48Å | |
| OP4 | P1 | doub | 1.48Å | 1.48Å | |
| N45 | C43 | sing | 1.33Å | 1.33Å | |
| CR4 | CR3 | sing | 1.51Å | 1.51Å | |
| CR4 | OR6 | sing | 1.45Å | 1.45Å | |
| CR3 | OP2 | sing | 1.42Å | 1.42Å | |
| CR3 | CR2 | sing | 1.51Å | 1.51Å | |
| OR6 | CR1 | sing | 1.40Å | 1.40Å | |
| P1 | OP5 | sing | 1.49Å | 1.49Å | |
| P1 | OP2 | sing | 1.61Å | 1.61Å | |
| P1 | OP3 | sing | 1.61Å | 1.61Å | |
| C49 | C50 | sing | 1.51Å | 1.51Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| CR1 | CR2 | sing | 1.53Å | 1.53Å | |
| CR1 | NB1 | sing | 1.45Å | 1.45Å | |
| C43 | O44 | doub | 1.25Å | 1.25Å | |
| C43 | C42 | sing | 1.47Å | 1.47Å | |
| CPR3 | CPR2 | sing | 1.50Å | 1.50Å | |
| CB11 | CB6 | sing | 1.51Å | 1.51Å | |
| O51 | C50 | doub | 1.24Å | 1.24Å | |
| C50 | N52 | sing | 1.33Å | 1.33Å | |
| CR2 | OR7 | sing | 1.40Å | 1.40Å | |
| CB7 | CB6 | doub | 1.39Å | 1.39Å | Aromatic |
| CB7 | CB8 | sing | 1.37Å | 1.37Å | Aromatic |
| CPR2 | OP3 | sing | 1.47Å | 1.47Å | |
| CPR2 | CPR1 | sing | 1.50Å | 1.50Å | |
| C47 | C12 | sing | 1.54Å | 1.54Å | |
| C42 | C41 | sing | 1.50Å | 1.50Å | |
| C48 | C13 | sing | 1.54Å | 1.54Å | |
| CB6 | CB5 | sing | 1.40Å | 1.40Å | Aromatic |
| NB1 | CB8 | sing | 1.36Å | 1.36Å | Aromatic |
| NB1 | CB2 | sing | 1.37Å | 1.37Å | Aromatic |
| CB8 | CB9 | doub | 1.39Å | 1.39Å | Aromatic |
| CPR1 | N59 | sing | 1.45Å | 1.45Å | |
| C12 | C13 | sing | 1.56Å | 1.56Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C46 | sing | 1.55Å | 1.55Å | |
| CB2 | NB3 | doub | 1.34Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| CB5 | CB10 | sing | 1.50Å | 1.50Å | |
| CB5 | CB4 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C8 | sing | 1.55Å | 1.55Å | |
| CB9 | CB4 | sing | 1.39Å | 1.39Å | Aromatic |
| CB9 | NB3 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | |
| C10 | C9 | doub | 1.40Å | 1.40Å | |
| C11 | N23 | doub | 1.33Å | 1.33Å | |
| O58 | C57 | doub | 1.24Å | 1.24Å | |
| N59 | C57 | sing | 1.30Å | 1.30Å | |
| NB3 | CO1 | sing | 2.07Å | 2.07Å | |
| C57 | C56 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.55Å | 1.55Å | |
| C14 | N23 | sing | 1.41Å | 1.41Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | |
| C9 | N22 | sing | 1.35Å | 1.35Å | |
| N23 | CO1 | sing | 1.91Å | 1.91Å | |
| C53 | C15 | sing | 1.52Å | 1.52Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.43Å | 1.43Å | |
| O39 | C38 | doub | 1.25Å | 1.25Å | |
| N22 | CO1 | sing | 1.92Å | 1.92Å | |
| N22 | C6 | doub | 1.40Å | 1.40Å | |
| C7 | C36 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C37 | sing | 1.53Å | 1.53Å | |
| CO1 | N24 | sing | 1.91Å | 1.91Å | |
| CO1 | N21 | sing | 1.85Å | 1.85Å | |
| CO1 | C1L | sing | 1.87Å | 1.87Å | |
| C16 | N24 | doub | 1.32Å | 1.32Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C38 | C37 | sing | 1.50Å | 1.50Å | |
| C38 | N40 | sing | 1.33Å | 1.33Å | |
| C6 | C5 | sing | 1.37Å | 1.37Å | |
| C55 | C17 | sing | 1.54Å | 1.54Å | |
| N24 | C19 | sing | 1.48Å | 1.48Å | |
| C20 | C1 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.55Å | 1.55Å | |
| C17 | C54 | sing | 1.56Å | 1.56Å | |
| N21 | C1 | sing | 1.49Å | 1.49Å | |
| N21 | C4 | sing | 1.30Å | 1.30Å | |
| C1L | C2L | trip | 1.22Å | 1.22Å | |
| O33 | C32 | doub | 1.23Å | 1.23Å | |
| O62 | C61 | doub | 1.25Å | 1.25Å | |
| C5 | C4 | doub | 1.45Å | 1.45Å | |
| C5 | C35 | sing | 1.52Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C60 | sing | 1.55Å | 1.55Å | |
| C1 | C19 | sing | 1.55Å | 1.55Å | |
| C1 | C2 | sing | 1.58Å | 1.58Å | |
| C03 | C02 | sing | 1.49Å | 1.49Å | |
| C03 | C04 | sing | 1.50Å | 1.50Å | |
| C4 | C3 | sing | 1.50Å | 1.50Å | |
| C30 | C3 | sing | 1.56Å | 1.56Å | |
| C30 | C31 | sing | 1.54Å | 1.54Å | |
| C02 | C04 | sing | 1.50Å | 1.50Å | |
| C02 | N01 | sing | 1.45Å | 1.45Å | |
| C32 | N34 | sing | 1.35Å | 1.35Å | |
| C32 | C31 | sing | 1.52Å | 1.52Å | |
| C2L | C01 | sing | 1.53Å | 1.53Å | |
| C61 | C60 | sing | 1.52Å | 1.52Å | |
| C61 | N63 | sing | 1.33Å | 1.33Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | C25 | sing | 1.52Å | 1.52Å | |
| C2 | C26 | sing | 1.54Å | 1.54Å | |
| N01 | C01 | sing | 1.47Å | 1.47Å | |
| C01 | O01 | doub | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | N29 | sing | 1.33Å | 1.33Å | |
| C27 | O28 | doub | 1.26Å | 1.26Å | |
| C3 | H2 | sing | 1.10Å | 1.10Å | |
| CB2 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.10Å | 1.10Å | |
| C03 | H5 | sing | 1.10Å | 1.10Å | |
| C03 | H6 | sing | 1.10Å | 1.10Å | |
| C04 | H7 | sing | 1.10Å | 1.10Å | |
| C04 | H8 | sing | 1.10Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.10Å | 1.10Å | |
| C18 | H15 | sing | 1.10Å | 1.10Å | |
| C19 | H16 | sing | 1.10Å | 1.10Å | |
| C20 | H17 | sing | 1.10Å | 1.10Å | |
| C20 | H18 | sing | 1.10Å | 1.10Å | |
| C20 | H19 | sing | 1.10Å | 1.10Å | |
| C25 | H20 | sing | 1.10Å | 1.10Å | |
| C25 | H21 | sing | 1.10Å | 1.10Å | |
| C25 | H22 | sing | 1.10Å | 1.10Å | |
| C26 | H23 | sing | 1.10Å | 1.10Å | |
| C26 | H24 | sing | 1.10Å | 1.10Å | |
| C30 | H25 | sing | 1.10Å | 1.10Å | |
| C30 | H26 | sing | 1.10Å | 1.10Å | |
| C31 | H27 | sing | 1.10Å | 1.10Å | |
| C31 | H28 | sing | 1.10Å | 1.10Å | |
| C35 | H29 | sing | 1.10Å | 1.10Å | |
| C35 | H30 | sing | 1.10Å | 1.10Å | |
| C35 | H31 | sing | 1.10Å | 1.10Å | |
| C36 | H32 | sing | 1.10Å | 1.10Å | |
| C36 | H33 | sing | 1.10Å | 1.10Å | |
| C36 | H34 | sing | 1.10Å | 1.10Å | |
| C37 | H35 | sing | 1.10Å | 1.10Å | |
| C37 | H36 | sing | 1.10Å | 1.10Å | |
| C41 | H37 | sing | 1.10Å | 1.10Å | |
| C41 | H38 | sing | 1.10Å | 1.10Å | |
| C42 | H39 | sing | 1.10Å | 1.10Å | |
| C42 | H40 | sing | 1.10Å | 1.10Å | |
| C46 | H41 | sing | 1.10Å | 1.10Å | |
| C46 | H42 | sing | 1.10Å | 1.10Å | |
| C46 | H43 | sing | 1.10Å | 1.10Å | |
| C47 | H44 | sing | 1.10Å | 1.10Å | |
| C47 | H45 | sing | 1.10Å | 1.10Å | |
| C47 | H46 | sing | 1.10Å | 1.10Å | |
| C48 | H47 | sing | 1.10Å | 1.10Å | |
| C49 | H48 | sing | 1.10Å | 1.10Å | |
| C53 | H49 | sing | 1.10Å | 1.10Å | |
| C53 | H50 | sing | 1.10Å | 1.10Å | |
| C53 | H51 | sing | 1.10Å | 1.10Å | |
| C54 | H52 | sing | 1.10Å | 1.10Å | |
| C54 | H53 | sing | 1.10Å | 1.10Å | |
| C54 | H54 | sing | 1.10Å | 1.10Å | |
| C55 | H55 | sing | 1.10Å | 1.10Å | |
| C55 | H56 | sing | 1.10Å | 1.10Å | |
| C56 | H57 | sing | 1.10Å | 1.10Å | |
| C56 | H58 | sing | 1.10Å | 1.10Å | |
| C60 | H59 | sing | 1.10Å | 1.10Å | |
| C60 | H60 | sing | 1.10Å | 1.10Å | |
| C8 | H61 | sing | 1.10Å | 1.10Å | |
| CB4 | H62 | sing | 1.08Å | 1.08Å | |
| CB7 | H63 | sing | 1.08Å | 1.08Å | |
| CR1 | H64 | sing | 1.10Å | 1.10Å | |
| CR2 | H65 | sing | 1.10Å | 1.10Å | |
| CR3 | H66 | sing | 1.10Å | 1.10Å | |
| CR4 | H67 | sing | 1.10Å | 1.10Å | |
| CR5 | H68 | sing | 1.10Å | 1.10Å | |
| CR5 | H69 | sing | 1.10Å | 1.10Å | |
| N01 | H70 | sing | 1.00Å | 1.00Å | |
| N29 | H71 | sing | 1.00Å | 1.00Å | |
| N29 | H72 | sing | 1.00Å | 1.00Å | |
| N34 | H73 | sing | 1.00Å | 1.00Å | |
| N34 | H74 | sing | 1.00Å | 1.00Å | |
| N40 | H75 | sing | 1.00Å | 1.00Å | |
| N40 | H76 | sing | 1.00Å | 1.00Å | |
| N45 | H77 | sing | 1.00Å | 1.00Å | |
| N45 | H78 | sing | 1.00Å | 1.00Å | |
| N52 | H79 | sing | 1.00Å | 1.00Å | |
| N52 | H80 | sing | 1.00Å | 1.00Å | |
| N59 | H81 | sing | 1.00Å | 1.00Å | |
| N63 | H82 | sing | 1.00Å | 1.00Å | |
| N63 | H83 | sing | 1.00Å | 1.00Å | |
| OP5 | H84 | sing | 0.95Å | 0.95Å | |
| OR7 | H85 | sing | 0.95Å | 0.95Å | |
| OR8 | H86 | sing | 0.95Å | 0.95Å | |
| CB10 | H87 | sing | 1.10Å | 1.10Å | |
| CB10 | H88 | sing | 1.10Å | 1.10Å | |
| CB10 | H89 | sing | 1.10Å | 1.10Å | |
| CB11 | H90 | sing | 1.10Å | 1.10Å | |
| CB11 | H91 | sing | 1.10Å | 1.10Å | |
| CB11 | H92 | sing | 1.10Å | 1.10Å | |
| CPR1 | H93 | sing | 1.10Å | 1.10Å | |
| CPR1 | H94 | sing | 1.10Å | 1.10Å | |
| CPR2 | H95 | sing | 1.10Å | 1.10Å | |
| CPR3 | H96 | sing | 1.10Å | 1.10Å | |
| CPR3 | H97 | sing | 1.10Å | 1.10Å | |
| CPR3 | H98 | sing | 1.10Å | 1.10Å | |
| C48 | H1 | sing | 1.10Å | 1.10Å | |
| C49 | H10 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OR8 | CR5 | CR4 | 109.6° | 109.6° |
| OR8 | CR5 | H68 | 109.5° | 109.5° |
| OR8 | CR5 | H69 | 109.5° | 109.5° |
| CR5 | OR8 | H86 | 109.5° | 109.5° |
| CR5 | CR4 | CR3 | 117.5° | 117.5° |
| CR5 | CR4 | OR6 | 107.2° | 107.2° |
| CR5 | CR4 | H67 | 108.3° | 108.3° |
| CR4 | CR5 | H68 | 109.4° | 109.4° |
| CR4 | CR5 | H69 | 109.5° | 109.5° |
| OP4 | P1 | OP5 | 122.4° | 122.4° |
| OP4 | P1 | OP2 | 110.8° | 110.8° |
| OP4 | P1 | OP3 | 107.1° | 107.1° |
| N45 | C43 | O44 | 124.0° | 124.0° |
| N45 | C43 | C42 | 117.1° | 117.1° |
| C43 | N45 | H77 | 120.0° | 120.0° |
| C43 | N45 | H78 | 120.0° | 120.0° |
| CR3 | CR4 | OR6 | 107.1° | 107.1° |
| CR4 | CR3 | OP2 | 105.1° | 105.1° |
| CR4 | CR3 | CR2 | 101.1° | 101.1° |
| CR4 | CR3 | H66 | 111.9° | 111.9° |
| CR3 | CR4 | H67 | 107.9° | 107.9° |
| CR4 | OR6 | CR1 | 110.5° | 110.5° |
| OR6 | CR4 | H67 | 108.7° | 108.7° |
| OP2 | CR3 | CR2 | 112.7° | 112.7° |
| CR3 | OP2 | P1 | 123.8° | 123.8° |
| OP2 | CR3 | H66 | 113.4° | 113.4° |
| CR3 | CR2 | CR1 | 103.2° | 103.2° |
| CR3 | CR2 | OR7 | 109.3° | 109.3° |
| CR3 | CR2 | H65 | 111.7° | 111.7° |
| CR2 | CR3 | H66 | 111.8° | 111.8° |
| OR6 | CR1 | CR2 | 102.8° | 102.8° |
| OR6 | CR1 | NB1 | 109.8° | 109.8° |
| OR6 | CR1 | H64 | 113.3° | 113.3° |
| OP5 | P1 | OP2 | 106.9° | 106.9° |
| OP5 | P1 | OP3 | 104.6° | 104.6° |
| P1 | OP5 | H84 | 109.5° | 109.5° |
| OP2 | P1 | OP3 | 103.3° | 103.3° |
| P1 | OP3 | CPR2 | 120.2° | 120.2° |
| C50 | C49 | C48 | 115.2° | 115.2° |
| C49 | C50 | O51 | 118.6° | 118.6° |
| C49 | C50 | N52 | 119.0° | 119.0° |
| C50 | C49 | H48 | 108.0° | 108.0° |
| C50 | C49 | H10 | 108.0° | 108.0° |
| C49 | C48 | C13 | 118.4° | 118.4° |
| C49 | C48 | H47 | 107.2° | 107.2° |
| C48 | C49 | H48 | 108.0° | 108.0° |
| C49 | C48 | H1 | 107.2° | 107.2° |
| C48 | C49 | H10 | 108.0° | 108.0° |
| CR2 | CR1 | NB1 | 106.3° | 106.3° |
| CR1 | CR2 | OR7 | 106.9° | 106.9° |
| CR2 | CR1 | H64 | 111.3° | 111.3° |
| CR1 | CR2 | H65 | 111.5° | 111.5° |
| CR1 | NB1 | CB8 | 124.9° | 124.9° |
| CR1 | NB1 | CB2 | 129.4° | 129.4° |
| NB1 | CR1 | H64 | 112.6° | 112.6° |
| O44 | C43 | C42 | 118.8° | 118.8° |
| C43 | C42 | C41 | 105.6° | 105.6° |
| C43 | C42 | H39 | 110.5° | 110.5° |
| C43 | C42 | H40 | 110.4° | 110.4° |
| CPR3 | CPR2 | OP3 | 111.8° | 111.8° |
| CPR3 | CPR2 | CPR1 | 110.5° | 110.5° |
| CPR3 | CPR2 | H95 | 109.6° | 109.6° |
| CPR2 | CPR3 | H96 | 109.5° | 109.5° |
| CPR2 | CPR3 | H97 | 109.4° | 109.4° |
| CPR2 | CPR3 | H98 | 109.5° | 109.5° |
| CB11 | CB6 | CB7 | 118.9° | 118.9° |
| CB11 | CB6 | CB5 | 119.4° | 119.4° |
| CB6 | CB11 | H90 | 109.5° | 109.5° |
| CB6 | CB11 | H91 | 109.5° | 109.5° |
| CB6 | CB11 | H92 | 109.5° | 109.5° |
| O51 | C50 | N52 | 122.4° | 122.4° |
| C50 | N52 | H79 | 120.0° | 120.0° |
| C50 | N52 | H80 | 120.0° | 120.0° |
| OR7 | CR2 | H65 | 113.5° | 113.5° |
| CR2 | OR7 | H85 | 109.5° | 109.5° |
| CB6 | CB7 | CB8 | 116.2° | 116.2° |
| CB7 | CB6 | CB5 | 121.6° | 121.6° |
| CB6 | CB7 | H63 | 121.9° | 121.9° |
| CB7 | CB8 | NB1 | 128.9° | 128.9° |
| CB7 | CB8 | CB9 | 123.5° | 123.5° |
| CB8 | CB7 | H63 | 121.9° | 121.9° |
| OP3 | CPR2 | CPR1 | 105.2° | 105.2° |
| OP3 | CPR2 | H95 | 110.0° | 110.0° |
| CPR2 | CPR1 | N59 | 114.1° | 114.1° |
| CPR2 | CPR1 | H93 | 108.3° | 108.3° |
| CPR2 | CPR1 | H94 | 108.3° | 108.3° |
| CPR1 | CPR2 | H95 | 109.6° | 109.6° |
| C47 | C12 | C13 | 117.0° | 117.0° |
| C47 | C12 | C11 | 116.8° | 116.8° |
| C47 | C12 | C46 | 110.0° | 110.0° |
| C12 | C47 | H44 | 109.5° | 109.5° |
| C12 | C47 | H45 | 109.5° | 109.5° |
| C12 | C47 | H46 | 109.5° | 109.5° |
| C42 | C41 | C8 | 115.0° | 115.0° |
| C42 | C41 | H37 | 108.1° | 108.1° |
| C42 | C41 | H38 | 108.1° | 108.1° |
| C41 | C42 | H39 | 110.4° | 110.4° |
| C41 | C42 | H40 | 110.5° | 110.5° |
| C48 | C13 | C12 | 117.0° | 117.0° |
| C48 | C13 | C14 | 109.6° | 109.6° |
| C48 | C13 | H11 | 109.2° | 109.2° |
| C13 | C48 | H47 | 107.2° | 107.2° |
| C13 | C48 | H1 | 107.2° | 107.2° |
| CB6 | CB5 | CB10 | 118.1° | 118.1° |
| CB6 | CB5 | CB4 | 120.9° | 120.9° |
| CB8 | NB1 | CB2 | 105.6° | 105.6° |
| NB1 | CB8 | CB9 | 107.6° | 107.6° |
| NB1 | CB2 | NB3 | 113.6° | 113.6° |
| NB1 | CB2 | H3 | 123.2° | 123.2° |
| CB8 | CB9 | CB4 | 119.8° | 119.8° |
| CB8 | CB9 | NB3 | 109.3° | 109.3° |
| CPR1 | N59 | C57 | 119.1° | 119.1° |
| CPR1 | N59 | H81 | 120.5° | 120.5° |
| N59 | CPR1 | H93 | 108.3° | 108.3° |
| N59 | CPR1 | H94 | 108.3° | 108.3° |
| C13 | C12 | C11 | 100.1° | 100.1° |
| C13 | C12 | C46 | 107.2° | 107.2° |
| C12 | C13 | C14 | 102.6° | 102.6° |
| C12 | C13 | H11 | 108.9° | 108.9° |
| C11 | C12 | C46 | 104.6° | 104.6° |
| C12 | C11 | C10 | 124.2° | 124.2° |
| C12 | C11 | N23 | 109.8° | 109.8° |
| C12 | C46 | H41 | 109.5° | 109.5° |
| C12 | C46 | H42 | 109.4° | 109.4° |
| C12 | C46 | H43 | 109.5° | 109.5° |
| CB2 | NB3 | CB9 | 103.9° | 103.9° |
| CB2 | NB3 | CO1 | 123.8° | 123.8° |
| NB3 | CB2 | H3 | 123.2° | 123.2° |
| C13 | C14 | N23 | 108.3° | 108.3° |
| C13 | C14 | C15 | 123.1° | 123.1° |
| C14 | C13 | H11 | 109.3° | 109.3° |
| CB10 | CB5 | CB4 | 120.9° | 120.9° |
| CB5 | CB10 | H87 | 109.5° | 109.5° |
| CB5 | CB10 | H88 | 109.4° | 109.4° |
| CB5 | CB10 | H89 | 109.4° | 109.4° |
| CB5 | CB4 | CB9 | 117.9° | 117.9° |
| CB5 | CB4 | H62 | 121.0° | 121.0° |
| C41 | C8 | C9 | 110.9° | 110.9° |
| C41 | C8 | C7 | 114.8° | 114.8° |
| C8 | C41 | H37 | 108.1° | 108.1° |
| C8 | C41 | H38 | 108.1° | 108.1° |
| C41 | C8 | H61 | 109.7° | 109.7° |
| CB4 | CB9 | NB3 | 130.9° | 130.9° |
| CB9 | CB4 | H62 | 121.0° | 121.0° |
| CB9 | NB3 | CO1 | 132.3° | 132.3° |
| C11 | C10 | C9 | 125.6° | 125.6° |
| C10 | C11 | N23 | 125.4° | 125.4° |
| C11 | C10 | H9 | 117.2° | 117.2° |
| C10 | C9 | C8 | 124.8° | 124.8° |
| C10 | C9 | N22 | 125.6° | 125.6° |
| C9 | C10 | H9 | 117.2° | 117.2° |
| C11 | N23 | C14 | 109.5° | 109.5° |
| C11 | N23 | CO1 | 122.1° | 122.1° |
| O58 | C57 | N59 | 121.8° | 121.8° |
| O58 | C57 | C56 | 117.1° | 117.1° |
| N59 | C57 | C56 | 120.9° | 120.9° |
| C57 | N59 | H81 | 120.5° | 120.5° |
| NB3 | CO1 | N23 | 87.5° | 87.5° |
| NB3 | CO1 | N22 | 89.1° | 89.1° |
| NB3 | CO1 | N24 | 94.7° | 94.7° |
| NB3 | CO1 | N21 | 96.8° | 96.8° |
| NB3 | CO1 | C1L | 173.5° | 173.5° |
| C57 | C56 | C55 | 105.6° | 105.6° |
| C57 | C56 | H57 | 110.4° | 110.4° |
| C57 | C56 | H58 | 110.4° | 110.4° |
| C9 | C8 | C7 | 101.5° | 101.5° |
| C8 | C9 | N22 | 109.6° | 109.6° |
| C9 | C8 | H61 | 110.0° | 110.0° |
| C8 | C7 | C36 | 108.8° | 108.8° |
| C8 | C7 | C6 | 100.1° | 100.1° |
| C8 | C7 | C37 | 109.7° | 109.7° |
| C7 | C8 | H61 | 109.8° | 109.7° |
| N23 | C14 | C15 | 128.0° | 128.0° |
| C14 | N23 | CO1 | 124.5° | 124.5° |
| C14 | C15 | C53 | 116.8° | 116.8° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C9 | N22 | CO1 | 120.9° | 120.9° |
| C9 | N22 | C6 | 110.2° | 110.2° |
| N23 | CO1 | N22 | 97.7° | 97.7° |
| N23 | CO1 | N24 | 88.9° | 88.9° |
| N23 | CO1 | N21 | 172.5° | 172.5° |
| N23 | CO1 | C1L | 93.1° | 93.1° |
| C53 | C15 | C16 | 118.7° | 118.7° |
| C15 | C53 | H49 | 109.5° | 109.5° |
| C15 | C53 | H50 | 109.5° | 109.5° |
| C15 | C53 | H51 | 109.5° | 109.5° |
| C56 | C55 | C17 | 114.3° | 114.3° |
| C56 | C55 | H55 | 108.3° | 108.2° |
| C56 | C55 | H56 | 108.3° | 108.3° |
| C55 | C56 | H57 | 110.4° | 110.4° |
| C55 | C56 | H58 | 110.4° | 110.4° |
| C15 | C16 | N24 | 120.7° | 120.7° |
| C15 | C16 | C17 | 127.7° | 127.7° |
| O39 | C38 | C37 | 120.5° | 120.5° |
| O39 | C38 | N40 | 121.7° | 121.7° |
| CO1 | N22 | C6 | 128.3° | 128.3° |
| N22 | CO1 | N24 | 172.6° | 172.6° |
| N22 | CO1 | N21 | 88.6° | 88.6° |
| N22 | CO1 | C1L | 84.4° | 84.4° |
| N22 | C6 | C7 | 108.6° | 108.6° |
| N22 | C6 | C5 | 121.8° | 121.8° |
| C36 | C7 | C6 | 121.8° | 121.8° |
| C36 | C7 | C37 | 109.7° | 109.7° |
| C7 | C36 | H32 | 109.5° | 109.5° |
| C7 | C36 | H33 | 109.5° | 109.5° |
| C7 | C36 | H34 | 109.5° | 109.4° |
| C6 | C7 | C37 | 106.0° | 106.0° |
| C7 | C6 | C5 | 128.1° | 128.1° |
| C7 | C37 | C38 | 111.5° | 111.5° |
| C7 | C37 | H35 | 109.0° | 109.0° |
| C7 | C37 | H36 | 109.0° | 109.0° |
| N24 | CO1 | N21 | 84.6° | 84.6° |
| N24 | CO1 | C1L | 91.7° | 91.7° |
| CO1 | N24 | C16 | 135.3° | 135.3° |
| CO1 | N24 | C19 | 113.5° | 113.5° |
| N21 | CO1 | C1L | 83.4° | 83.4° |
| CO1 | N21 | C1 | 115.2° | 115.2° |
| CO1 | N21 | C4 | 129.4° | 129.4° |
| CO1 | C1L | C2L | 172.0° | 172.0° |
| N24 | C16 | C17 | 111.6° | 111.6° |
| C16 | N24 | C19 | 110.3° | 110.3° |
| C16 | C17 | C55 | 118.7° | 118.7° |
| C16 | C17 | C18 | 97.7° | 97.7° |
| C16 | C17 | C54 | 112.4° | 112.4° |
| C37 | C38 | N40 | 117.8° | 117.8° |
| C38 | C37 | H35 | 109.0° | 109.0° |
| C38 | C37 | H36 | 108.9° | 108.9° |
| C38 | N40 | H75 | 120.0° | 120.0° |
| C38 | N40 | H76 | 120.0° | 120.0° |
| C6 | C5 | C4 | 121.2° | 121.2° |
| C6 | C5 | C35 | 124.9° | 124.9° |
| C55 | C17 | C18 | 107.5° | 107.5° |
| C55 | C17 | C54 | 108.9° | 108.9° |
| C17 | C55 | H55 | 108.3° | 108.3° |
| C17 | C55 | H56 | 108.2° | 108.2° |
| N24 | C19 | C18 | 100.0° | 100.0° |
| N24 | C19 | C1 | 105.1° | 105.1° |
| N24 | C19 | H16 | 111.4° | 111.4° |
| C20 | C1 | N21 | 111.9° | 111.9° |
| C20 | C1 | C19 | 106.2° | 106.2° |
| C20 | C1 | C2 | 115.8° | 115.8° |
| C1 | C20 | H17 | 109.5° | 109.5° |
| C1 | C20 | H18 | 109.5° | 109.5° |
| C1 | C20 | H19 | 109.5° | 109.5° |
| C18 | C17 | C54 | 111.0° | 111.0° |
| C17 | C18 | C19 | 103.2° | 103.2° |
| C17 | C18 | C60 | 116.8° | 116.8° |
| C17 | C18 | H15 | 106.5° | 106.5° |
| C17 | C54 | H52 | 109.5° | 109.5° |
| C17 | C54 | H53 | 109.5° | 109.5° |
| C17 | C54 | H54 | 109.5° | 109.5° |
| C1 | N21 | C4 | 113.3° | 113.3° |
| N21 | C1 | C19 | 104.2° | 104.2° |
| N21 | C1 | C2 | 97.7° | 97.7° |
| N21 | C4 | C5 | 124.1° | 124.1° |
| N21 | C4 | C3 | 111.0° | 111.0° |
| C1L | C2L | C01 | 171.5° | 171.5° |
| O33 | C32 | N34 | 125.2° | 125.2° |
| O33 | C32 | C31 | 122.5° | 122.5° |
| O62 | C61 | C60 | 125.1° | 125.1° |
| O62 | C61 | N63 | 121.4° | 121.4° |
| C4 | C5 | C35 | 113.9° | 113.9° |
| C5 | C4 | C3 | 119.0° | 119.0° |
| C5 | C35 | H29 | 109.5° | 109.5° |
| C5 | C35 | H30 | 109.5° | 109.5° |
| C5 | C35 | H31 | 109.5° | 109.5° |
| C19 | C18 | C60 | 116.5° | 116.5° |
| C18 | C19 | C1 | 118.8° | 118.8° |
| C19 | C18 | H15 | 106.7° | 106.7° |
| C18 | C19 | H16 | 110.7° | 110.7° |
| C18 | C60 | C61 | 116.4° | 116.4° |
| C60 | C18 | H15 | 106.5° | 106.5° |
| C18 | C60 | H59 | 107.7° | 107.7° |
| C18 | C60 | H60 | 107.7° | 107.7° |
| C19 | C1 | C2 | 120.1° | 120.1° |
| C1 | C19 | H16 | 110.3° | 110.3° |
| C1 | C2 | C3 | 105.3° | 105.3° |
| C1 | C2 | C25 | 111.4° | 111.4° |
| C1 | C2 | C26 | 111.3° | 111.3° |
| C02 | C03 | C04 | 60.2° | 60.2° |
| C03 | C02 | C04 | 60.1° | 60.1° |
| C03 | C02 | N01 | 114.2° | 114.2° |
| C03 | C02 | H4 | 117.8° | 117.8° |
| C02 | C03 | H5 | 120.0° | 120.0° |
| C02 | C03 | H6 | 120.0° | 120.0° |
| C03 | C04 | C02 | 59.7° | 59.7° |
| C04 | C03 | H5 | 120.0° | 120.0° |
| C04 | C03 | H6 | 120.0° | 120.0° |
| C03 | C04 | H7 | 120.0° | 120.0° |
| C03 | C04 | H8 | 120.0° | 120.0° |
| C4 | C3 | C30 | 115.6° | 115.6° |
| C4 | C3 | C2 | 95.5° | 95.5° |
| C4 | C3 | H2 | 109.1° | 109.1° |
| C3 | C30 | C31 | 111.1° | 111.1° |
| C30 | C3 | C2 | 118.9° | 118.9° |
| C30 | C3 | H2 | 108.3° | 108.3° |
| C3 | C30 | H25 | 109.1° | 109.1° |
| C3 | C30 | H26 | 109.1° | 109.1° |
| C30 | C31 | C32 | 118.9° | 118.9° |
| C31 | C30 | H25 | 109.0° | 109.0° |
| C31 | C30 | H26 | 109.1° | 109.1° |
| C30 | C31 | H27 | 107.1° | 107.1° |
| C30 | C31 | H28 | 107.1° | 107.1° |
| C04 | C02 | N01 | 115.2° | 115.2° |
| C04 | C02 | H4 | 117.6° | 117.6° |
| C02 | C04 | H7 | 120.1° | 120.1° |
| C02 | C04 | H8 | 120.1° | 120.1° |
| C02 | N01 | C01 | 118.4° | 118.4° |
| N01 | C02 | H4 | 118.7° | 118.7° |
| C02 | N01 | H70 | 120.8° | 120.8° |
| N34 | C32 | C31 | 112.3° | 112.3° |
| C32 | N34 | H73 | 120.0° | 120.0° |
| C32 | N34 | H74 | 120.0° | 120.0° |
| C32 | C31 | H27 | 107.0° | 107.0° |
| C32 | C31 | H28 | 107.0° | 107.0° |
| C2L | C01 | N01 | 129.4° | 129.4° |
| C2L | C01 | O01 | 110.0° | 110.0° |
| C60 | C61 | N63 | 113.5° | 113.5° |
| C61 | C60 | H59 | 107.7° | 107.7° |
| C61 | C60 | H60 | 107.7° | 107.7° |
| C61 | N63 | H82 | 120.0° | 120.0° |
| C61 | N63 | H83 | 120.0° | 120.0° |
| C3 | C2 | C25 | 113.6° | 113.6° |
| C3 | C2 | C26 | 101.1° | 101.1° |
| C2 | C3 | H2 | 108.6° | 108.6° |
| C25 | C2 | C26 | 113.5° | 113.5° |
| C2 | C25 | H20 | 109.5° | 109.5° |
| C2 | C25 | H21 | 109.5° | 109.5° |
| C2 | C25 | H22 | 109.4° | 109.4° |
| C2 | C26 | C27 | 117.5° | 117.5° |
| C2 | C26 | H23 | 107.4° | 107.4° |
| C2 | C26 | H24 | 107.4° | 107.4° |
| N01 | C01 | O01 | 120.5° | 120.5° |
| C01 | N01 | H70 | 120.8° | 120.8° |
| C26 | C27 | N29 | 114.8° | 114.8° |
| C26 | C27 | O28 | 122.7° | 122.7° |
| C27 | C26 | H23 | 107.5° | 107.4° |
| C27 | C26 | H24 | 107.4° | 107.4° |
| N29 | C27 | O28 | 122.4° | 122.4° |
| C27 | N29 | H71 | 120.0° | 120.0° |
| C27 | N29 | H72 | 120.0° | 120.0° |
| H5 | C03 | H6 | 109.4° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.4° |
| H20 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | H31 | 109.5° | 109.4° |
| H30 | C35 | H31 | 109.4° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H34 | 109.4° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C41 | H38 | 109.5° | 109.5° |
| H39 | C42 | H40 | 109.5° | 109.5° |
| H41 | C46 | H42 | 109.5° | 109.5° |
| H41 | C46 | H43 | 109.5° | 109.5° |
| H42 | C46 | H43 | 109.5° | 109.5° |
| H44 | C47 | H45 | 109.5° | 109.5° |
| H44 | C47 | H46 | 109.4° | 109.4° |
| H45 | C47 | H46 | 109.5° | 109.5° |
| H47 | C48 | H1 | 109.5° | 109.5° |
| H48 | C49 | H10 | 109.5° | 109.5° |
| H49 | C53 | H50 | 109.4° | 109.4° |
| H49 | C53 | H51 | 109.5° | 109.5° |
| H50 | C53 | H51 | 109.5° | 109.5° |
| H52 | C54 | H53 | 109.4° | 109.4° |
| H52 | C54 | H54 | 109.5° | 109.5° |
| H53 | C54 | H54 | 109.5° | 109.5° |
| H55 | C55 | H56 | 109.4° | 109.5° |
| H57 | C56 | H58 | 109.5° | 109.5° |
| H59 | C60 | H60 | 109.5° | 109.5° |
| H68 | CR5 | H69 | 109.4° | 109.4° |
| H71 | N29 | H72 | 120.0° | 120.0° |
| H73 | N34 | H74 | 120.0° | 120.0° |
| H75 | N40 | H76 | 120.0° | 120.0° |
| H77 | N45 | H78 | 120.0° | 120.0° |
| H79 | N52 | H80 | 120.0° | 120.0° |
| H82 | N63 | H83 | 120.0° | 120.0° |
| H87 | CB10 | H88 | 109.5° | 109.5° |
| H87 | CB10 | H89 | 109.5° | 109.5° |
| H88 | CB10 | H89 | 109.5° | 109.5° |
| H90 | CB11 | H91 | 109.5° | 109.5° |
| H90 | CB11 | H92 | 109.4° | 109.4° |
| H91 | CB11 | H92 | 109.5° | 109.5° |
| H93 | CPR1 | H94 | 109.5° | 109.4° |
| H96 | CPR3 | H97 | 109.5° | 109.5° |
| H96 | CPR3 | H98 | 109.5° | 109.5° |
| H97 | CPR3 | H98 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OR8 | CR5 | CR4 | H68 | 120.0° | 120.0° |
| OR8 | CR5 | CR4 | H69 | 120.0° | 120.0° |
| OR8 | CR5 | CR4 | CR3 | 177.8° | 177.8° |
| OR8 | CR5 | CR4 | OR6 | 57.3° | 57.3° |
| OR8 | CR5 | CR4 | H67 | 59.8° | 59.8° |
| OR8 | CR5 | H68 | H69 | 120.0° | 120.0° |
| CR5 | CR4 | CR3 | OR6 | 120.6° | 120.6° |
| CR5 | CR4 | CR3 | H67 | 122.6° | 122.6° |
| CR5 | CR4 | OR6 | H67 | 116.8° | 116.8° |
| CR5 | CR4 | CR3 | OP2 | 100.5° | 100.5° |
| CR5 | CR4 | CR3 | CR2 | 142.1° | 142.1° |
| CR5 | CR4 | OR6 | CR1 | 124.6° | 124.6° |
| CR5 | CR4 | CR3 | H66 | 22.9° | 22.9° |
| CR4 | CR5 | H68 | H69 | 119.9° | 119.9° |
| CR4 | CR5 | OR8 | H86 | 180.0° | 180.0° |
| OP4 | P1 | OP2 | CR3 | 48.1° | 48.1° |
| OP4 | P1 | OP5 | OP2 | 129.2° | 129.2° |
| OP4 | P1 | OP5 | OP3 | 121.7° | 121.7° |
| OP4 | P1 | OP2 | OP3 | 114.3° | 114.3° |
| OP4 | P1 | OP3 | CPR2 | 50.4° | 50.4° |
| OP4 | P1 | OP5 | H84 | 0.0° | 0.0° |
| N45 | C43 | O44 | C42 | 178.8° | 178.8° |
| N45 | C43 | C42 | C41 | 156.5° | 156.5° |
| N45 | C43 | C42 | H39 | 37.1° | 37.1° |
| N45 | C43 | C42 | H40 | 84.1° | 84.1° |
| C43 | N45 | H77 | H78 | 180.0° | 180.0° |
| CR3 | CR4 | OR6 | H67 | 116.3° | 116.3° |
| CR4 | CR3 | OP2 | CR2 | 109.2° | 109.2° |
| CR4 | CR3 | OP2 | H66 | 122.5° | 122.5° |
| CR4 | CR3 | CR2 | H66 | 119.2° | 119.2° |
| CR3 | CR4 | OR6 | CR1 | 2.4° | 2.4° |
| CR4 | CR3 | OP2 | P1 | 124.5° | 124.5° |
| CR4 | CR3 | CR2 | CR1 | 35.8° | 35.8° |
| CR4 | CR3 | CR2 | OR7 | 77.7° | 77.7° |
| CR4 | CR3 | CR2 | H65 | 155.8° | 155.8° |
| CR3 | CR4 | CR5 | H68 | 57.8° | 57.8° |
| CR3 | CR4 | CR5 | H69 | 62.2° | 62.2° |
| OR6 | CR4 | CR3 | OP2 | 138.9° | 138.9° |
| OR6 | CR4 | CR3 | CR2 | 21.5° | 21.5° |
| CR4 | OR6 | CR1 | CR2 | 25.1° | 25.1° |
| CR4 | OR6 | CR1 | NB1 | 138.0° | 138.0° |
| CR4 | OR6 | CR1 | H64 | 95.2° | 95.2° |
| OR6 | CR4 | CR3 | H66 | 97.7° | 97.7° |
| OR6 | CR4 | CR5 | H68 | 62.8° | 62.8° |
| OR6 | CR4 | CR5 | H69 | 177.3° | 177.3° |
| OP2 | CR3 | CR2 | H66 | 129.1° | 129.1° |
| CR3 | OP2 | P1 | OP5 | 87.5° | 87.5° |
| CR3 | OP2 | P1 | OP3 | 162.4° | 162.4° |
| OP2 | CR3 | CR2 | CR1 | 147.5° | 147.5° |
| OP2 | CR3 | CR2 | OR7 | 34.0° | 34.0° |
| OP2 | CR3 | CR2 | H65 | 92.5° | 92.5° |
| OP2 | CR3 | CR4 | H67 | 22.1° | 22.1° |
| CR3 | CR2 | CR1 | OR6 | 38.2° | 38.2° |
| CR2 | CR3 | OP2 | P1 | 126.3° | 126.3° |
| CR3 | CR2 | CR1 | OR7 | 115.3° | 115.3° |
| CR3 | CR2 | CR1 | H65 | 120.1° | 120.1° |
| CR3 | CR2 | CR1 | NB1 | 153.5° | 153.5° |
| CR3 | CR2 | OR7 | H65 | 125.5° | 125.5° |
| CR3 | CR2 | CR1 | H64 | 83.5° | 83.5° |
| CR2 | CR3 | CR4 | H67 | 95.3° | 95.3° |
| CR3 | CR2 | OR7 | H85 | 180.0° | 180.0° |
| OR6 | CR1 | CR2 | NB1 | 115.4° | 115.4° |
| OR6 | CR1 | CR2 | H64 | 121.7° | 121.7° |
| OR6 | CR1 | NB1 | H64 | 127.3° | 127.3° |
| OR6 | CR1 | CR2 | OR7 | 77.1° | 77.1° |
| OR6 | CR1 | NB1 | CB8 | 160.6° | 160.6° |
| OR6 | CR1 | NB1 | CB2 | 23.1° | 23.1° |
| OR6 | CR1 | CR2 | H65 | 158.2° | 158.2° |
| CR1 | OR6 | CR4 | H67 | 118.6° | 118.6° |
| OP5 | P1 | OP2 | OP3 | 110.1° | 110.1° |
| OP5 | P1 | OP3 | CPR2 | 178.4° | 178.4° |
| OP2 | P1 | OP3 | CPR2 | 66.6° | 66.6° |
| P1 | OP2 | CR3 | H66 | 1.9° | 1.9° |
| OP2 | P1 | OP5 | H84 | 129.1° | 129.1° |
| P1 | OP3 | CPR2 | CPR3 | 114.9° | 114.9° |
| P1 | OP3 | CPR2 | CPR1 | 125.1° | 125.1° |
| OP3 | P1 | OP5 | H84 | 121.7° | 121.7° |
| P1 | OP3 | CPR2 | H95 | 7.2° | 7.2° |
| C50 | C49 | C48 | H48 | 120.8° | 120.8° |
| C50 | C49 | C48 | H10 | 120.9° | 120.9° |
| C49 | C50 | O51 | N52 | 178.5° | 178.5° |
| C50 | C49 | C48 | C13 | 8.2° | 8.2° |
| C50 | C49 | C48 | H47 | 129.4° | 129.4° |
| C50 | C49 | H48 | H10 | 117.4° | 117.4° |
| C49 | C50 | N52 | H79 | 178.5° | 178.5° |
| C49 | C50 | N52 | H80 | 1.5° | 1.5° |
| C50 | C49 | C48 | H1 | 113.1° | 113.1° |
| C48 | C49 | C50 | O51 | 78.0° | 78.0° |
| C48 | C49 | C50 | N52 | 103.4° | 103.4° |
| C49 | C48 | C13 | H47 | 121.3° | 121.3° |
| C49 | C48 | C13 | H1 | 121.3° | 121.3° |
| C49 | C48 | C13 | C12 | 98.3° | 98.3° |
| C49 | C48 | C13 | C14 | 145.5° | 145.5° |
| C49 | C48 | C13 | H11 | 25.9° | 25.9° |
| C49 | C48 | H47 | H1 | 116.0° | 116.0° |
| C48 | C49 | H48 | H10 | 117.4° | 117.4° |
| CR2 | CR1 | NB1 | H64 | 122.2° | 122.2° |
| CR1 | CR2 | OR7 | H65 | 123.4° | 123.4° |
| CR2 | CR1 | NB1 | CB8 | 88.8° | 88.8° |
| CR2 | CR1 | NB1 | CB2 | 87.5° | 87.5° |
| CR1 | CR2 | CR3 | H66 | 83.4° | 83.4° |
| CR1 | CR2 | OR7 | H85 | 68.9° | 68.9° |
| NB1 | CR1 | CR2 | OR7 | 38.3° | 38.3° |
| CR1 | NB1 | CB8 | CB7 | 2.9° | 2.9° |
| CR1 | NB1 | CB8 | CB2 | 177.0° | 177.0° |
| CR1 | NB1 | CB8 | CB9 | 177.1° | 177.1° |
| CR1 | NB1 | CB2 | NB3 | 177.1° | 177.1° |
| CR1 | NB1 | CB2 | H3 | 2.9° | 2.9° |
| NB1 | CR1 | CR2 | H65 | 86.4° | 86.4° |
| O44 | C43 | C42 | C41 | 22.4° | 22.4° |
| O44 | C43 | C42 | H39 | 141.8° | 141.8° |
| O44 | C43 | C42 | H40 | 97.0° | 97.0° |
| O44 | C43 | N45 | H77 | 0.0° | 0.0° |
| O44 | C43 | N45 | H78 | 180.0° | 180.0° |
| C43 | C42 | C41 | H39 | 119.4° | 119.4° |
| C43 | C42 | C41 | H40 | 119.4° | 119.4° |
| C43 | C42 | C41 | C8 | 175.6° | 175.6° |
| C43 | C42 | C41 | H37 | 63.6° | 63.6° |
| C43 | C42 | C41 | H38 | 54.8° | 54.8° |
| C43 | C42 | H39 | H40 | 121.8° | 121.8° |
| C42 | C43 | N45 | H77 | 178.8° | 178.8° |
| C42 | C43 | N45 | H78 | 1.2° | 1.2° |
| CPR3 | CPR2 | OP3 | CPR1 | 120.0° | 120.0° |
| CPR3 | CPR2 | OP3 | H95 | 122.0° | 122.0° |
| CPR3 | CPR2 | CPR1 | H95 | 120.9° | 120.9° |
| CPR3 | CPR2 | CPR1 | N59 | 162.4° | 162.4° |
| CPR3 | CPR2 | CPR1 | H93 | 41.7° | 41.7° |
| CPR3 | CPR2 | CPR1 | H94 | 76.9° | 76.9° |
| CPR2 | CPR3 | H96 | H97 | 120.0° | 120.0° |
| CPR2 | CPR3 | H96 | H98 | 120.0° | 120.0° |
| CPR2 | CPR3 | H97 | H98 | 120.0° | 120.0° |
| CB11 | CB6 | CB7 | CB5 | 178.0° | 178.0° |
| CB11 | CB6 | CB7 | CB8 | 179.2° | 179.2° |
| CB11 | CB6 | CB5 | CB10 | 1.8° | 1.8° |
| CB11 | CB6 | CB5 | CB4 | 179.0° | 179.0° |
| CB11 | CB6 | CB7 | H63 | 0.8° | 0.8° |
| CB6 | CB11 | H90 | H91 | 120.0° | 120.0° |
| CB6 | CB11 | H90 | H92 | 120.0° | 120.0° |
| CB6 | CB11 | H91 | H92 | 120.0° | 120.0° |
| O51 | C50 | C49 | H48 | 42.8° | 42.8° |
| O51 | C50 | N52 | H79 | 0.0° | 0.0° |
| O51 | C50 | N52 | H80 | 180.0° | 180.0° |
| O51 | C50 | C49 | H10 | 161.1° | 161.1° |
| N52 | C50 | C49 | H48 | 135.7° | 135.7° |
| C50 | N52 | H79 | H80 | 180.0° | 180.0° |
| N52 | C50 | C49 | H10 | 17.4° | 17.4° |
| OR7 | CR2 | CR1 | H64 | 161.2° | 161.2° |
| OR7 | CR2 | CR3 | H66 | 163.1° | 163.1° |
| CB6 | CB7 | CB8 | H63 | 180.0° | 180.0° |
| CB6 | CB7 | CB8 | NB1 | 179.8° | 179.8° |
| CB6 | CB7 | CB8 | CB9 | 0.3° | 0.3° |
| CB7 | CB6 | CB5 | CB10 | 179.8° | 179.8° |
| CB7 | CB6 | CB5 | CB4 | 1.0° | 1.0° |
| CB7 | CB6 | CB11 | H90 | 89.1° | 89.1° |
| CB7 | CB6 | CB11 | H91 | 150.9° | 150.9° |
| CB7 | CB6 | CB11 | H92 | 30.9° | 30.9° |
| CB8 | CB7 | CB6 | CB5 | 1.2° | 1.2° |
| CB7 | CB8 | NB1 | CB9 | 179.9° | 179.9° |
| CB7 | CB8 | NB1 | CB2 | 179.9° | 179.9° |
| CB7 | CB8 | CB9 | CB4 | 0.7° | 0.7° |
| CB7 | CB8 | CB9 | NB3 | 179.9° | 179.9° |
| OP3 | CPR2 | CPR1 | H95 | 118.2° | 118.2° |
| OP3 | CPR2 | CPR1 | N59 | 41.5° | 41.5° |
| OP3 | CPR2 | CPR1 | H93 | 79.2° | 79.2° |
| OP3 | CPR2 | CPR1 | H94 | 162.2° | 162.2° |
| OP3 | CPR2 | CPR3 | H96 | 180.0° | 180.0° |
| OP3 | CPR2 | CPR3 | H97 | 60.0° | 60.0° |
| OP3 | CPR2 | CPR3 | H98 | 60.0° | 60.0° |
| CPR2 | CPR1 | N59 | H93 | 120.7° | 120.7° |
| CPR2 | CPR1 | N59 | H94 | 120.7° | 120.7° |
| CPR2 | CPR1 | N59 | C57 | 112.0° | 112.0° |
| CPR2 | CPR1 | N59 | H81 | 68.1° | 68.1° |
| CPR2 | CPR1 | H93 | H94 | 117.9° | 117.9° |
| CPR1 | CPR2 | CPR3 | H96 | 63.2° | 63.2° |
| CPR1 | CPR2 | CPR3 | H97 | 56.8° | 56.8° |
| CPR1 | CPR2 | CPR3 | H98 | 176.8° | 176.8° |
| C47 | C12 | C13 | C48 | 30.6° | 30.6° |
| C47 | C12 | C13 | C11 | 127.2° | 127.2° |
| C47 | C12 | C13 | C46 | 124.0° | 124.0° |
| C47 | C12 | C11 | C46 | 121.8° | 121.8° |
| C47 | C12 | C13 | C14 | 150.6° | 150.6° |
| C47 | C12 | C11 | C10 | 28.7° | 28.7° |
| C47 | C12 | C11 | N23 | 159.4° | 159.4° |
| C47 | C12 | C13 | H11 | 93.7° | 93.7° |
| C47 | C12 | C46 | H41 | 180.0° | 180.0° |
| C47 | C12 | C46 | H42 | 60.0° | 60.0° |
| C47 | C12 | C46 | H43 | 60.0° | 60.0° |
| C12 | C47 | H44 | H45 | 120.0° | 120.0° |
| C12 | C47 | H44 | H46 | 120.0° | 120.0° |
| C12 | C47 | H45 | H46 | 120.0° | 120.0° |
| C42 | C41 | C8 | H37 | 120.8° | 120.8° |
| C42 | C41 | C8 | H38 | 120.8° | 120.8° |
| C42 | C41 | C8 | C9 | 53.4° | 53.4° |
| C42 | C41 | C8 | C7 | 167.7° | 167.7° |
| C42 | C41 | H37 | H38 | 117.5° | 117.5° |
| C41 | C42 | H39 | H40 | 121.8° | 121.8° |
| C42 | C41 | C8 | H61 | 68.3° | 68.3° |
| C48 | C13 | C12 | C14 | 120.0° | 120.0° |
| C48 | C13 | C12 | H11 | 124.3° | 124.3° |
| C48 | C13 | C12 | C11 | 96.5° | 96.5° |
| C48 | C13 | C12 | C46 | 154.7° | 154.7° |
| C48 | C13 | C14 | H11 | 119.6° | 119.6° |
| C48 | C13 | C14 | N23 | 115.0° | 115.0° |
| C48 | C13 | C14 | C15 | 73.4° | 73.4° |
| C13 | C48 | H47 | H1 | 115.9° | 115.9° |
| C13 | C48 | C49 | H48 | 112.7° | 112.7° |
| C13 | C48 | C49 | H10 | 129.0° | 129.0° |
| CB6 | CB5 | CB10 | CB4 | 179.2° | 179.2° |
| CB6 | CB5 | CB4 | CB9 | 0.1° | 0.1° |
| CB6 | CB5 | CB4 | H62 | 180.0° | 180.0° |
| CB5 | CB6 | CB7 | H63 | 178.8° | 178.8° |
| CB6 | CB5 | CB10 | H87 | 90.4° | 90.4° |
| CB6 | CB5 | CB10 | H88 | 149.6° | 149.6° |
| CB6 | CB5 | CB10 | H89 | 29.6° | 29.6° |
| CB5 | CB6 | CB11 | H90 | 89.0° | 89.0° |
| CB5 | CB6 | CB11 | H91 | 31.0° | 31.0° |
| CB5 | CB6 | CB11 | H92 | 151.0° | 151.0° |
| CB8 | NB1 | CB2 | NB3 | 0.3° | 0.3° |
| NB1 | CB8 | CB9 | CB4 | 179.2° | 179.2° |
| NB1 | CB8 | CB9 | NB3 | 0.2° | 0.2° |
| CB8 | NB1 | CB2 | H3 | 179.7° | 179.7° |
| NB1 | CB8 | CB7 | H63 | 0.2° | 0.2° |
| CB8 | NB1 | CR1 | H64 | 33.4° | 33.4° |
| CB2 | NB1 | CB8 | CB9 | 0.0° | 0.0° |
| NB1 | CB2 | NB3 | H3 | 180.0° | 180.0° |
| NB1 | CB2 | NB3 | CB9 | 0.4° | 0.4° |
| NB1 | CB2 | NB3 | CO1 | 178.8° | 178.8° |
| CB2 | NB1 | CR1 | H64 | 150.3° | 150.3° |
| CB8 | CB9 | NB3 | CB2 | 0.3° | 0.3° |
| CB8 | CB9 | CB4 | CB5 | 0.9° | 0.9° |
| CB8 | CB9 | CB4 | NB3 | 179.3° | 179.3° |
| CB8 | CB9 | NB3 | CO1 | 178.8° | 178.8° |
| CB8 | CB9 | CB4 | H62 | 179.2° | 179.2° |
| CB9 | CB8 | CB7 | H63 | 179.7° | 179.7° |
| CPR1 | N59 | C57 | O58 | 1.4° | 1.4° |
| CPR1 | N59 | C57 | H81 | 180.0° | 180.0° |
| CPR1 | N59 | C57 | C56 | 177.3° | 177.3° |
| N59 | CPR1 | H93 | H94 | 117.9° | 117.9° |
| N59 | CPR1 | CPR2 | H95 | 76.7° | 76.7° |
| C13 | C12 | C11 | C46 | 110.9° | 110.9° |
| C12 | C13 | C14 | H11 | 115.5° | 115.5° |
| C13 | C12 | C11 | C10 | 156.0° | 156.0° |
| C13 | C12 | C11 | N23 | 32.0° | 32.0° |
| C12 | C13 | C14 | N23 | 10.0° | 10.0° |
| C12 | C13 | C14 | C15 | 161.6° | 161.6° |
| C13 | C12 | C46 | H41 | 51.8° | 51.8° |
| C13 | C12 | C46 | H42 | 68.2° | 68.2° |
| C13 | C12 | C46 | H43 | 171.8° | 171.8° |
| C13 | C12 | C47 | H44 | 180.0° | 180.0° |
| C13 | C12 | C47 | H45 | 60.0° | 60.0° |
| C13 | C12 | C47 | H46 | 60.0° | 60.0° |
| C12 | C13 | C48 | H47 | 23.0° | 23.0° |
| C12 | C13 | C48 | H1 | 140.4° | 140.4° |
| C11 | C12 | C13 | C14 | 23.4° | 23.4° |
| C12 | C11 | C10 | N23 | 170.7° | 170.7° |
| C12 | C11 | C10 | C9 | 158.6° | 158.6° |
| C12 | C11 | N23 | C14 | 27.5° | 27.5° |
| C12 | C11 | N23 | CO1 | 174.0° | 174.0° |
| C12 | C11 | C10 | H9 | 21.4° | 21.4° |
| C11 | C12 | C13 | H11 | 139.2° | 139.2° |
| C11 | C12 | C46 | H41 | 53.8° | 53.8° |
| C11 | C12 | C46 | H42 | 173.8° | 173.8° |
| C11 | C12 | C46 | H43 | 66.2° | 66.2° |
| C11 | C12 | C47 | H44 | 61.5° | 61.5° |
| C11 | C12 | C47 | H45 | 178.5° | 178.5° |
| C11 | C12 | C47 | H46 | 58.5° | 58.5° |
| C46 | C12 | C13 | C14 | 85.4° | 85.4° |
| C46 | C12 | C11 | C10 | 93.1° | 93.1° |
| C46 | C12 | C11 | N23 | 78.8° | 78.8° |
| C46 | C12 | C13 | H11 | 30.4° | 30.4° |
| C12 | C46 | H41 | H42 | 120.0° | 120.0° |
| C12 | C46 | H41 | H43 | 120.0° | 120.0° |
| C12 | C46 | H42 | H43 | 120.0° | 120.0° |
| C46 | C12 | C47 | H44 | 57.5° | 57.5° |
| C46 | C12 | C47 | H45 | 62.5° | 62.5° |
| C46 | C12 | C47 | H46 | 177.4° | 177.4° |
| CB2 | NB3 | CB9 | CB4 | 179.0° | 179.0° |
| CB2 | NB3 | CB9 | CO1 | 179.1° | 179.1° |
| CB2 | NB3 | CO1 | N23 | 42.1° | 42.1° |
| CB2 | NB3 | CO1 | N22 | 139.8° | 139.8° |
| CB2 | NB3 | CO1 | N24 | 46.6° | 46.6° |
| CB2 | NB3 | CO1 | N21 | 131.7° | 131.7° |
| CB2 | NB3 | CO1 | C1L | 136.8° | 136.8° |
| C13 | C14 | N23 | C11 | 10.2° | 10.2° |
| C13 | C14 | N23 | C15 | 171.1° | 171.1° |
| C13 | C14 | N23 | CO1 | 168.0° | 168.0° |
| C13 | C14 | C15 | C53 | 23.2° | 23.2° |
| C13 | C14 | C15 | C16 | 179.1° | 179.1° |
| C14 | C13 | C48 | H47 | 93.2° | 93.2° |
| C14 | C13 | C48 | H1 | 24.2° | 24.2° |
| CB10 | CB5 | CB4 | CB9 | 179.1° | 179.1° |
| CB10 | CB5 | CB4 | H62 | 0.8° | 0.8° |
| CB5 | CB10 | H87 | H88 | 120.0° | 120.0° |
| CB5 | CB10 | H87 | H89 | 120.0° | 120.0° |
| CB5 | CB10 | H88 | H89 | 119.9° | 119.9° |
| CB5 | CB4 | CB9 | H62 | 180.0° | 180.0° |
| CB5 | CB4 | CB9 | NB3 | 179.9° | 179.9° |
| CB4 | CB5 | CB10 | H87 | 90.4° | 90.4° |
| CB4 | CB5 | CB10 | H88 | 29.6° | 29.6° |
| CB4 | CB5 | CB10 | H89 | 149.6° | 149.6° |
| C41 | C8 | C9 | C10 | 87.7° | 87.7° |
| C41 | C8 | C9 | C7 | 122.3° | 122.3° |
| C41 | C8 | C9 | H61 | 121.5° | 121.5° |
| C41 | C8 | C7 | H61 | 124.1° | 124.0° |
| C41 | C8 | C9 | N22 | 95.6° | 95.6° |
| C41 | C8 | C7 | C36 | 39.1° | 39.1° |
| C41 | C8 | C7 | C6 | 89.7° | 89.7° |
| C41 | C8 | C7 | C37 | 159.1° | 159.1° |
| C8 | C41 | H37 | H38 | 117.5° | 117.5° |
| C8 | C41 | C42 | H39 | 56.2° | 56.2° |
| C8 | C41 | C42 | H40 | 65.0° | 65.0° |
| CB4 | CB9 | NB3 | CO1 | 1.9° | 1.9° |
| CB9 | NB3 | CO1 | N23 | 136.8° | 136.8° |
| CB9 | NB3 | CO1 | N22 | 39.1° | 39.1° |
| CB9 | NB3 | CO1 | N24 | 134.5° | 134.5° |
| CB9 | NB3 | CO1 | N21 | 49.4° | 49.4° |
| CB9 | NB3 | CO1 | C1L | 42.1° | 42.1° |
| CB9 | NB3 | CB2 | H3 | 179.6° | 179.6° |
| NB3 | CB9 | CB4 | H62 | 0.1° | 0.1° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 166.5° | 166.5° |
| C10 | C11 | N23 | C14 | 160.7° | 160.7° |
| C11 | C10 | C9 | N22 | 9.7° | 9.7° |
| C10 | C11 | N23 | CO1 | 2.2° | 2.2° |
| C9 | C10 | C11 | N23 | 12.1° | 12.1° |
| C10 | C9 | C8 | N22 | 176.7° | 176.7° |
| C10 | C9 | C8 | C7 | 150.0° | 150.0° |
| C10 | C9 | N22 | CO1 | 6.3° | 6.3° |
| C10 | C9 | N22 | C6 | 166.0° | 166.0° |
| C10 | C9 | C8 | H61 | 33.8° | 33.8° |
| C11 | N23 | CO1 | NB3 | 75.6° | 75.6° |
| C11 | N23 | C14 | CO1 | 157.9° | 157.9° |
| C11 | N23 | C14 | C15 | 178.8° | 178.8° |
| C11 | N23 | CO1 | N22 | 13.1° | 13.1° |
| C11 | N23 | CO1 | N24 | 170.4° | 170.4° |
| C11 | N23 | CO1 | N21 | 159.8° | 159.8° |
| C11 | N23 | CO1 | C1L | 97.9° | 97.9° |
| N23 | C11 | C10 | H9 | 167.9° | 167.9° |
| O58 | C57 | N59 | C56 | 175.8° | 175.8° |
| O58 | C57 | C56 | C55 | 57.7° | 57.7° |
| O58 | C57 | C56 | H57 | 61.7° | 61.7° |
| O58 | C57 | C56 | H58 | 177.1° | 177.1° |
| O58 | C57 | N59 | H81 | 178.5° | 178.5° |
| N59 | C57 | C56 | C55 | 118.3° | 118.3° |
| N59 | C57 | C56 | H57 | 122.3° | 122.3° |
| N59 | C57 | C56 | H58 | 1.1° | 1.1° |
| C57 | N59 | CPR1 | H93 | 127.3° | 127.3° |
| C57 | N59 | CPR1 | H94 | 8.7° | 8.7° |
| NB3 | CO1 | N23 | C14 | 79.6° | 79.6° |
| NB3 | CO1 | N22 | C9 | 72.4° | 72.4° |
| NB3 | CO1 | N23 | N22 | 88.8° | 88.8° |
| NB3 | CO1 | N23 | N24 | 94.8° | 94.8° |
| NB3 | CO1 | N23 | N21 | 124.5° | 124.5° |
| NB3 | CO1 | N23 | C1L | 173.6° | 173.6° |
| NB3 | CO1 | N22 | N24 | 121.4° | 121.4° |
| NB3 | CO1 | N22 | N21 | 96.8° | 96.8° |
| NB3 | CO1 | N22 | C1L | 179.7° | 179.7° |
| NB3 | CO1 | N22 | C6 | 116.8° | 116.8° |
| NB3 | CO1 | N24 | N21 | 96.4° | 96.4° |
| NB3 | CO1 | N24 | C1L | 179.6° | 179.6° |
| NB3 | CO1 | N21 | C1L | 173.5° | 173.5° |
| NB3 | CO1 | N24 | C16 | 82.9° | 82.9° |
| NB3 | CO1 | N24 | C19 | 109.6° | 109.6° |
| NB3 | CO1 | N21 | C1 | 79.8° | 79.8° |
| NB3 | CO1 | N21 | C4 | 117.6° | 117.6° |
| NB3 | CO1 | C1L | C2L | 29.9° | 29.9° |
| CO1 | NB3 | CB2 | H3 | 1.2° | 1.2° |
| C57 | C56 | C55 | H57 | 119.4° | 119.4° |
| C57 | C56 | C55 | H58 | 119.4° | 119.4° |
| C57 | C56 | C55 | C17 | 154.5° | 154.5° |
| C57 | C56 | C55 | H55 | 84.8° | 84.8° |
| C57 | C56 | C55 | H56 | 33.8° | 33.8° |
| C57 | C56 | H57 | H58 | 121.8° | 121.8° |
| C56 | C57 | N59 | H81 | 2.7° | 2.7° |
| C9 | C8 | C7 | H61 | 116.3° | 116.4° |
| C8 | C9 | N22 | CO1 | 177.1° | 177.1° |
| C8 | C9 | N22 | C6 | 10.6° | 10.6° |
| C9 | C8 | C7 | C36 | 158.7° | 158.7° |
| C9 | C8 | C7 | C6 | 30.0° | 30.0° |
| C9 | C8 | C7 | C37 | 81.3° | 81.3° |
| C8 | C9 | C10 | H9 | 13.5° | 13.5° |
| C9 | C8 | C41 | H37 | 174.2° | 174.2° |
| C9 | C8 | C41 | H38 | 67.4° | 67.4° |
| C7 | C8 | C9 | N22 | 26.7° | 26.7° |
| C8 | C7 | C6 | N22 | 26.1° | 26.1° |
| C8 | C7 | C36 | C6 | 115.4° | 115.4° |
| C8 | C7 | C36 | C37 | 120.0° | 120.0° |
| C8 | C7 | C6 | C37 | 114.0° | 114.0° |
| C8 | C7 | C37 | C38 | 67.7° | 67.7° |
| C8 | C7 | C6 | C5 | 167.9° | 167.9° |
| C8 | C7 | C36 | H32 | 180.0° | 180.0° |
| C8 | C7 | C36 | H33 | 60.0° | 60.0° |
| C8 | C7 | C36 | H34 | 60.0° | 60.0° |
| C8 | C7 | C37 | H35 | 172.0° | 172.0° |
| C8 | C7 | C37 | H36 | 52.6° | 52.6° |
| C7 | C8 | C41 | H37 | 71.6° | 71.6° |
| C7 | C8 | C41 | H38 | 46.8° | 46.8° |
| N23 | C14 | C15 | C53 | 146.6° | 146.6° |
| N23 | C14 | C15 | C16 | 9.3° | 9.3° |
| C14 | N23 | CO1 | N22 | 168.3° | 168.3° |
| C14 | N23 | CO1 | N24 | 15.2° | 15.2° |
| C14 | N23 | CO1 | N21 | 45.0° | 45.0° |
| C14 | N23 | CO1 | C1L | 106.9° | 106.9° |
| N23 | C14 | C13 | H11 | 125.5° | 125.5° |
| C15 | C14 | N23 | CO1 | 20.9° | 20.9° |
| C14 | C15 | C53 | C16 | 156.2° | 156.2° |
| C14 | C15 | C16 | N24 | 3.6° | 3.6° |
| C14 | C15 | C16 | C17 | 175.8° | 175.8° |
| C15 | C14 | C13 | H11 | 46.1° | 46.1° |
| C14 | C15 | C53 | H49 | 180.0° | 180.0° |
| C14 | C15 | C53 | H50 | 60.0° | 60.0° |
| C14 | C15 | C53 | H51 | 60.0° | 60.0° |
| C9 | N22 | CO1 | N23 | 14.9° | 14.9° |
| C9 | N22 | CO1 | C6 | 170.8° | 170.8° |
| C9 | N22 | C6 | C7 | 10.6° | 10.6° |
| C9 | N22 | CO1 | N24 | 166.2° | 166.2° |
| C9 | N22 | CO1 | N21 | 169.2° | 169.2° |
| C9 | N22 | CO1 | C1L | 107.2° | 107.2° |
| C9 | N22 | C6 | C5 | 177.6° | 177.6° |
| N22 | C9 | C10 | H9 | 170.3° | 170.3° |
| N22 | C9 | C8 | H61 | 142.9° | 142.9° |
| N23 | CO1 | N22 | N24 | 151.3° | 151.3° |
| N23 | CO1 | N22 | N21 | 175.9° | 175.9° |
| N23 | CO1 | N22 | C1L | 92.3° | 92.3° |
| N23 | CO1 | N22 | C6 | 155.9° | 155.9° |
| N23 | CO1 | N24 | N21 | 176.3° | 176.3° |
| N23 | CO1 | N24 | C1L | 93.0° | 93.0° |
| N23 | CO1 | N21 | C1L | 62.5° | 62.5° |
| N23 | CO1 | N24 | C16 | 4.5° | 4.5° |
| N23 | CO1 | N24 | C19 | 163.0° | 163.0° |
| N23 | CO1 | N21 | C1 | 44.3° | 44.3° |
| N23 | CO1 | N21 | C4 | 118.4° | 118.4° |
| N23 | CO1 | C1L | C2L | 124.3° | 124.3° |
| C53 | C15 | C16 | N24 | 159.1° | 159.1° |
| C53 | C15 | C16 | C17 | 20.4° | 20.4° |
| C15 | C53 | H49 | H50 | 120.0° | 120.0° |
| C15 | C53 | H49 | H51 | 120.0° | 120.0° |
| C15 | C53 | H50 | H51 | 120.0° | 120.0° |
| C56 | C55 | C17 | C16 | 43.6° | 43.6° |
| C56 | C55 | C17 | H55 | 120.7° | 120.7° |
| C56 | C55 | C17 | H56 | 120.7° | 120.7° |
| C56 | C55 | C17 | C18 | 65.8° | 65.8° |
| C56 | C55 | C17 | C54 | 173.9° | 173.9° |
| C56 | C55 | H55 | H56 | 117.8° | 117.8° |
| C55 | C56 | H57 | H58 | 121.8° | 121.8° |
| C15 | C16 | N24 | CO1 | 4.0° | 4.0° |
| C15 | C16 | N24 | C17 | 179.5° | 179.5° |
| C15 | C16 | C17 | C55 | 47.6° | 47.6° |
| C15 | C16 | N24 | C19 | 171.8° | 171.8° |
| C15 | C16 | C17 | C18 | 162.3° | 162.3° |
| C15 | C16 | C17 | C54 | 81.2° | 81.2° |
| C16 | C15 | C53 | H49 | 23.8° | 23.8° |
| C16 | C15 | C53 | H50 | 143.7° | 143.7° |
| C16 | C15 | C53 | H51 | 96.2° | 96.2° |
| O39 | C38 | C37 | C7 | 74.0° | 74.0° |
| O39 | C38 | C37 | N40 | 177.6° | 177.6° |
| O39 | C38 | C37 | H35 | 165.7° | 165.7° |
| O39 | C38 | C37 | H36 | 46.3° | 46.3° |
| O39 | C38 | N40 | H75 | 0.0° | 0.0° |
| O39 | C38 | N40 | H76 | 180.0° | 180.0° |
| CO1 | N22 | C6 | C7 | 161.0° | 161.0° |
| N22 | CO1 | N24 | N21 | 24.7° | 24.7° |
| N22 | CO1 | N24 | C1L | 58.5° | 58.5° |
| N22 | CO1 | N21 | C1L | 84.5° | 84.5° |
| N22 | CO1 | N24 | C16 | 156.0° | 156.0° |
| CO1 | N22 | C6 | C5 | 6.0° | 6.0° |
| N22 | CO1 | N24 | C19 | 11.5° | 11.5° |
| N22 | CO1 | N21 | C1 | 168.7° | 168.7° |
| N22 | CO1 | N21 | C4 | 28.6° | 28.6° |
| N22 | CO1 | C1L | C2L | 26.9° | 26.9° |
| N22 | C6 | C7 | C36 | 145.8° | 145.8° |
| N22 | C6 | C7 | C5 | 165.9° | 165.9° |
| N22 | C6 | C7 | C37 | 87.9° | 87.9° |
| C6 | N22 | CO1 | N24 | 4.6° | 4.6° |
| C6 | N22 | CO1 | N21 | 20.0° | 20.0° |
| C6 | N22 | CO1 | C1L | 63.5° | 63.5° |
| N22 | C6 | C5 | C4 | 9.3° | 9.3° |
| N22 | C6 | C5 | C35 | 172.1° | 172.1° |
| C36 | C7 | C6 | C37 | 126.3° | 126.3° |
| C36 | C7 | C37 | C38 | 51.8° | 51.8° |
| C36 | C7 | C6 | C5 | 48.3° | 48.3° |
| C7 | C36 | H32 | H33 | 120.0° | 120.0° |
| C7 | C36 | H32 | H34 | 120.0° | 120.0° |
| C7 | C36 | H33 | H34 | 120.0° | 120.0° |
| C36 | C7 | C37 | H35 | 68.6° | 68.6° |
| C36 | C7 | C37 | H36 | 172.0° | 172.0° |
| C36 | C7 | C8 | H61 | 85.0° | 84.9° |
| C6 | C7 | C37 | C38 | 174.9° | 174.9° |
| C7 | C6 | C5 | C4 | 173.6° | 173.6° |
| C7 | C6 | C5 | C35 | 7.9° | 7.9° |
| C6 | C7 | C36 | H32 | 64.6° | 64.6° |
| C6 | C7 | C36 | H33 | 175.4° | 175.4° |
| C6 | C7 | C36 | H34 | 55.4° | 55.4° |
| C6 | C7 | C37 | H35 | 64.7° | 64.7° |
| C6 | C7 | C37 | H36 | 54.7° | 54.7° |
| C6 | C7 | C8 | H61 | 146.3° | 146.3° |
| C7 | C37 | C38 | H35 | 120.3° | 120.3° |
| C7 | C37 | C38 | H36 | 120.3° | 120.3° |
| C7 | C37 | C38 | N40 | 108.4° | 108.4° |
| C37 | C7 | C6 | C5 | 78.0° | 78.0° |
| C37 | C7 | C36 | H32 | 60.0° | 60.0° |
| C37 | C7 | C36 | H33 | 60.0° | 60.0° |
| C37 | C7 | C36 | H34 | 180.0° | 180.0° |
| C7 | C37 | H35 | H36 | 119.1° | 119.1° |
| C37 | C7 | C8 | H61 | 35.1° | 35.1° |
| N24 | CO1 | N21 | C1L | 92.3° | 92.3° |
| CO1 | N24 | C16 | C19 | 167.8° | 167.8° |
| CO1 | N24 | C16 | C17 | 175.5° | 175.5° |
| N24 | CO1 | N21 | C1 | 14.4° | 14.4° |
| N24 | CO1 | N21 | C4 | 148.2° | 148.2° |
| N24 | CO1 | C1L | C2L | 146.7° | 146.7° |
| CO1 | N24 | C19 | C18 | 158.8° | 158.8° |
| CO1 | N24 | C19 | C1 | 35.1° | 35.1° |
| CO1 | N24 | C19 | H16 | 84.2° | 84.2° |
| N21 | CO1 | N24 | C16 | 179.3° | 179.3° |
| N21 | CO1 | N24 | C19 | 13.2° | 13.2° |
| CO1 | N21 | C1 | C20 | 78.3° | 78.3° |
| CO1 | N21 | C1 | C4 | 165.4° | 165.4° |
| N21 | CO1 | C1L | C2L | 62.3° | 62.3° |
| CO1 | N21 | C4 | C5 | 23.3° | 23.3° |
| CO1 | N21 | C1 | C19 | 36.1° | 36.1° |
| CO1 | N21 | C1 | C2 | 159.9° | 159.9° |
| CO1 | N21 | C4 | C3 | 175.7° | 175.7° |
| C1L | CO1 | N24 | C16 | 97.5° | 97.5° |
| C1L | CO1 | N24 | C19 | 70.0° | 70.0° |
| C1L | CO1 | N21 | C1 | 106.7° | 106.7° |
| C1L | CO1 | N21 | C4 | 55.9° | 55.9° |
| CO1 | C1L | C2L | C01 | 14.8° | 14.8° |
| N24 | C16 | C17 | C55 | 133.0° | 133.0° |
| N24 | C16 | C17 | C18 | 18.2° | 18.2° |
| N24 | C16 | C17 | C54 | 98.3° | 98.3° |
| C16 | N24 | C19 | C18 | 30.5° | 30.5° |
| C16 | N24 | C19 | C1 | 154.2° | 154.2° |
| C16 | N24 | C19 | H16 | 86.4° | 86.4° |
| C16 | C17 | C55 | C18 | 109.4° | 109.4° |
| C16 | C17 | C55 | C54 | 130.3° | 130.3° |
| C17 | C16 | N24 | C19 | 7.7° | 7.7° |
| C16 | C17 | C18 | C54 | 117.6° | 117.6° |
| C16 | C17 | C18 | C19 | 35.6° | 35.6° |
| C16 | C17 | C18 | C60 | 164.8° | 164.8° |
| C16 | C17 | C18 | H15 | 76.5° | 76.5° |
| C16 | C17 | C54 | H52 | 180.0° | 180.0° |
| C16 | C17 | C54 | H53 | 60.0° | 60.0° |
| C16 | C17 | C54 | H54 | 60.0° | 60.0° |
| C16 | C17 | C55 | H55 | 164.4° | 164.3° |
| C16 | C17 | C55 | H56 | 77.1° | 77.1° |
| C38 | C37 | H35 | H36 | 119.0° | 119.0° |
| C37 | C38 | N40 | H75 | 177.6° | 177.6° |
| C37 | C38 | N40 | H76 | 2.4° | 2.4° |
| N40 | C38 | C37 | H35 | 11.9° | 11.9° |
| N40 | C38 | C37 | H36 | 131.3° | 131.3° |
| C38 | N40 | H75 | H76 | 180.0° | 180.0° |
| C6 | C5 | C4 | N21 | 1.6° | 1.6° |
| C6 | C5 | C4 | C35 | 178.7° | 178.7° |
| C6 | C5 | C4 | C3 | 148.8° | 148.8° |
| C6 | C5 | C35 | H29 | 180.0° | 180.0° |
| C6 | C5 | C35 | H30 | 60.0° | 60.0° |
| C6 | C5 | C35 | H31 | 60.0° | 60.0° |
| C55 | C17 | C18 | C54 | 119.0° | 119.0° |
| C55 | C17 | C18 | C19 | 159.0° | 159.0° |
| C55 | C17 | C18 | C60 | 71.9° | 71.9° |
| C55 | C17 | C18 | H15 | 46.9° | 46.9° |
| C55 | C17 | C54 | H52 | 46.4° | 46.4° |
| C55 | C17 | C54 | H53 | 73.6° | 73.6° |
| C55 | C17 | C54 | H54 | 166.4° | 166.4° |
| C17 | C55 | H55 | H56 | 117.8° | 117.8° |
| C17 | C55 | C56 | H57 | 35.1° | 35.1° |
| C17 | C55 | C56 | H58 | 86.1° | 86.1° |
| N24 | C19 | C1 | C20 | 75.4° | 75.4° |
| N24 | C19 | C18 | C17 | 40.9° | 40.9° |
| N24 | C19 | C1 | N21 | 42.9° | 42.9° |
| N24 | C19 | C18 | C1 | 113.4° | 113.4° |
| N24 | C19 | C18 | H16 | 117.5° | 117.5° |
| N24 | C19 | C18 | C60 | 170.3° | 170.3° |
| N24 | C19 | C1 | H16 | 120.1° | 120.1° |
| N24 | C19 | C1 | C2 | 150.8° | 150.8° |
| N24 | C19 | C18 | H15 | 71.1° | 71.1° |
| C20 | C1 | N21 | C19 | 114.3° | 114.3° |
| C20 | C1 | N21 | C2 | 121.8° | 121.8° |
| C20 | C1 | N21 | C4 | 116.3° | 116.3° |
| C20 | C1 | C19 | C18 | 35.3° | 35.3° |
| C20 | C1 | C19 | C2 | 133.8° | 133.8° |
| C20 | C1 | C2 | C3 | 89.8° | 89.8° |
| C20 | C1 | C2 | C25 | 33.8° | 33.8° |
| C20 | C1 | C2 | C26 | 161.5° | 161.5° |
| C20 | C1 | C19 | H16 | 164.5° | 164.5° |
| C1 | C20 | H17 | H18 | 120.0° | 120.0° |
| C1 | C20 | H17 | H19 | 120.0° | 120.0° |
| C1 | C20 | H18 | H19 | 120.0° | 120.0° |
| C17 | C18 | C19 | C60 | 129.4° | 129.4° |
| C17 | C18 | C19 | H15 | 112.0° | 112.0° |
| C17 | C18 | C60 | H15 | 118.7° | 118.7° |
| C17 | C18 | C19 | C1 | 154.3° | 154.3° |
| C17 | C18 | C60 | C61 | 116.3° | 116.3° |
| C17 | C18 | C19 | H16 | 76.6° | 76.6° |
| C18 | C17 | C54 | H52 | 71.7° | 71.7° |
| C18 | C17 | C54 | H53 | 168.3° | 168.3° |
| C18 | C17 | C54 | H54 | 48.3° | 48.3° |
| C18 | C17 | C55 | H55 | 55.0° | 54.9° |
| C18 | C17 | C55 | H56 | 173.5° | 173.5° |
| C17 | C18 | C60 | H59 | 4.7° | 4.7° |
| C17 | C18 | C60 | H60 | 122.7° | 122.7° |
| C54 | C17 | C18 | C19 | 82.0° | 82.0° |
| C54 | C17 | C18 | C60 | 47.1° | 47.1° |
| C54 | C17 | C18 | H15 | 165.9° | 165.9° |
| C17 | C54 | H52 | H53 | 120.0° | 120.0° |
| C17 | C54 | H52 | H54 | 120.0° | 120.0° |
| C17 | C54 | H53 | H54 | 120.0° | 120.0° |
| C54 | C17 | C55 | H55 | 65.3° | 65.4° |
| C54 | C17 | C55 | H56 | 53.2° | 53.2° |
| C1 | N21 | C4 | C5 | 173.9° | 173.9° |
| N21 | C1 | C19 | C18 | 153.6° | 153.6° |
| N21 | C1 | C19 | C2 | 107.9° | 107.9° |
| C1 | N21 | C4 | C3 | 21.5° | 21.5° |
| N21 | C1 | C2 | C3 | 29.1° | 29.1° |
| N21 | C1 | C2 | C25 | 152.7° | 152.7° |
| N21 | C1 | C2 | C26 | 79.6° | 79.6° |
| N21 | C1 | C19 | H16 | 77.2° | 77.2° |
| N21 | C1 | C20 | H17 | 180.0° | 180.0° |
| N21 | C1 | C20 | H18 | 60.0° | 60.0° |
| N21 | C1 | C20 | H19 | 60.0° | 60.0° |
| N21 | C4 | C5 | C3 | 150.4° | 150.4° |
| N21 | C4 | C5 | C35 | 179.7° | 179.7° |
| C4 | N21 | C1 | C19 | 129.4° | 129.4° |
| C4 | N21 | C1 | C2 | 5.5° | 5.5° |
| N21 | C4 | C3 | C30 | 88.1° | 88.1° |
| N21 | C4 | C3 | C2 | 37.7° | 37.7° |
| N21 | C4 | C3 | H2 | 149.6° | 149.6° |
| C1L | C2L | C01 | N01 | 74.8° | 74.8° |
| C1L | C2L | C01 | O01 | 102.1° | 102.1° |
| O33 | C32 | C31 | C30 | 50.1° | 50.1° |
| O33 | C32 | N34 | C31 | 179.7° | 179.7° |
| O33 | C32 | C31 | H27 | 171.5° | 171.5° |
| O33 | C32 | C31 | H28 | 71.2° | 71.2° |
| O33 | C32 | N34 | H73 | 0.0° | 0.0° |
| O33 | C32 | N34 | H74 | 180.0° | 180.0° |
| O62 | C61 | C60 | C18 | 7.3° | 7.3° |
| O62 | C61 | C60 | N63 | 178.5° | 178.5° |
| O62 | C61 | C60 | H59 | 113.7° | 113.7° |
| O62 | C61 | C60 | H60 | 128.3° | 128.3° |
| O62 | C61 | N63 | H82 | 0.0° | 0.0° |
| O62 | C61 | N63 | H83 | 180.0° | 180.0° |
| C5 | C4 | C3 | C30 | 65.9° | 65.9° |
| C5 | C4 | C3 | C2 | 168.3° | 168.3° |
| C5 | C4 | C3 | H2 | 56.4° | 56.4° |
| C4 | C5 | C35 | H29 | 1.4° | 1.4° |
| C4 | C5 | C35 | H30 | 121.4° | 121.4° |
| C4 | C5 | C35 | H31 | 118.7° | 118.6° |
| C35 | C5 | C4 | C3 | 29.9° | 29.9° |
| C5 | C35 | H29 | H30 | 120.0° | 120.0° |
| C5 | C35 | H29 | H31 | 120.0° | 120.0° |
| C5 | C35 | H30 | H31 | 120.0° | 120.0° |
| C19 | C18 | C60 | H15 | 118.8° | 118.8° |
| C18 | C19 | C1 | H16 | 129.2° | 129.2° |
| C18 | C19 | C1 | C2 | 98.5° | 98.5° |
| C19 | C18 | C60 | C61 | 121.2° | 121.2° |
| C19 | C18 | C60 | H59 | 117.8° | 117.8° |
| C19 | C18 | C60 | H60 | 0.2° | 0.2° |
| C60 | C18 | C19 | C1 | 76.3° | 76.3° |
| C18 | C60 | C61 | H59 | 121.0° | 121.0° |
| C18 | C60 | C61 | H60 | 121.0° | 121.0° |
| C18 | C60 | C61 | N63 | 171.2° | 171.2° |
| C60 | C18 | C19 | H16 | 52.7° | 52.7° |
| C18 | C60 | H59 | H60 | 116.8° | 116.8° |
| C19 | C1 | C2 | C3 | 140.5° | 140.5° |
| C19 | C1 | C2 | C25 | 95.8° | 95.8° |
| C19 | C1 | C2 | C26 | 31.9° | 31.9° |
| C1 | C19 | C18 | H15 | 42.4° | 42.4° |
| C19 | C1 | C20 | H17 | 66.9° | 66.9° |
| C19 | C1 | C20 | H18 | 173.1° | 173.1° |
| C19 | C1 | C20 | H19 | 53.1° | 53.1° |
| C1 | C2 | C3 | C4 | 39.1° | 39.1° |
| C1 | C2 | C3 | C30 | 84.2° | 84.2° |
| C1 | C2 | C3 | C25 | 122.2° | 122.2° |
| C1 | C2 | C3 | C26 | 115.9° | 115.9° |
| C1 | C2 | C25 | C26 | 126.5° | 126.5° |
| C1 | C2 | C26 | C27 | 171.7° | 171.7° |
| C1 | C2 | C3 | H2 | 151.4° | 151.4° |
| C2 | C1 | C19 | H16 | 30.7° | 30.7° |
| C2 | C1 | C20 | H17 | 69.2° | 69.2° |
| C2 | C1 | C20 | H18 | 50.7° | 50.7° |
| C2 | C1 | C20 | H19 | 170.8° | 170.8° |
| C1 | C2 | C25 | H20 | 180.0° | 180.0° |
| C1 | C2 | C25 | H21 | 60.0° | 60.0° |
| C1 | C2 | C25 | H22 | 60.0° | 60.0° |
| C1 | C2 | C26 | H23 | 67.2° | 67.2° |
| C1 | C2 | C26 | H24 | 50.5° | 50.5° |
| C02 | C03 | C04 | H5 | 109.5° | 109.5° |
| C02 | C03 | C04 | H6 | 109.5° | 109.5° |
| C03 | C02 | C04 | N01 | 104.6° | 104.6° |
| C03 | C02 | C04 | H4 | 107.8° | 107.8° |
| C03 | C02 | N01 | H4 | 145.9° | 145.9° |
| C03 | C02 | N01 | C01 | 138.0° | 138.0° |
| C02 | C03 | H5 | H6 | 144.6° | 144.6° |
| C02 | C03 | C04 | H7 | 109.4° | 109.4° |
| C02 | C03 | C04 | H8 | 109.4° | 109.4° |
| C03 | C02 | N01 | H70 | 42.1° | 42.1° |
| C04 | C03 | H5 | H6 | 144.7° | 144.7° |
| C03 | C04 | H7 | H8 | 144.9° | 144.9° |
| C4 | C3 | C30 | C2 | 112.7° | 112.7° |
| C4 | C3 | C30 | H2 | 122.7° | 122.7° |
| C4 | C3 | C30 | C31 | 151.8° | 151.8° |
| C4 | C3 | C2 | H2 | 112.2° | 112.2° |
| C4 | C3 | C2 | C25 | 161.3° | 161.3° |
| C4 | C3 | C2 | C26 | 76.8° | 76.8° |
| C4 | C3 | C30 | H25 | 31.6° | 31.6° |
| C4 | C3 | C30 | H26 | 87.9° | 87.9° |
| C3 | C30 | C31 | H25 | 120.3° | 120.3° |
| C3 | C30 | C31 | H26 | 120.3° | 120.3° |
| C3 | C30 | C31 | C32 | 173.7° | 173.7° |
| C30 | C3 | C2 | H2 | 124.4° | 124.4° |
| C30 | C3 | C2 | C25 | 38.0° | 38.0° |
| C30 | C3 | C2 | C26 | 159.9° | 159.9° |
| C3 | C30 | H25 | H26 | 119.3° | 119.3° |
| C3 | C30 | C31 | H27 | 65.0° | 65.0° |
| C3 | C30 | C31 | H28 | 52.3° | 52.3° |
| C30 | C31 | C32 | N34 | 130.2° | 130.2° |
| C30 | C31 | C32 | H27 | 121.4° | 121.4° |
| C30 | C31 | C32 | H28 | 121.3° | 121.3° |
| C31 | C30 | C3 | C2 | 95.4° | 95.4° |
| C31 | C30 | C3 | H2 | 29.1° | 29.1° |
| C31 | C30 | H25 | H26 | 119.3° | 119.3° |
| C30 | C31 | H27 | H28 | 115.7° | 115.7° |
| C04 | C02 | N01 | H4 | 147.2° | 147.2° |
| C04 | C02 | N01 | C01 | 155.1° | 155.1° |
| C02 | C04 | H7 | H8 | 144.9° | 144.9° |
| C04 | C02 | N01 | H70 | 24.9° | 24.9° |
| C02 | N01 | C01 | C2L | 2.4° | 2.4° |
| C02 | N01 | C01 | H70 | 180.0° | 180.0° |
| C02 | N01 | C01 | O01 | 179.1° | 179.1° |
| N01 | C02 | C03 | H5 | 144.2° | 144.2° |
| N01 | C02 | C03 | H6 | 3.3° | 3.3° |
| N01 | C02 | C04 | H7 | 146.0° | 146.0° |
| N01 | C02 | C04 | H8 | 4.7° | 4.7° |
| N34 | C32 | C31 | H27 | 8.8° | 8.8° |
| N34 | C32 | C31 | H28 | 108.5° | 108.5° |
| C32 | N34 | H73 | H74 | 180.0° | 180.0° |
| C32 | C31 | C30 | H25 | 53.4° | 53.4° |
| C32 | C31 | C30 | H26 | 66.1° | 66.1° |
| C32 | C31 | H27 | H28 | 115.7° | 115.7° |
| C31 | C32 | N34 | H73 | 179.7° | 179.7° |
| C31 | C32 | N34 | H74 | 0.3° | 0.3° |
| C2L | C01 | N01 | O01 | 176.6° | 176.6° |
| C2L | C01 | N01 | H70 | 177.6° | 177.6° |
| C61 | C60 | C18 | H15 | 2.5° | 2.5° |
| C61 | C60 | H59 | H60 | 116.9° | 116.9° |
| C60 | C61 | N63 | H82 | 178.6° | 178.6° |
| C60 | C61 | N63 | H83 | 1.5° | 1.5° |
| N63 | C61 | C60 | H59 | 67.9° | 67.9° |
| N63 | C61 | C60 | H60 | 50.2° | 50.2° |
| C61 | N63 | H82 | H83 | 180.0° | 180.0° |
| C3 | C2 | C25 | C26 | 114.7° | 114.7° |
| C3 | C2 | C26 | C27 | 60.3° | 60.3° |
| C3 | C2 | C25 | H20 | 61.3° | 61.3° |
| C3 | C2 | C25 | H21 | 58.7° | 58.7° |
| C3 | C2 | C25 | H22 | 178.7° | 178.7° |
| C3 | C2 | C26 | H23 | 178.6° | 178.6° |
| C3 | C2 | C26 | H24 | 60.9° | 60.9° |
| C2 | C3 | C30 | H25 | 144.4° | 144.4° |
| C2 | C3 | C30 | H26 | 24.8° | 24.8° |
| C25 | C2 | C26 | C27 | 61.8° | 61.8° |
| C25 | C2 | C3 | H2 | 86.5° | 86.5° |
| C2 | C25 | H20 | H21 | 120.0° | 120.0° |
| C2 | C25 | H20 | H22 | 120.0° | 120.0° |
| C2 | C25 | H21 | H22 | 120.0° | 120.0° |
| C25 | C2 | C26 | H23 | 59.4° | 59.4° |
| C25 | C2 | C26 | H24 | 177.1° | 177.1° |
| C2 | C26 | C27 | H23 | 121.2° | 121.2° |
| C2 | C26 | C27 | H24 | 121.1° | 121.1° |
| C2 | C26 | C27 | N29 | 136.3° | 136.3° |
| C2 | C26 | C27 | O28 | 45.4° | 45.4° |
| C26 | C2 | C3 | H2 | 35.4° | 35.4° |
| C26 | C2 | C25 | H20 | 53.5° | 53.5° |
| C26 | C2 | C25 | H21 | 173.5° | 173.5° |
| C26 | C2 | C25 | H22 | 66.5° | 66.5° |
| C2 | C26 | H23 | H24 | 116.4° | 116.4° |
| C01 | N01 | C02 | H4 | 7.9° | 7.9° |
| O01 | C01 | N01 | H70 | 1.0° | 1.0° |
| C26 | C27 | N29 | O28 | 178.3° | 178.3° |
| C27 | C26 | H23 | H24 | 116.3° | 116.3° |
| C26 | C27 | N29 | H71 | 178.3° | 178.3° |
| C26 | C27 | N29 | H72 | 1.7° | 1.7° |
| N29 | C27 | C26 | H23 | 102.5° | 102.5° |
| N29 | C27 | C26 | H24 | 15.2° | 15.2° |
| C27 | N29 | H71 | H72 | 180.0° | 180.0° |
| O28 | C27 | C26 | H23 | 75.7° | 75.7° |
| O28 | C27 | C26 | H24 | 166.6° | 166.6° |
| O28 | C27 | N29 | H71 | 0.0° | 0.0° |
| O28 | C27 | N29 | H72 | 180.0° | 180.0° |
| H2 | C3 | C30 | H25 | 91.1° | 91.1° |
| H2 | C3 | C30 | H26 | 149.4° | 149.4° |
| H4 | C02 | C03 | H5 | 2.0° | 2.0° |
| H4 | C02 | C03 | H6 | 142.9° | 142.9° |
| H4 | C02 | C04 | H7 | 1.6° | 1.6° |
| H4 | C02 | C04 | H8 | 142.8° | 142.8° |
| H4 | C02 | N01 | H70 | 172.1° | 172.1° |
| H5 | C03 | C04 | H7 | 0.1° | 0.1° |
| H5 | C03 | C04 | H8 | 141.1° | 141.1° |
| H6 | C03 | C04 | H7 | 141.1° | 141.1° |
| H6 | C03 | C04 | H8 | 0.1° | 0.1° |
| H11 | C13 | C48 | H47 | 147.2° | 147.2° |
| H11 | C13 | C48 | H1 | 95.4° | 95.4° |
| H15 | C18 | C19 | H16 | 171.4° | 171.4° |
| H15 | C18 | C60 | H59 | 123.5° | 123.5° |
| H15 | C18 | C60 | H60 | 118.5° | 118.5° |
| H17 | C20 | H18 | H19 | 120.0° | 120.0° |
| H20 | C25 | H21 | H22 | 120.0° | 120.0° |
| H25 | C30 | C31 | H27 | 174.7° | 174.7° |
| H25 | C30 | C31 | H28 | 67.9° | 67.9° |
| H26 | C30 | C31 | H27 | 55.2° | 55.2° |
| H26 | C30 | C31 | H28 | 172.6° | 172.6° |
| H29 | C35 | H30 | H31 | 120.0° | 120.0° |
| H32 | C36 | H33 | H34 | 120.0° | 120.0° |
| H37 | C41 | C42 | H39 | 177.0° | 177.0° |
| H37 | C41 | C42 | H40 | 55.8° | 55.8° |
| H37 | C41 | C8 | H61 | 52.5° | 52.5° |
| H38 | C41 | C42 | H39 | 64.6° | 64.6° |
| H38 | C41 | C42 | H40 | 174.1° | 174.1° |
| H38 | C41 | C8 | H61 | 170.9° | 170.9° |
| H41 | C46 | H42 | H43 | 120.0° | 120.0° |
| H44 | C47 | H45 | H46 | 120.0° | 120.0° |
| H47 | C48 | C49 | H48 | 8.6° | 8.6° |
| H47 | C48 | C49 | H10 | 109.7° | 109.7° |
| H48 | C49 | C48 | H1 | 126.0° | 126.0° |
| H49 | C53 | H50 | H51 | 120.0° | 120.0° |
| H52 | C54 | H53 | H54 | 120.0° | 120.0° |
| H55 | C55 | C56 | H57 | 155.8° | 155.8° |
| H55 | C55 | C56 | H58 | 34.6° | 34.6° |
| H56 | C55 | C56 | H57 | 85.6° | 85.6° |
| H56 | C55 | C56 | H58 | 153.2° | 153.2° |
| H64 | CR1 | CR2 | H65 | 36.5° | 36.5° |
| H65 | CR2 | CR3 | H66 | 36.5° | 36.5° |
| H65 | CR2 | OR7 | H85 | 54.5° | 54.5° |
| H66 | CR3 | CR4 | H67 | 145.5° | 145.5° |
| H67 | CR4 | CR5 | H68 | 179.8° | 179.8° |
| H67 | CR4 | CR5 | H69 | 60.2° | 60.2° |
| H68 | CR5 | OR8 | H86 | 60.0° | 60.0° |
| H69 | CR5 | OR8 | H86 | 60.0° | 60.0° |
| H81 | N59 | CPR1 | H93 | 52.6° | 52.6° |
| H81 | N59 | CPR1 | H94 | 171.3° | 171.2° |
| H87 | CB10 | H88 | H89 | 120.0° | 120.0° |
| H90 | CB11 | H91 | H92 | 120.0° | 120.0° |
| H93 | CPR1 | CPR2 | H95 | 162.6° | 162.6° |
| H94 | CPR1 | CPR2 | H95 | 44.0° | 44.0° |
| H95 | CPR2 | CPR3 | H96 | 57.7° | 57.7° |
| H95 | CPR2 | CPR3 | H97 | 177.7° | 177.7° |
| H95 | CPR2 | CPR3 | H98 | 62.3° | 62.3° |
| H96 | CPR3 | H97 | H98 | 120.0° | 120.0° |
| H1 | C48 | C49 | H10 | 7.7° | 7.7° |
