A1BE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CR5 | OR8 | sing | 1.43Å | 1.43Å | |
| CR5 | CR4 | sing | 1.53Å | 1.49Å | |
| OP4 | P1 | doub | 1.48Å | 1.48Å | |
| N45 | C43 | sing | 1.35Å | 1.32Å | |
| CR4 | CR3 | sing | 1.55Å | 1.52Å | |
| CR4 | OR6 | sing | 1.44Å | 1.45Å | |
| CR3 | CR2 | sing | 1.55Å | 1.52Å | |
| CR3 | OP2 | sing | 1.43Å | 1.43Å | |
| OR6 | CR1 | sing | 1.44Å | 1.41Å | |
| C49 | C50 | sing | 1.51Å | 1.51Å | |
| C49 | C48 | sing | 1.53Å | 1.54Å | |
| N52 | C50 | sing | 1.35Å | 1.32Å | |
| CR1 | CR2 | sing | 1.54Å | 1.54Å | |
| CR1 | NB1 | sing | 1.47Å | 1.45Å | |
| P1 | OP5 | sing | 1.61Å | 1.49Å | |
| P1 | OP2 | sing | 1.61Å | 1.62Å | |
| P1 | OP3 | sing | 1.61Å | 1.58Å | |
| C50 | O51 | doub | 1.21Å | 1.24Å | |
| C43 | O44 | doub | 1.21Å | 1.25Å | |
| C43 | C42 | sing | 1.51Å | 1.51Å | |
| CPR3 | CPR2 | sing | 1.53Å | 1.51Å | |
| CB11 | CB6 | sing | 1.51Å | 1.51Å | |
| CR2 | OR7 | sing | 1.43Å | 1.41Å | |
| CB7 | CB6 | doub | 1.38Å | 1.40Å | Aromatic |
| CB7 | CB8 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | C12 | sing | 1.53Å | 1.54Å | |
| OP3 | CPR2 | sing | 1.43Å | 1.45Å | |
| CPR2 | CPR1 | sing | 1.53Å | 1.52Å | |
| C48 | C13 | sing | 1.53Å | 1.55Å | |
| CB6 | CB5 | sing | 1.39Å | 1.41Å | Aromatic |
| NB1 | CB8 | sing | 1.38Å | 1.39Å | Aromatic |
| NB1 | CB2 | sing | 1.36Å | 1.36Å | Aromatic |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| CB8 | CB9 | doub | 1.41Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.52Å | 1.57Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C46 | sing | 1.52Å | 1.55Å | |
| CB2 | NB3 | doub | 1.30Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.52Å | 1.54Å | |
| CB5 | CB10 | sing | 1.51Å | 1.51Å | |
| CB5 | CB4 | doub | 1.37Å | 1.40Å | Aromatic |
| O58 | C57 | doub | 1.21Å | 1.24Å | |
| C41 | C8 | sing | 1.53Å | 1.55Å | |
| CPR1 | N59 | sing | 1.47Å | 1.45Å | |
| CB9 | CB4 | sing | 1.40Å | 1.40Å | Aromatic |
| CB9 | NB3 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | |
| C10 | C9 | doub | 1.37Å | 1.38Å | |
| C11 | N23 | doub | 1.33Å | 1.35Å | |
| C57 | N59 | sing | 1.35Å | 1.32Å | |
| C57 | C56 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.52Å | 1.55Å | |
| C14 | N23 | sing | 1.34Å | 1.40Å | |
| C14 | C15 | doub | 1.37Å | 1.38Å | |
| C9 | N22 | sing | 1.34Å | 1.35Å | |
| N23 | CO1 | sing | 1.83Å | 1.93Å | |
| C53 | C15 | sing | 1.50Å | 1.52Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.40Å | 1.45Å | |
| O39 | C38 | doub | 1.21Å | 1.26Å | |
| N22 | CO1 | sing | 1.82Å | 1.93Å | |
| N22 | C6 | doub | 1.33Å | 1.41Å | |
| CO1 | N24 | sing | 1.81Å | 1.91Å | |
| CO1 | C1L | sing | 1.89Å | 1.88Å | |
| CO1 | N21 | sing | 1.81Å | 1.87Å | |
| C7 | C36 | sing | 1.52Å | 1.53Å | |
| C7 | C6 | sing | 1.52Å | 1.56Å | |
| C7 | C37 | sing | 1.53Å | 1.56Å | |
| C16 | N24 | doub | 1.31Å | 1.33Å | |
| C16 | C17 | sing | 1.50Å | 1.55Å | |
| C55 | C17 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.41Å | 1.39Å | |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C38 | N40 | sing | 1.35Å | 1.33Å | |
| C20 | C1 | sing | 1.53Å | 1.52Å | |
| N24 | C19 | sing | 1.47Å | 1.49Å | |
| C1L | C2L | trip | 1.17Å | 1.22Å | |
| C17 | C18 | sing | 1.54Å | 1.55Å | |
| C17 | C54 | sing | 1.53Å | 1.55Å | |
| N21 | C1 | sing | 1.46Å | 1.49Å | |
| N21 | C4 | sing | 1.37Å | 1.30Å | |
| C4L | C5L | doub | 1.38Å | 1.38Å | Aromatic |
| C4L | C3L | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.34Å | 1.46Å | |
| C5 | C35 | sing | 1.50Å | 1.52Å | |
| C2L | C3L | sing | 1.43Å | 1.43Å | |
| O62 | C61 | doub | 1.21Å | 1.25Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C60 | sing | 1.53Å | 1.55Å | |
| C1 | C19 | sing | 1.52Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C4 | C3 | sing | 1.50Å | 1.52Å | |
| C5L | C6L | sing | 1.39Å | 1.39Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.22Å | |
| C30 | C3 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| N34 | C32 | sing | 1.35Å | 1.34Å | |
| C3L | C8L | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C61 | C60 | sing | 1.51Å | 1.51Å | |
| C61 | N63 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | sing | 1.54Å | 1.56Å | |
| C2 | C25 | sing | 1.53Å | 1.54Å | |
| C2 | C26 | sing | 1.52Å | 1.56Å | |
| C6L | C01 | sing | 1.48Å | 1.34Å | |
| C6L | C7L | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C01 | doub | 1.37Å | 1.50Å | Aromatic |
| C05 | N03 | sing | 1.35Å | 1.47Å | Aromatic |
| C8L | C7L | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | N01 | sing | 1.35Å | 1.46Å | Aromatic |
| C02 | N03 | sing | 1.46Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| N03 | N02 | sing | 1.29Å | 1.45Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| N01 | N02 | doub | 1.29Å | 1.44Å | Aromatic |
| C03 | N05 | sing | 1.46Å | 1.48Å | |
| C27 | O28 | doub | 1.21Å | 1.25Å | |
| C27 | N29 | sing | 1.35Å | 1.31Å | |
| N05 | C07 | sing | 1.38Å | 1.44Å | |
| C07 | N04 | doub | 1.30Å | 1.47Å | |
| C07 | N06 | sing | 1.38Å | 1.47Å | |
| C3 | H2 | sing | 1.08Å | 1.10Å | |
| CB2 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å | |
| C47 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C4L | H50 | sing | 1.08Å | 1.08Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H55 | sing | 1.09Å | 1.10Å | |
| C54 | H56 | sing | 1.09Å | 1.10Å | |
| C55 | H57 | sing | 1.09Å | 1.10Å | |
| C55 | H58 | sing | 1.09Å | 1.10Å | |
| C56 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H60 | sing | 1.09Å | 1.10Å | |
| C5L | H61 | sing | 1.08Å | 1.08Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| C60 | H63 | sing | 1.09Å | 1.10Å | |
| C7L | H64 | sing | 1.08Å | 1.08Å | |
| C8 | H65 | sing | 1.09Å | 1.10Å | |
| C8L | H66 | sing | 1.08Å | 1.08Å | |
| CB4 | H68 | sing | 1.08Å | 1.08Å | |
| CB7 | H69 | sing | 1.08Å | 1.08Å | |
| CR1 | H70 | sing | 1.09Å | 1.10Å | |
| CR2 | H71 | sing | 1.09Å | 1.10Å | |
| CR3 | H72 | sing | 1.09Å | 1.10Å | |
| CR4 | H73 | sing | 1.09Å | 1.10Å | |
| CR5 | H74 | sing | 1.09Å | 1.10Å | |
| CR5 | H75 | sing | 1.09Å | 1.10Å | |
| N04 | H76 | sing | 0.97Å | 1.00Å | |
| N05 | H77 | sing | 0.97Å | 1.00Å | |
| N06 | H78 | sing | 0.97Å | 1.00Å | |
| N06 | H79 | sing | 0.97Å | 1.00Å | |
| N29 | H80 | sing | 0.97Å | 1.00Å | |
| N29 | H81 | sing | 0.97Å | 1.00Å | |
| N34 | H82 | sing | 0.97Å | 1.00Å | |
| N34 | H83 | sing | 0.97Å | 1.00Å | |
| N40 | H84 | sing | 0.97Å | 1.00Å | |
| N40 | H85 | sing | 0.97Å | 1.00Å | |
| N45 | H86 | sing | 0.97Å | 1.00Å | |
| N45 | H87 | sing | 0.97Å | 1.00Å | |
| N52 | H88 | sing | 0.97Å | 1.00Å | |
| N52 | H89 | sing | 0.97Å | 1.00Å | |
| N59 | H90 | sing | 0.97Å | 1.00Å | |
| N63 | H91 | sing | 0.97Å | 1.00Å | |
| N63 | H92 | sing | 0.97Å | 1.00Å | |
| CPR1 | H11 | sing | 1.09Å | 1.10Å | |
| CPR1 | H12 | sing | 1.09Å | 1.10Å | |
| CPR2 | H1 | sing | 1.09Å | 1.10Å | |
| CPR3 | H93 | sing | 1.09Å | 1.10Å | |
| CPR3 | H13 | sing | 1.09Å | 1.10Å | |
| CPR3 | H67 | sing | 1.09Å | 1.10Å | |
| OR8 | H96 | sing | 0.97Å | 0.95Å | |
| OP5 | H95 | sing | 0.97Å | 0.95Å | |
| OR7 | H94 | sing | 0.97Å | 0.95Å | |
| CB10 | H101 | sing | 1.09Å | 1.10Å | |
| CB10 | H100 | sing | 1.09Å | 1.10Å | |
| CB10 | H102 | sing | 1.09Å | 1.10Å | |
| CB11 | H99 | sing | 1.09Å | 1.10Å | |
| CB11 | H98 | sing | 1.09Å | 1.10Å | |
| CB11 | H97 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OR8 | CR5 | CR4 | 112.3° | 109.5° |
| OR8 | CR5 | H74 | 108.8° | 109.5° |
| OR8 | CR5 | H75 | 108.8° | 109.5° |
| CR5 | OR8 | H96 | 109.5° | 114.0° |
| CR5 | CR4 | CR3 | 115.4° | 110.7° |
| CR5 | CR4 | OR6 | 107.1° | 110.6° |
| CR5 | CR4 | H73 | 109.3° | 110.7° |
| CR4 | CR5 | H74 | 108.8° | 109.5° |
| CR4 | CR5 | H75 | 108.8° | 109.4° |
| OP4 | P1 | OP5 | 118.9° | 109.4° |
| OP4 | P1 | OP2 | 107.5° | 109.5° |
| OP4 | P1 | OP3 | 111.3° | 109.5° |
| N45 | C43 | O44 | 119.0° | 120.0° |
| N45 | C43 | C42 | 118.0° | 120.0° |
| C43 | N45 | H86 | 120.0° | 120.0° |
| C43 | N45 | H87 | 120.0° | 120.0° |
| CR3 | CR4 | OR6 | 106.3° | 103.5° |
| CR4 | CR3 | CR2 | 104.7° | 102.1° |
| CR4 | CR3 | OP2 | 108.0° | 110.9° |
| CR4 | CR3 | H72 | 109.8° | 111.0° |
| CR3 | CR4 | H73 | 108.8° | 110.6° |
| CR4 | OR6 | CR1 | 111.6° | 107.0° |
| OR6 | CR4 | H73 | 109.8° | 110.6° |
| CR2 | CR3 | OP2 | 113.1° | 110.9° |
| CR3 | CR2 | CR1 | 103.5° | 104.2° |
| CR3 | CR2 | OR7 | 108.2° | 110.5° |
| CR3 | CR2 | H71 | 111.3° | 110.6° |
| CR2 | CR3 | H72 | 109.8° | 110.9° |
| CR3 | OP2 | P1 | 119.6° | 123.0° |
| OP2 | CR3 | H72 | 111.1° | 110.8° |
| OR6 | CR1 | CR2 | 106.4° | 107.3° |
| OR6 | CR1 | NB1 | 108.4° | 109.9° |
| OR6 | CR1 | H70 | 111.5° | 110.0° |
| C50 | C49 | C48 | 110.2° | 109.5° |
| C49 | C50 | N52 | 116.7° | 120.0° |
| C49 | C50 | O51 | 119.6° | 120.0° |
| C50 | C49 | H48 | 109.3° | 109.5° |
| C50 | C49 | H49 | 109.3° | 109.5° |
| C49 | C48 | C13 | 116.4° | 109.5° |
| C49 | C48 | H46 | 107.7° | 109.5° |
| C49 | C48 | H47 | 107.7° | 109.5° |
| C48 | C49 | H48 | 109.3° | 109.5° |
| C48 | C49 | H49 | 109.3° | 109.5° |
| N52 | C50 | O51 | 123.0° | 120.0° |
| C50 | N52 | H88 | 120.0° | 120.0° |
| C50 | N52 | H89 | 120.0° | 119.9° |
| CR2 | CR1 | NB1 | 110.0° | 109.9° |
| CR1 | CR2 | OR7 | 109.5° | 110.5° |
| CR2 | CR1 | H70 | 109.6° | 109.9° |
| CR1 | CR2 | H71 | 111.0° | 110.4° |
| CR1 | NB1 | CB8 | 126.7° | 126.3° |
| CR1 | NB1 | CB2 | 126.4° | 126.3° |
| NB1 | CR1 | H70 | 110.9° | 109.8° |
| OP5 | P1 | OP2 | 111.2° | 109.5° |
| OP5 | P1 | OP3 | 105.8° | 109.5° |
| P1 | OP5 | H95 | 109.5° | 114.0° |
| OP2 | P1 | OP3 | 100.8° | 109.5° |
| P1 | OP3 | CPR2 | 122.8° | 123.0° |
| O44 | C43 | C42 | 121.7° | 120.0° |
| C43 | C42 | C41 | 111.5° | 109.5° |
| C43 | C42 | H38 | 109.0° | 109.4° |
| C43 | C42 | H39 | 109.0° | 109.5° |
| CPR3 | CPR2 | OP3 | 107.3° | 109.5° |
| CPR3 | CPR2 | CPR1 | 110.9° | 109.4° |
| CPR3 | CPR2 | H1 | 110.4° | 109.5° |
| CPR2 | CPR3 | H93 | 109.5° | 109.5° |
| CPR2 | CPR3 | H13 | 109.5° | 109.5° |
| CPR2 | CPR3 | H67 | 109.5° | 109.5° |
| CB11 | CB6 | CB7 | 119.9° | 119.8° |
| CB11 | CB6 | CB5 | 119.8° | 119.8° |
| CB6 | CB11 | H99 | 109.5° | 109.5° |
| CB6 | CB11 | H98 | 109.5° | 109.5° |
| CB6 | CB11 | H97 | 109.5° | 109.5° |
| OR7 | CR2 | H71 | 112.9° | 110.5° |
| CR2 | OR7 | H94 | 109.5° | 114.0° |
| CB6 | CB7 | CB8 | 117.8° | 119.7° |
| CB7 | CB6 | CB5 | 120.3° | 120.5° |
| CB6 | CB7 | H69 | 121.1° | 120.1° |
| CB7 | CB8 | NB1 | 131.4° | 134.2° |
| CB7 | CB8 | CB9 | 122.3° | 119.9° |
| CB8 | CB7 | H69 | 121.1° | 120.2° |
| C47 | C12 | C13 | 120.0° | 111.1° |
| C47 | C12 | C11 | 113.4° | 110.5° |
| C47 | C12 | C46 | 105.9° | 110.6° |
| C12 | C47 | H43 | 109.5° | 109.5° |
| C12 | C47 | H44 | 109.4° | 109.5° |
| C12 | C47 | H45 | 109.5° | 109.5° |
| OP3 | CPR2 | CPR1 | 106.5° | 109.5° |
| OP3 | CPR2 | H1 | 111.3° | 109.5° |
| CPR2 | CPR1 | N59 | 115.7° | 109.4° |
| CPR2 | CPR1 | H11 | 107.9° | 109.4° |
| CPR2 | CPR1 | H12 | 107.9° | 109.5° |
| CPR1 | CPR2 | H1 | 110.2° | 109.5° |
| C48 | C13 | C12 | 116.8° | 110.9° |
| C48 | C13 | C14 | 108.1° | 109.9° |
| C48 | C13 | H10 | 109.7° | 111.0° |
| C13 | C48 | H46 | 107.7° | 109.5° |
| C13 | C48 | H47 | 107.7° | 109.5° |
| CB6 | CB5 | CB10 | 119.1° | 119.7° |
| CB6 | CB5 | CB4 | 120.6° | 120.6° |
| CB8 | NB1 | CB2 | 107.0° | 107.3° |
| NB1 | CB8 | CB9 | 106.4° | 106.0° |
| NB1 | CB2 | NB3 | 112.1° | 110.1° |
| NB1 | CB2 | H3 | 124.0° | 125.0° |
| C42 | C41 | C8 | 120.6° | 109.5° |
| C42 | C41 | H36 | 106.6° | 109.5° |
| C42 | C41 | H37 | 106.6° | 109.5° |
| C41 | C42 | H38 | 109.0° | 109.5° |
| C41 | C42 | H39 | 108.9° | 109.5° |
| CB8 | CB9 | CB4 | 119.6° | 119.4° |
| CB8 | CB9 | NB3 | 108.6° | 106.9° |
| C13 | C12 | C11 | 100.6° | 102.6° |
| C13 | C12 | C46 | 110.1° | 111.2° |
| C12 | C13 | C14 | 102.5° | 102.6° |
| C12 | C13 | H10 | 109.5° | 111.7° |
| C11 | C12 | C46 | 106.2° | 110.6° |
| C12 | C11 | C10 | 122.1° | 120.3° |
| C12 | C11 | N23 | 113.5° | 112.5° |
| C12 | C46 | H40 | 109.5° | 109.4° |
| C12 | C46 | H41 | 109.4° | 109.5° |
| C12 | C46 | H42 | 109.5° | 109.5° |
| CB2 | NB3 | CB9 | 105.9° | 109.7° |
| NB3 | CB2 | H3 | 123.9° | 124.9° |
| C13 | C14 | N23 | 108.8° | 111.8° |
| C13 | C14 | C15 | 124.6° | 116.9° |
| C14 | C13 | H10 | 109.9° | 110.6° |
| CB10 | CB5 | CB4 | 120.3° | 119.7° |
| CB5 | CB10 | H101 | 109.5° | 109.5° |
| CB5 | CB10 | H100 | 109.5° | 109.5° |
| CB5 | CB10 | H102 | 109.5° | 109.4° |
| CB5 | CB4 | CB9 | 119.3° | 119.9° |
| CB5 | CB4 | H68 | 120.4° | 120.0° |
| O58 | C57 | N59 | 122.4° | 120.0° |
| O58 | C57 | C56 | 119.9° | 120.0° |
| C41 | C8 | C9 | 107.0° | 110.8° |
| C41 | C8 | C7 | 117.0° | 111.0° |
| C8 | C41 | H36 | 106.6° | 109.5° |
| C8 | C41 | H37 | 106.6° | 109.5° |
| C41 | C8 | H65 | 110.3° | 111.2° |
| CPR1 | N59 | C57 | 123.3° | 120.0° |
| CPR1 | N59 | H90 | 118.3° | 120.0° |
| N59 | CPR1 | H11 | 107.9° | 109.4° |
| N59 | CPR1 | H12 | 107.9° | 109.5° |
| CB4 | CB9 | NB3 | 131.8° | 133.6° |
| CB9 | CB4 | H68 | 120.3° | 120.1° |
| C11 | C10 | C9 | 126.8° | 120.5° |
| C10 | C11 | N23 | 124.4° | 127.2° |
| C11 | C10 | H9 | 116.6° | 119.6° |
| C10 | C9 | C8 | 121.5° | 119.8° |
| C10 | C9 | N22 | 127.1° | 127.3° |
| C9 | C10 | H9 | 116.6° | 119.8° |
| C11 | N23 | C14 | 109.5° | 110.1° |
| C11 | N23 | CO1 | 122.6° | 123.0° |
| N59 | C57 | C56 | 117.7° | 120.0° |
| C57 | N59 | H90 | 118.4° | 120.0° |
| C57 | C56 | C55 | 112.7° | 109.4° |
| C57 | C56 | H59 | 108.6° | 109.5° |
| C57 | C56 | H60 | 108.7° | 109.5° |
| C9 | C8 | C7 | 101.0° | 102.1° |
| C8 | C9 | N22 | 110.6° | 112.8° |
| C9 | C8 | H65 | 110.8° | 110.2° |
| C8 | C7 | C36 | 110.0° | 111.1° |
| C8 | C7 | C6 | 99.9° | 103.1° |
| C8 | C7 | C37 | 112.2° | 110.7° |
| C7 | C8 | H65 | 110.2° | 111.2° |
| N23 | C14 | C15 | 125.5° | 131.2° |
| C14 | N23 | CO1 | 127.6° | 126.9° |
| C14 | C15 | C53 | 116.8° | 121.7° |
| C14 | C15 | C16 | 120.8° | 116.5° |
| C9 | N22 | CO1 | 120.5° | 122.8° |
| C9 | N22 | C6 | 109.1° | 109.6° |
| N23 | CO1 | N22 | 97.8° | 97.7° |
| N23 | CO1 | N24 | 89.1° | 86.4° |
| N23 | CO1 | C1L | 85.8° | 97.5° |
| N23 | CO1 | N21 | 173.7° | 161.5° |
| C53 | C15 | C16 | 119.8° | 121.8° |
| C15 | C53 | H51 | 109.5° | 109.4° |
| C15 | C53 | H52 | 109.5° | 109.5° |
| C15 | C53 | H53 | 109.5° | 109.5° |
| C56 | C55 | C17 | 111.9° | 109.5° |
| C56 | C55 | H57 | 108.9° | 109.5° |
| C56 | C55 | H58 | 108.8° | 109.5° |
| C55 | C56 | H59 | 108.7° | 109.4° |
| C55 | C56 | H60 | 108.7° | 109.5° |
| C15 | C16 | N24 | 122.5° | 117.7° |
| C15 | C16 | C17 | 127.5° | 129.4° |
| O39 | C38 | C37 | 120.5° | 120.0° |
| O39 | C38 | N40 | 120.7° | 120.0° |
| CO1 | N22 | C6 | 125.3° | 127.3° |
| N22 | CO1 | N24 | 171.1° | 164.2° |
| N22 | CO1 | C1L | 79.3° | 97.4° |
| N22 | CO1 | N21 | 88.5° | 84.4° |
| N22 | C6 | C7 | 108.8° | 112.2° |
| N22 | C6 | C5 | 122.3° | 131.8° |
| N24 | CO1 | C1L | 95.7° | 97.2° |
| N24 | CO1 | N21 | 84.8° | 87.0° |
| CO1 | N24 | C16 | 131.7° | 141.1° |
| CO1 | N24 | C19 | 113.2° | 110.1° |
| C1L | CO1 | N21 | 96.1° | 100.4° |
| CO1 | C1L | C2L | 169.5° | 180.0° |
| CO1 | N21 | C1 | 114.0° | 111.9° |
| CO1 | N21 | C4 | 132.0° | 141.1° |
| C36 | C7 | C6 | 119.9° | 110.8° |
| C36 | C7 | C37 | 107.7° | 110.6° |
| C7 | C36 | H31 | 109.5° | 109.5° |
| C7 | C36 | H32 | 109.4° | 109.5° |
| C7 | C36 | H33 | 109.5° | 109.5° |
| C6 | C7 | C37 | 107.1° | 110.3° |
| C7 | C6 | C5 | 128.9° | 116.0° |
| C7 | C37 | C38 | 115.5° | 109.5° |
| C7 | C37 | H34 | 108.0° | 109.4° |
| C7 | C37 | H35 | 108.0° | 109.5° |
| N24 | C16 | C17 | 109.7° | 112.9° |
| C16 | N24 | C19 | 112.0° | 108.7° |
| C16 | C17 | C55 | 120.1° | 110.5° |
| C16 | C17 | C18 | 99.2° | 103.7° |
| C16 | C17 | C54 | 106.0° | 110.3° |
| C55 | C17 | C18 | 108.7° | 110.7° |
| C55 | C17 | C54 | 110.4° | 110.6° |
| C17 | C55 | H57 | 108.9° | 109.4° |
| C17 | C55 | H58 | 108.9° | 109.5° |
| C6 | C5 | C4 | 120.3° | 116.3° |
| C6 | C5 | C35 | 122.2° | 121.7° |
| C37 | C38 | N40 | 116.3° | 120.0° |
| C38 | C37 | H34 | 108.0° | 109.5° |
| C38 | C37 | H35 | 107.9° | 109.5° |
| C38 | N40 | H84 | 120.0° | 120.0° |
| C38 | N40 | H85 | 120.0° | 120.0° |
| C20 | C1 | N21 | 112.1° | 111.3° |
| C20 | C1 | C19 | 108.6° | 111.6° |
| C20 | C1 | C2 | 113.6° | 111.4° |
| C1 | C20 | H16 | 109.5° | 109.5° |
| C1 | C20 | H17 | 109.5° | 109.5° |
| C1 | C20 | H18 | 109.4° | 109.5° |
| N24 | C19 | C18 | 102.6° | 107.2° |
| N24 | C19 | C1 | 109.2° | 102.2° |
| N24 | C19 | H15 | 109.2° | 111.1° |
| C1L | C2L | C3L | 177.5° | 180.0° |
| C18 | C17 | C54 | 112.0° | 110.8° |
| C17 | C18 | C19 | 103.4° | 100.4° |
| C17 | C18 | C60 | 115.1° | 111.0° |
| C17 | C18 | H14 | 107.8° | 111.7° |
| C17 | C54 | H54 | 109.5° | 109.5° |
| C17 | C54 | H55 | 109.5° | 109.5° |
| C17 | C54 | H56 | 109.4° | 109.5° |
| C1 | N21 | C4 | 114.0° | 107.0° |
| N21 | C1 | C19 | 102.6° | 103.4° |
| N21 | C1 | C2 | 100.2° | 106.8° |
| N21 | C4 | C5 | 124.1° | 116.5° |
| N21 | C4 | C3 | 111.0° | 112.3° |
| C5L | C4L | C3L | 122.1° | 120.0° |
| C4L | C5L | C6L | 116.7° | 120.0° |
| C5L | C4L | H50 | 118.9° | 119.9° |
| C4L | C5L | H61 | 121.6° | 120.0° |
| C4L | C3L | C2L | 118.4° | 120.0° |
| C4L | C3L | C8L | 118.8° | 120.0° |
| C3L | C4L | H50 | 118.9° | 120.1° |
| C4 | C5 | C35 | 113.9° | 122.0° |
| C5 | C4 | C3 | 123.8° | 131.2° |
| C5 | C35 | H28 | 109.5° | 109.5° |
| C5 | C35 | H29 | 109.5° | 109.5° |
| C5 | C35 | H30 | 109.5° | 109.5° |
| C2L | C3L | C8L | 122.8° | 120.0° |
| O62 | C61 | C60 | 122.8° | 120.0° |
| O62 | C61 | N63 | 122.3° | 120.0° |
| C19 | C18 | C60 | 114.2° | 110.7° |
| C18 | C19 | C1 | 118.4° | 112.1° |
| C19 | C18 | H14 | 108.1° | 110.9° |
| C18 | C19 | H15 | 108.7° | 111.6° |
| C18 | C60 | C61 | 114.5° | 109.4° |
| C60 | C18 | H14 | 107.9° | 111.6° |
| C18 | C60 | H62 | 108.2° | 109.5° |
| C18 | C60 | H63 | 108.2° | 109.5° |
| C19 | C1 | C2 | 118.8° | 112.0° |
| C1 | C19 | H15 | 108.4° | 112.2° |
| C1 | C2 | C3 | 103.1° | 101.8° |
| C1 | C2 | C25 | 111.3° | 110.4° |
| C1 | C2 | C26 | 107.6° | 111.3° |
| C4 | C3 | C30 | 112.7° | 109.8° |
| C4 | C3 | C2 | 99.9° | 104.2° |
| C4 | C3 | H2 | 108.5° | 110.9° |
| C5L | C6L | C01 | 118.8° | 120.0° |
| C5L | C6L | C7L | 123.4° | 120.0° |
| C6L | C5L | H61 | 121.6° | 120.0° |
| O33 | C32 | N34 | 122.5° | 120.1° |
| O33 | C32 | C31 | 122.4° | 120.0° |
| C3 | C30 | C31 | 115.5° | 109.5° |
| C30 | C3 | C2 | 119.0° | 110.5° |
| C30 | C3 | H2 | 108.2° | 110.5° |
| C3 | C30 | H24 | 107.9° | 109.4° |
| C3 | C30 | H25 | 107.9° | 109.5° |
| C30 | C31 | C32 | 112.8° | 109.5° |
| C31 | C30 | H24 | 108.0° | 109.4° |
| C31 | C30 | H25 | 108.0° | 109.5° |
| C30 | C31 | H26 | 108.6° | 109.5° |
| C30 | C31 | H27 | 108.6° | 109.5° |
| N34 | C32 | C31 | 115.2° | 120.0° |
| C32 | N34 | H82 | 120.0° | 120.1° |
| C32 | N34 | H83 | 120.0° | 119.9° |
| C3L | C8L | C7L | 119.8° | 120.0° |
| C3L | C8L | H66 | 120.1° | 120.0° |
| C32 | C31 | H26 | 108.6° | 109.4° |
| C32 | C31 | H27 | 108.6° | 109.5° |
| C60 | C61 | N63 | 114.7° | 120.0° |
| C61 | C60 | H62 | 108.2° | 109.5° |
| C61 | C60 | H63 | 108.2° | 109.4° |
| C61 | N63 | H91 | 120.0° | 120.0° |
| C61 | N63 | H92 | 120.0° | 120.0° |
| C3 | C2 | C25 | 114.6° | 110.6° |
| C3 | C2 | C26 | 106.4° | 111.5° |
| C2 | C3 | H2 | 108.0° | 110.8° |
| C25 | C2 | C26 | 113.0° | 110.9° |
| C2 | C25 | H19 | 109.5° | 109.5° |
| C2 | C25 | H20 | 109.5° | 109.5° |
| C2 | C25 | H21 | 109.5° | 109.5° |
| C2 | C26 | C27 | 114.8° | 109.5° |
| C2 | C26 | H22 | 108.1° | 109.5° |
| C2 | C26 | H23 | 108.1° | 109.5° |
| C01 | C6L | C7L | 117.8° | 119.9° |
| C6L | C01 | C05 | 123.2° | 126.9° |
| C6L | C01 | N01 | 122.4° | 126.9° |
| C6L | C7L | C8L | 119.1° | 120.0° |
| C6L | C7L | H64 | 120.5° | 120.0° |
| C01 | C05 | N03 | 97.5° | 106.0° |
| C05 | C01 | N01 | 114.5° | 106.2° |
| C01 | C05 | H8 | 131.2° | 127.0° |
| C05 | N03 | C02 | 121.8° | 125.7° |
| C05 | N03 | N02 | 116.4° | 108.5° |
| N03 | C05 | H8 | 131.3° | 127.0° |
| C8L | C7L | H64 | 120.4° | 120.0° |
| C7L | C8L | H66 | 120.1° | 120.0° |
| C01 | N01 | N02 | 106.4° | 108.8° |
| N03 | C02 | C03 | 109.0° | 109.5° |
| C02 | N03 | N02 | 121.8° | 125.7° |
| N03 | C02 | H4 | 109.6° | 109.5° |
| N03 | C02 | H5 | 109.6° | 109.5° |
| C02 | C03 | N05 | 111.2° | 109.5° |
| C03 | C02 | H4 | 109.6° | 109.5° |
| C03 | C02 | H5 | 109.6° | 109.5° |
| C02 | C03 | H6 | 109.0° | 109.5° |
| C02 | C03 | H7 | 109.0° | 109.5° |
| N03 | N02 | N01 | 105.2° | 110.5° |
| C26 | C27 | O28 | 121.8° | 120.0° |
| C26 | C27 | N29 | 115.4° | 120.0° |
| C27 | C26 | H22 | 108.1° | 109.5° |
| C27 | C26 | H23 | 108.2° | 109.5° |
| C03 | N05 | C07 | 116.5° | 120.0° |
| N05 | C03 | H6 | 109.0° | 109.5° |
| N05 | C03 | H7 | 109.1° | 109.5° |
| C03 | N05 | H77 | 121.7° | 120.0° |
| O28 | C27 | N29 | 121.9° | 120.0° |
| C27 | N29 | H80 | 120.0° | 120.0° |
| C27 | N29 | H81 | 120.0° | 120.0° |
| N05 | C07 | N04 | 125.4° | 120.0° |
| N05 | C07 | N06 | 107.1° | 120.0° |
| C07 | N05 | H77 | 121.7° | 120.0° |
| N04 | C07 | N06 | 125.5° | 120.0° |
| C07 | N04 | H76 | 112.0° | 120.0° |
| C07 | N06 | H78 | 120.0° | 120.0° |
| C07 | N06 | H79 | 120.0° | 120.0° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H16 | C20 | H18 | 109.5° | 109.4° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.4° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H28 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.4° |
| H32 | C36 | H33 | 109.5° | 109.4° |
| H34 | C37 | H35 | 109.4° | 109.5° |
| H36 | C41 | H37 | 109.5° | 109.5° |
| H38 | C42 | H39 | 109.5° | 109.5° |
| H40 | C46 | H41 | 109.5° | 109.5° |
| H40 | C46 | H42 | 109.5° | 109.4° |
| H41 | C46 | H42 | 109.5° | 109.5° |
| H43 | C47 | H44 | 109.5° | 109.5° |
| H43 | C47 | H45 | 109.4° | 109.5° |
| H44 | C47 | H45 | 109.5° | 109.4° |
| H46 | C48 | H47 | 109.5° | 109.5° |
| H48 | C49 | H49 | 109.5° | 109.5° |
| H51 | C53 | H52 | 109.5° | 109.5° |
| H51 | C53 | H53 | 109.5° | 109.4° |
| H52 | C53 | H53 | 109.5° | 109.5° |
| H54 | C54 | H55 | 109.5° | 109.4° |
| H54 | C54 | H56 | 109.5° | 109.5° |
| H55 | C54 | H56 | 109.4° | 109.4° |
| H57 | C55 | H58 | 109.5° | 109.5° |
| H59 | C56 | H60 | 109.5° | 109.5° |
| H62 | C60 | H63 | 109.5° | 109.5° |
| H74 | CR5 | H75 | 109.4° | 109.5° |
| H78 | N06 | H79 | 120.0° | 120.0° |
| H80 | N29 | H81 | 120.0° | 120.0° |
| H82 | N34 | H83 | 120.0° | 120.0° |
| H84 | N40 | H85 | 120.0° | 120.0° |
| H86 | N45 | H87 | 120.0° | 120.0° |
| H88 | N52 | H89 | 120.0° | 120.1° |
| H91 | N63 | H92 | 120.0° | 120.0° |
| H11 | CPR1 | H12 | 109.4° | 109.5° |
| H93 | CPR3 | H13 | 109.5° | 109.5° |
| H93 | CPR3 | H67 | 109.5° | 109.4° |
| H13 | CPR3 | H67 | 109.5° | 109.5° |
| H101 | CB10 | H100 | 109.5° | 109.5° |
| H101 | CB10 | H102 | 109.5° | 109.5° |
| H100 | CB10 | H102 | 109.5° | 109.5° |
| H99 | CB11 | H98 | 109.5° | 109.5° |
| H99 | CB11 | H97 | 109.5° | 109.4° |
| H98 | CB11 | H97 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OR8 | CR5 | CR4 | H74 | 120.4° | 120.1° |
| OR8 | CR5 | CR4 | H75 | 120.4° | 120.0° |
| OR8 | CR5 | CR4 | CR3 | 168.4° | 176.6° |
| OR8 | CR5 | CR4 | OR6 | 73.6° | 69.3° |
| OR8 | CR5 | CR4 | H73 | 45.3° | 53.7° |
| OR8 | CR5 | H74 | H75 | 118.7° | 120.0° |
| CR5 | CR4 | CR3 | OR6 | 118.5° | 118.5° |
| CR5 | CR4 | CR3 | H73 | 123.2° | 123.0° |
| CR5 | CR4 | OR6 | H73 | 118.5° | 123.0° |
| CR5 | CR4 | CR3 | CR2 | 136.4° | 155.5° |
| CR5 | CR4 | CR3 | OP2 | 102.8° | 86.3° |
| CR5 | CR4 | OR6 | CR1 | 125.3° | 158.6° |
| CR5 | CR4 | CR3 | H72 | 18.6° | 37.4° |
| CR4 | CR5 | H74 | H75 | 118.7° | 120.0° |
| CR4 | CR5 | OR8 | H96 | 180.0° | 171.7° |
| OP4 | P1 | OP2 | CR3 | 51.9° | 71.5° |
| OP4 | P1 | OP5 | OP2 | 125.5° | 120.0° |
| OP4 | P1 | OP5 | OP3 | 125.9° | 120.0° |
| OP4 | P1 | OP2 | OP3 | 116.6° | 120.0° |
| OP4 | P1 | OP3 | CPR2 | 56.0° | 56.0° |
| OP4 | P1 | OP5 | H95 | 0.0° | 180.0° |
| N45 | C43 | O44 | C42 | 166.7° | 180.0° |
| N45 | C43 | C42 | C41 | 176.8° | 180.0° |
| N45 | C43 | C42 | H38 | 56.5° | 60.0° |
| N45 | C43 | C42 | H39 | 62.9° | 60.0° |
| C43 | N45 | H86 | H87 | 180.0° | 180.0° |
| CR3 | CR4 | OR6 | H73 | 117.6° | 118.5° |
| CR4 | CR3 | CR2 | OP2 | 117.4° | 118.2° |
| CR4 | CR3 | CR2 | H72 | 117.8° | 118.2° |
| CR4 | CR3 | OP2 | H72 | 120.5° | 123.7° |
| CR3 | CR4 | OR6 | CR1 | 1.4° | 40.1° |
| CR4 | CR3 | CR2 | CR1 | 26.3° | 20.9° |
| CR4 | CR3 | OP2 | P1 | 136.4° | 127.0° |
| CR4 | CR3 | CR2 | OR7 | 89.8° | 97.8° |
| CR4 | CR3 | CR2 | H71 | 145.5° | 139.6° |
| CR3 | CR4 | CR5 | H74 | 71.2° | 56.6° |
| CR3 | CR4 | CR5 | H75 | 47.9° | 63.4° |
| OR6 | CR4 | CR3 | CR2 | 17.9° | 37.0° |
| OR6 | CR4 | CR3 | OP2 | 138.7° | 155.2° |
| CR4 | OR6 | CR1 | CR2 | 15.6° | 26.5° |
| CR4 | OR6 | CR1 | NB1 | 133.9° | 92.9° |
| CR4 | OR6 | CR1 | H70 | 103.8° | 146.0° |
| OR6 | CR4 | CR3 | H72 | 100.0° | 81.2° |
| OR6 | CR4 | CR5 | H74 | 46.9° | 170.7° |
| OR6 | CR4 | CR5 | H75 | 166.0° | 50.7° |
| CR2 | CR3 | OP2 | H72 | 124.1° | 123.6° |
| CR3 | CR2 | CR1 | OR6 | 26.0° | 2.0° |
| CR3 | CR2 | CR1 | OR7 | 115.2° | 118.7° |
| CR3 | CR2 | CR1 | H71 | 119.4° | 118.8° |
| CR3 | CR2 | CR1 | NB1 | 143.2° | 117.4° |
| CR2 | CR3 | OP2 | P1 | 108.2° | 120.3° |
| CR3 | CR2 | OR7 | H71 | 123.6° | 122.7° |
| CR3 | CR2 | CR1 | H70 | 94.6° | 121.6° |
| CR2 | CR3 | CR4 | H73 | 100.4° | 81.5° |
| CR3 | CR2 | OR7 | H94 | 180.0° | 176.2° |
| OP2 | CR3 | CR2 | CR1 | 143.7° | 139.1° |
| CR3 | OP2 | P1 | OP5 | 79.7° | 48.5° |
| CR3 | OP2 | P1 | OP3 | 168.5° | 168.5° |
| OP2 | CR3 | CR2 | OR7 | 27.5° | 20.4° |
| OP2 | CR3 | CR2 | H71 | 97.1° | 102.2° |
| OP2 | CR3 | CR4 | H73 | 20.5° | 36.7° |
| OR6 | CR1 | CR2 | NB1 | 117.2° | 119.4° |
| OR6 | CR1 | CR2 | H70 | 120.7° | 119.5° |
| OR6 | CR1 | NB1 | H70 | 122.7° | 121.1° |
| OR6 | CR1 | CR2 | OR7 | 89.2° | 120.7° |
| OR6 | CR1 | NB1 | CB8 | 151.2° | 157.2° |
| OR6 | CR1 | NB1 | CB2 | 28.7° | 22.5° |
| OR6 | CR1 | CR2 | H71 | 145.5° | 116.8° |
| CR1 | OR6 | CR4 | H73 | 116.2° | 78.4° |
| C50 | C49 | C48 | H48 | 120.1° | 120.0° |
| C50 | C49 | C48 | H49 | 120.1° | 120.0° |
| C49 | C50 | N52 | O51 | 170.5° | 180.0° |
| C50 | C49 | C48 | C13 | 42.3° | 178.0° |
| C50 | C49 | C48 | H46 | 163.2° | 62.0° |
| C50 | C49 | C48 | H47 | 78.8° | 58.0° |
| C50 | C49 | H48 | H49 | 119.7° | 120.0° |
| C49 | C50 | N52 | H88 | 170.5° | 4.9° |
| C49 | C50 | N52 | H89 | 9.5° | 175.0° |
| C48 | C49 | C50 | N52 | 115.5° | 175.0° |
| C48 | C49 | C50 | O51 | 73.7° | 5.0° |
| C49 | C48 | C13 | H46 | 121.0° | 120.0° |
| C49 | C48 | C13 | H47 | 121.0° | 120.0° |
| C49 | C48 | C13 | C12 | 76.6° | 91.0° |
| C49 | C48 | C13 | C14 | 168.6° | 156.3° |
| C49 | C48 | C13 | H10 | 48.8° | 33.7° |
| C49 | C48 | H46 | H47 | 116.8° | 120.0° |
| C48 | C49 | H48 | H49 | 119.7° | 120.0° |
| N52 | C50 | C49 | H48 | 4.6° | 65.0° |
| N52 | C50 | C49 | H49 | 124.4° | 55.0° |
| C50 | N52 | H88 | H89 | 180.0° | 179.9° |
| CR2 | CR1 | NB1 | H70 | 121.4° | 121.1° |
| CR1 | CR2 | OR7 | H71 | 124.2° | 122.5° |
| CR2 | CR1 | NB1 | CB8 | 92.9° | 85.0° |
| CR2 | CR1 | NB1 | CB2 | 87.2° | 95.3° |
| CR1 | CR2 | CR3 | H72 | 91.5° | 97.4° |
| CR1 | CR2 | OR7 | H94 | 67.9° | 61.5° |
| NB1 | CR1 | CR2 | OR7 | 28.0° | 1.3° |
| CR1 | NB1 | CB8 | CB7 | 0.1° | 0.3° |
| CR1 | NB1 | CB8 | CB2 | 179.9° | 179.8° |
| CR1 | NB1 | CB8 | CB9 | 179.9° | 179.8° |
| CR1 | NB1 | CB2 | NB3 | 179.8° | 179.8° |
| CR1 | NB1 | CB2 | H3 | 0.3° | 0.3° |
| NB1 | CR1 | CR2 | H71 | 97.3° | 123.8° |
| OP5 | P1 | OP2 | OP3 | 111.8° | 120.0° |
| OP5 | P1 | OP3 | CPR2 | 173.6° | 64.0° |
| OP2 | P1 | OP3 | CPR2 | 57.7° | 176.0° |
| P1 | OP2 | CR3 | H72 | 15.9° | 3.3° |
| OP2 | P1 | OP5 | H95 | 125.5° | 60.0° |
| P1 | OP3 | CPR2 | CPR3 | 106.6° | 91.1° |
| P1 | OP3 | CPR2 | CPR1 | 134.5° | 148.9° |
| P1 | OP3 | CPR2 | H1 | 14.3° | 28.9° |
| OP3 | P1 | OP5 | H95 | 125.9° | 60.0° |
| O51 | C50 | C49 | H48 | 166.2° | 115.0° |
| O51 | C50 | C49 | H49 | 46.4° | 125.0° |
| O51 | C50 | N52 | H88 | 0.0° | 175.0° |
| O51 | C50 | N52 | H89 | 180.0° | 5.0° |
| O44 | C43 | C42 | C41 | 16.4° | 0.1° |
| O44 | C43 | C42 | H38 | 136.7° | 120.0° |
| O44 | C43 | C42 | H39 | 103.9° | 120.0° |
| O44 | C43 | N45 | H86 | 0.0° | 0.0° |
| O44 | C43 | N45 | H87 | 180.0° | 179.9° |
| C43 | C42 | C41 | H38 | 120.3° | 119.9° |
| C43 | C42 | C41 | H39 | 120.3° | 120.0° |
| C43 | C42 | C41 | C8 | 176.3° | 178.4° |
| C43 | C42 | C41 | H36 | 54.7° | 58.4° |
| C43 | C42 | C41 | H37 | 62.1° | 61.6° |
| C43 | C42 | H38 | H39 | 119.1° | 120.0° |
| C42 | C43 | N45 | H86 | 167.1° | 180.0° |
| C42 | C43 | N45 | H87 | 12.8° | 0.0° |
| CPR3 | CPR2 | OP3 | CPR1 | 118.9° | 119.9° |
| CPR3 | CPR2 | OP3 | H1 | 120.9° | 120.0° |
| CPR3 | CPR2 | CPR1 | H1 | 122.6° | 120.0° |
| CPR3 | CPR2 | CPR1 | N59 | 178.1° | 176.1° |
| CPR3 | CPR2 | CPR1 | H11 | 57.2° | 64.0° |
| CPR3 | CPR2 | CPR1 | H12 | 61.0° | 56.1° |
| CPR2 | CPR3 | H93 | H13 | 120.0° | 120.0° |
| CPR2 | CPR3 | H93 | H67 | 120.0° | 120.1° |
| CPR2 | CPR3 | H13 | H67 | 120.0° | 120.1° |
| CB11 | CB6 | CB7 | CB5 | 180.0° | 180.0° |
| CB11 | CB6 | CB7 | CB8 | 180.0° | 180.0° |
| CB11 | CB6 | CB5 | CB10 | 0.0° | 0.0° |
| CB11 | CB6 | CB5 | CB4 | 180.0° | 180.0° |
| CB11 | CB6 | CB7 | H69 | 0.0° | 0.1° |
| CB6 | CB11 | H99 | H98 | 120.0° | 120.0° |
| CB6 | CB11 | H99 | H97 | 120.0° | 120.0° |
| CB6 | CB11 | H98 | H97 | 120.0° | 120.0° |
| OR7 | CR2 | CR1 | H70 | 150.1° | 119.7° |
| OR7 | CR2 | CR3 | H72 | 152.4° | 144.0° |
| CB6 | CB7 | CB8 | H69 | 180.0° | 179.9° |
| CB6 | CB7 | CB8 | NB1 | 180.0° | 179.9° |
| CB6 | CB7 | CB8 | CB9 | 0.0° | 0.1° |
| CB7 | CB6 | CB5 | CB10 | 180.0° | 180.0° |
| CB7 | CB6 | CB5 | CB4 | 0.0° | 0.0° |
| CB7 | CB6 | CB11 | H99 | 90.0° | 90.0° |
| CB7 | CB6 | CB11 | H98 | 150.0° | 30.0° |
| CB7 | CB6 | CB11 | H97 | 30.0° | 150.0° |
| CB8 | CB7 | CB6 | CB5 | 0.0° | 0.0° |
| CB7 | CB8 | NB1 | CB9 | 180.0° | 179.9° |
| CB7 | CB8 | NB1 | CB2 | 179.8° | 179.9° |
| CB7 | CB8 | CB9 | CB4 | 0.0° | 0.1° |
| CB7 | CB8 | CB9 | NB3 | 180.0° | 180.0° |
| C47 | C12 | C13 | C48 | 28.0° | 3.3° |
| C47 | C12 | C13 | C11 | 125.0° | 118.1° |
| C47 | C12 | C13 | C46 | 123.2° | 123.7° |
| C47 | C12 | C11 | C46 | 115.9° | 122.8° |
| C47 | C12 | C13 | C14 | 146.0° | 120.5° |
| C47 | C12 | C11 | C10 | 32.1° | 54.9° |
| C47 | C12 | C11 | N23 | 145.9° | 124.1° |
| C47 | C12 | C13 | H10 | 97.4° | 121.0° |
| C47 | C12 | C46 | H40 | 180.0° | 64.0° |
| C47 | C12 | C46 | H41 | 60.0° | 56.0° |
| C47 | C12 | C46 | H42 | 60.0° | 176.1° |
| C12 | C47 | H43 | H44 | 120.0° | 120.0° |
| C12 | C47 | H43 | H45 | 120.0° | 120.1° |
| C12 | C47 | H44 | H45 | 120.0° | 120.0° |
| OP3 | CPR2 | CPR1 | H1 | 120.9° | 120.1° |
| OP3 | CPR2 | CPR1 | N59 | 61.6° | 56.1° |
| OP3 | CPR2 | CPR1 | H11 | 59.3° | 176.1° |
| OP3 | CPR2 | CPR1 | H12 | 177.4° | 63.9° |
| OP3 | CPR2 | CPR3 | H93 | 180.0° | 60.0° |
| OP3 | CPR2 | CPR3 | H13 | 60.0° | 60.0° |
| OP3 | CPR2 | CPR3 | H67 | 60.0° | 180.0° |
| CPR2 | CPR1 | N59 | H11 | 120.9° | 119.9° |
| CPR2 | CPR1 | N59 | H12 | 120.9° | 120.0° |
| CPR2 | CPR1 | N59 | C57 | 73.3° | 170.2° |
| CPR2 | CPR1 | N59 | H90 | 106.7° | 9.9° |
| CPR2 | CPR1 | H11 | H12 | 117.2° | 120.1° |
| CPR1 | CPR2 | CPR3 | H93 | 64.0° | 60.0° |
| CPR1 | CPR2 | CPR3 | H13 | 56.0° | 180.0° |
| CPR1 | CPR2 | CPR3 | H67 | 176.0° | 60.0° |
| C48 | C13 | C12 | C14 | 118.0° | 117.2° |
| C48 | C13 | C12 | H10 | 125.4° | 124.3° |
| C48 | C13 | C12 | C11 | 97.0° | 114.8° |
| C48 | C13 | C12 | C46 | 151.2° | 126.9° |
| C48 | C13 | C14 | H10 | 119.8° | 122.8° |
| C48 | C13 | C14 | N23 | 103.1° | 119.0° |
| C48 | C13 | C14 | C15 | 65.2° | 59.0° |
| C13 | C48 | H46 | H47 | 116.9° | 120.0° |
| C13 | C48 | C49 | H48 | 77.8° | 58.0° |
| C13 | C48 | C49 | H49 | 162.3° | 62.0° |
| CB6 | CB5 | CB10 | CB4 | 180.0° | 180.0° |
| CB6 | CB5 | CB4 | CB9 | 0.0° | 0.0° |
| CB6 | CB5 | CB4 | H68 | 180.0° | 180.0° |
| CB5 | CB6 | CB7 | H69 | 180.0° | 180.0° |
| CB6 | CB5 | CB10 | H101 | 90.0° | 90.0° |
| CB6 | CB5 | CB10 | H100 | 150.0° | 29.9° |
| CB6 | CB5 | CB10 | H102 | 30.0° | 150.0° |
| CB5 | CB6 | CB11 | H99 | 90.0° | 90.0° |
| CB5 | CB6 | CB11 | H98 | 30.0° | 150.0° |
| CB5 | CB6 | CB11 | H97 | 150.0° | 30.0° |
| CB8 | NB1 | CB2 | NB3 | 0.3° | 0.0° |
| NB1 | CB8 | CB9 | CB4 | 180.0° | 180.0° |
| NB1 | CB8 | CB9 | NB3 | 0.0° | 0.0° |
| CB8 | NB1 | CB2 | H3 | 179.7° | 179.9° |
| NB1 | CB8 | CB7 | H69 | 0.0° | 0.0° |
| CB8 | NB1 | CR1 | H70 | 28.5° | 36.1° |
| CB2 | NB1 | CB8 | CB9 | 0.2° | 0.0° |
| NB1 | CB2 | NB3 | H3 | 180.0° | 179.9° |
| NB1 | CB2 | NB3 | CB9 | 0.3° | 0.0° |
| CB2 | NB1 | CR1 | H70 | 151.4° | 143.7° |
| C42 | C41 | C8 | H36 | 121.6° | 120.1° |
| C42 | C41 | C8 | H37 | 121.6° | 120.0° |
| C42 | C41 | C8 | C9 | 41.2° | 65.1° |
| C42 | C41 | C8 | C7 | 153.6° | 177.8° |
| C42 | C41 | H36 | H37 | 115.0° | 120.0° |
| C41 | C42 | H38 | H39 | 119.1° | 120.0° |
| C42 | C41 | C8 | H65 | 79.4° | 57.8° |
| CB8 | CB9 | NB3 | CB2 | 0.2° | 0.0° |
| CB8 | CB9 | CB4 | CB5 | 0.0° | 0.1° |
| CB8 | CB9 | CB4 | NB3 | 180.0° | 179.9° |
| CB8 | CB9 | CB4 | H68 | 180.0° | 180.0° |
| CB9 | CB8 | CB7 | H69 | 180.0° | 179.9° |
| C13 | C12 | C11 | C46 | 114.7° | 118.7° |
| C12 | C13 | C14 | H10 | 116.3° | 119.2° |
| C13 | C12 | C11 | C10 | 161.5° | 173.4° |
| C13 | C12 | C11 | N23 | 16.5° | 5.5° |
| C12 | C13 | C14 | N23 | 20.8° | 1.0° |
| C12 | C13 | C14 | C15 | 170.9° | 177.0° |
| C13 | C12 | C46 | H40 | 48.9° | 60.0° |
| C13 | C12 | C46 | H41 | 71.1° | 180.0° |
| C13 | C12 | C46 | H42 | 168.9° | 60.0° |
| C13 | C12 | C47 | H43 | 180.0° | 61.6° |
| C13 | C12 | C47 | H44 | 60.0° | 178.3° |
| C13 | C12 | C47 | H45 | 60.0° | 58.4° |
| C12 | C13 | C48 | H46 | 44.4° | 149.0° |
| C12 | C13 | C48 | H47 | 162.4° | 29.0° |
| C11 | C12 | C13 | C14 | 21.0° | 2.4° |
| C12 | C11 | C10 | N23 | 177.8° | 178.7° |
| C12 | C11 | C10 | C9 | 172.8° | 175.1° |
| C12 | C11 | N23 | C14 | 3.9° | 6.5° |
| C12 | C11 | N23 | CO1 | 170.9° | 174.8° |
| C12 | C11 | C10 | H9 | 7.2° | 5.7° |
| C11 | C12 | C13 | H10 | 137.6° | 120.9° |
| C11 | C12 | C46 | H40 | 59.2° | 173.3° |
| C11 | C12 | C46 | H41 | 179.2° | 66.6° |
| C11 | C12 | C46 | H42 | 60.8° | 53.4° |
| C11 | C12 | C47 | H43 | 61.2° | 51.6° |
| C11 | C12 | C47 | H44 | 178.7° | 68.4° |
| C11 | C12 | C47 | H45 | 58.7° | 171.6° |
| C46 | C12 | C13 | C14 | 90.8° | 115.8° |
| C46 | C12 | C11 | C10 | 83.8° | 67.9° |
| C46 | C12 | C11 | N23 | 98.2° | 113.2° |
| C46 | C12 | C13 | H10 | 25.8° | 2.6° |
| C12 | C46 | H40 | H41 | 120.0° | 120.0° |
| C12 | C46 | H40 | H42 | 120.0° | 120.0° |
| C12 | C46 | H41 | H42 | 120.0° | 120.1° |
| C46 | C12 | C47 | H43 | 54.8° | 174.3° |
| C46 | C12 | C47 | H44 | 65.2° | 54.3° |
| C46 | C12 | C47 | H45 | 174.8° | 65.6° |
| CB2 | NB3 | CB9 | CB4 | 179.8° | 180.0° |
| C13 | C14 | N23 | C11 | 11.3° | 4.7° |
| C13 | C14 | N23 | C15 | 168.2° | 177.6° |
| C13 | C14 | N23 | CO1 | 174.3° | 176.7° |
| C13 | C14 | C15 | C53 | 22.6° | 3.7° |
| C13 | C14 | C15 | C16 | 175.7° | 176.7° |
| C14 | C13 | C48 | H46 | 70.4° | 36.3° |
| C14 | C13 | C48 | H47 | 47.6° | 83.7° |
| CB10 | CB5 | CB4 | CB9 | 180.0° | 180.0° |
| CB10 | CB5 | CB4 | H68 | 0.0° | 0.0° |
| CB5 | CB10 | H101 | H100 | 120.0° | 120.0° |
| CB5 | CB10 | H101 | H102 | 120.0° | 120.0° |
| CB5 | CB10 | H100 | H102 | 120.0° | 120.0° |
| CB5 | CB4 | CB9 | H68 | 180.0° | 180.0° |
| CB5 | CB4 | CB9 | NB3 | 180.0° | 180.0° |
| CB4 | CB5 | CB10 | H101 | 90.0° | 90.0° |
| CB4 | CB5 | CB10 | H100 | 30.0° | 150.1° |
| CB4 | CB5 | CB10 | H102 | 150.0° | 30.0° |
| O58 | C57 | N59 | CPR1 | 0.0° | 7.5° |
| O58 | C57 | N59 | C56 | 179.9° | 180.0° |
| O58 | C57 | C56 | C55 | 90.5° | 11.0° |
| O58 | C57 | C56 | H59 | 30.0° | 109.0° |
| O58 | C57 | C56 | H60 | 149.0° | 131.0° |
| O58 | C57 | N59 | H90 | 180.0° | 172.4° |
| C41 | C8 | C9 | C10 | 98.0° | 65.0° |
| C41 | C8 | C9 | C7 | 122.9° | 118.3° |
| C41 | C8 | C9 | H65 | 120.3° | 123.5° |
| C41 | C8 | C7 | H65 | 127.0° | 124.3° |
| C41 | C8 | C9 | N22 | 91.8° | 117.4° |
| C41 | C8 | C7 | C36 | 41.5° | 3.4° |
| C41 | C8 | C7 | C6 | 85.5° | 115.3° |
| C41 | C8 | C7 | C37 | 161.3° | 126.8° |
| C8 | C41 | H36 | H37 | 115.0° | 120.0° |
| C8 | C41 | C42 | H38 | 63.4° | 58.5° |
| C8 | C41 | C42 | H39 | 56.0° | 61.6° |
| CPR1 | N59 | C57 | H90 | 180.0° | 179.9° |
| CPR1 | N59 | C57 | C56 | 179.9° | 172.4° |
| N59 | CPR1 | H11 | H12 | 117.2° | 120.0° |
| N59 | CPR1 | CPR2 | H1 | 59.3° | 63.9° |
| CB9 | NB3 | CB2 | H3 | 179.7° | 179.9° |
| NB3 | CB9 | CB4 | H68 | 0.0° | 0.0° |
| C11 | C10 | C9 | H9 | 180.0° | 179.2° |
| C11 | C10 | C9 | C8 | 167.4° | 178.1° |
| C10 | C11 | N23 | C14 | 174.1° | 172.3° |
| C11 | C10 | C9 | N22 | 1.1° | 4.7° |
| C10 | C11 | N23 | CO1 | 11.2° | 6.4° |
| C9 | C10 | C11 | N23 | 9.4° | 3.7° |
| C10 | C9 | C8 | N22 | 170.2° | 177.7° |
| C10 | C9 | C8 | C7 | 139.2° | 176.8° |
| C10 | C9 | N22 | CO1 | 3.5° | 4.6° |
| C10 | C9 | N22 | C6 | 152.4° | 179.2° |
| C10 | C9 | C8 | H65 | 22.3° | 58.5° |
| C11 | N23 | C14 | CO1 | 174.4° | 178.7° |
| C11 | N23 | C14 | C15 | 179.5° | 173.0° |
| C11 | N23 | CO1 | N22 | 5.7° | 11.9° |
| C11 | N23 | CO1 | N24 | 168.6° | 176.6° |
| C11 | N23 | CO1 | C1L | 72.8° | 86.6° |
| C11 | N23 | CO1 | N21 | 179.0° | 107.4° |
| N23 | C11 | C10 | H9 | 170.6° | 175.6° |
| N59 | C57 | C56 | C55 | 89.4° | 169.0° |
| N59 | C57 | C56 | H59 | 150.1° | 71.0° |
| N59 | C57 | C56 | H60 | 31.1° | 49.0° |
| C57 | N59 | CPR1 | H11 | 165.8° | 50.3° |
| C57 | N59 | CPR1 | H12 | 47.6° | 69.8° |
| C57 | C56 | C55 | H59 | 120.5° | 120.0° |
| C57 | C56 | C55 | H60 | 120.5° | 120.0° |
| C57 | C56 | C55 | C17 | 160.7° | 175.5° |
| C57 | C56 | C55 | H57 | 79.0° | 64.6° |
| C57 | C56 | C55 | H58 | 40.3° | 55.5° |
| C57 | C56 | H59 | H60 | 118.5° | 120.0° |
| C56 | C57 | N59 | H90 | 0.1° | 7.6° |
| C9 | C8 | C7 | H65 | 117.3° | 117.6° |
| C8 | C9 | N22 | CO1 | 173.0° | 172.8° |
| C8 | C9 | N22 | C6 | 17.1° | 1.8° |
| C9 | C8 | C7 | C36 | 157.2° | 121.5° |
| C9 | C8 | C7 | C6 | 30.2° | 2.8° |
| C9 | C8 | C7 | C37 | 83.0° | 115.1° |
| C8 | C9 | C10 | H9 | 12.6° | 2.7° |
| C9 | C8 | C41 | H36 | 162.8° | 174.8° |
| C9 | C8 | C41 | H37 | 80.3° | 54.9° |
| C7 | C8 | C9 | N22 | 31.1° | 0.9° |
| C8 | C7 | C6 | N22 | 22.8° | 4.2° |
| C8 | C7 | C36 | C6 | 114.8° | 114.0° |
| C8 | C7 | C36 | C37 | 122.5° | 123.4° |
| C8 | C7 | C6 | C37 | 117.0° | 118.3° |
| C8 | C7 | C6 | C5 | 156.4° | 177.9° |
| C8 | C7 | C37 | C38 | 72.5° | 54.8° |
| C8 | C7 | C36 | H31 | 180.0° | 177.9° |
| C8 | C7 | C36 | H32 | 60.0° | 57.8° |
| C8 | C7 | C36 | H33 | 60.0° | 62.2° |
| C8 | C7 | C37 | H34 | 166.6° | 65.2° |
| C8 | C7 | C37 | H35 | 48.4° | 174.8° |
| C7 | C8 | C41 | H36 | 84.9° | 62.1° |
| C7 | C8 | C41 | H37 | 32.0° | 57.9° |
| N23 | C14 | C15 | C53 | 171.0° | 173.9° |
| N23 | C14 | C15 | C16 | 9.3° | 5.8° |
| C14 | N23 | CO1 | N22 | 179.5° | 166.6° |
| C14 | N23 | CO1 | N24 | 5.1° | 1.9° |
| C14 | N23 | CO1 | C1L | 100.9° | 94.9° |
| C14 | N23 | CO1 | N21 | 7.3° | 71.1° |
| N23 | C14 | C13 | H10 | 137.1° | 118.2° |
| C15 | C14 | N23 | CO1 | 6.1° | 5.7° |
| C14 | C15 | C53 | C16 | 162.0° | 179.7° |
| C14 | C15 | C16 | N24 | 3.1° | 2.5° |
| C14 | C15 | C16 | C17 | 176.1° | 174.4° |
| C15 | C14 | C13 | H10 | 54.5° | 63.8° |
| C14 | C15 | C53 | H51 | 180.0° | 5.7° |
| C14 | C15 | C53 | H52 | 60.0° | 125.7° |
| C14 | C15 | C53 | H53 | 60.0° | 114.2° |
| C9 | N22 | CO1 | N23 | 1.1° | 11.1° |
| C9 | N22 | CO1 | C6 | 151.8° | 173.6° |
| C9 | N22 | CO1 | N24 | 141.4° | 115.4° |
| C9 | N22 | CO1 | C1L | 85.4° | 87.6° |
| C9 | N22 | CO1 | N21 | 178.1° | 172.6° |
| C9 | N22 | C6 | C7 | 4.6° | 3.8° |
| C9 | N22 | C6 | C5 | 174.6° | 178.7° |
| N22 | C9 | C10 | H9 | 178.9° | 174.6° |
| N22 | C9 | C8 | H65 | 147.9° | 119.2° |
| N23 | CO1 | N22 | N24 | 140.2° | 104.3° |
| N23 | CO1 | N22 | C1L | 84.2° | 98.7° |
| N23 | CO1 | N22 | N21 | 179.3° | 161.5° |
| N23 | CO1 | N22 | C6 | 150.6° | 175.3° |
| N23 | CO1 | N24 | C1L | 85.7° | 97.1° |
| N23 | CO1 | N24 | N21 | 178.6° | 162.7° |
| N23 | CO1 | C1L | N21 | 174.0° | 175.5° |
| N23 | CO1 | N24 | C16 | 18.2° | 0.8° |
| N23 | CO1 | N24 | C19 | 176.1° | 175.2° |
| N23 | CO1 | C1L | C2L | 85.3° | 163.1° |
| N23 | CO1 | N21 | C1 | 14.6° | 59.3° |
| N23 | CO1 | N21 | C4 | 168.4° | 117.5° |
| C53 | C15 | C16 | N24 | 158.1° | 177.1° |
| C53 | C15 | C16 | C17 | 14.9° | 5.9° |
| C15 | C53 | H51 | H52 | 120.0° | 120.0° |
| C15 | C53 | H51 | H53 | 120.0° | 120.0° |
| C15 | C53 | H52 | H53 | 120.0° | 120.0° |
| C56 | C55 | C17 | C16 | 39.8° | 53.3° |
| C56 | C55 | C17 | H57 | 120.4° | 119.9° |
| C56 | C55 | C17 | H58 | 120.3° | 120.1° |
| C56 | C55 | C17 | C18 | 73.2° | 60.9° |
| C56 | C55 | C17 | C54 | 163.6° | 175.8° |
| C56 | C55 | H57 | H58 | 118.9° | 120.1° |
| C55 | C56 | H59 | H60 | 118.6° | 120.0° |
| C15 | C16 | N24 | CO1 | 19.8° | 0.4° |
| C15 | C16 | N24 | C17 | 174.1° | 177.4° |
| C15 | C16 | C17 | C55 | 41.1° | 49.2° |
| C15 | C16 | N24 | C19 | 177.8° | 175.6° |
| C15 | C16 | C17 | C18 | 159.0° | 167.9° |
| C15 | C16 | C17 | C54 | 84.8° | 73.5° |
| C16 | C15 | C53 | H51 | 18.0° | 174.6° |
| C16 | C15 | C53 | H52 | 138.0° | 54.6° |
| C16 | C15 | C53 | H53 | 102.0° | 65.4° |
| O39 | C38 | C37 | C7 | 76.7° | 5.0° |
| O39 | C38 | C37 | N40 | 162.0° | 179.9° |
| O39 | C38 | C37 | H34 | 162.4° | 125.0° |
| O39 | C38 | C37 | H35 | 44.2° | 115.0° |
| O39 | C38 | N40 | H84 | 0.0° | 180.0° |
| O39 | C38 | N40 | H85 | 180.0° | 0.1° |
| N22 | CO1 | N24 | C1L | 54.9° | 157.1° |
| N22 | CO1 | N24 | N21 | 40.7° | 56.9° |
| N22 | CO1 | C1L | N21 | 87.3° | 85.6° |
| CO1 | N22 | C6 | C7 | 149.8° | 170.5° |
| N22 | CO1 | N24 | C16 | 158.8° | 105.0° |
| CO1 | N22 | C6 | C5 | 30.9° | 7.0° |
| N22 | CO1 | N24 | C19 | 43.3° | 79.0° |
| N22 | CO1 | C1L | C2L | 13.4° | 64.3° |
| N22 | CO1 | N21 | C1 | 158.7° | 156.9° |
| N22 | CO1 | N21 | C4 | 18.3° | 19.9° |
| C6 | N22 | CO1 | N24 | 10.4° | 71.0° |
| C6 | N22 | CO1 | C1L | 66.4° | 86.0° |
| C6 | N22 | CO1 | N21 | 30.1° | 13.8° |
| N22 | C6 | C7 | C36 | 142.8° | 123.2° |
| N22 | C6 | C7 | C5 | 179.2° | 177.9° |
| N22 | C6 | C7 | C37 | 94.2° | 114.0° |
| N22 | C6 | C5 | C4 | 8.8° | 4.9° |
| N22 | C6 | C5 | C35 | 166.4° | 176.7° |
| N24 | CO1 | C1L | N21 | 85.3° | 88.2° |
| CO1 | N24 | C16 | C19 | 158.1° | 176.1° |
| CO1 | N24 | C16 | C17 | 166.1° | 177.9° |
| N24 | CO1 | C1L | C2L | 174.0° | 109.6° |
| N24 | CO1 | N21 | C1 | 27.1° | 9.8° |
| N24 | CO1 | N21 | C4 | 155.9° | 173.4° |
| CO1 | N24 | C19 | C18 | 147.0° | 164.3° |
| CO1 | N24 | C19 | C1 | 20.6° | 46.3° |
| CO1 | N24 | C19 | H15 | 97.8° | 73.6° |
| C1L | CO1 | N24 | C16 | 103.9° | 97.9° |
| C1L | CO1 | N24 | C19 | 98.2° | 78.1° |
| C1L | CO1 | N21 | C1 | 122.3° | 106.6° |
| C1L | CO1 | N21 | C4 | 60.8° | 76.6° |
| CO1 | C1L | C2L | C3L | 19.1° | 121.5° |
| N21 | CO1 | N24 | C16 | 160.5° | 161.9° |
| CO1 | N21 | C1 | C20 | 74.0° | 82.8° |
| N21 | CO1 | N24 | C19 | 2.6° | 22.1° |
| N21 | CO1 | C1L | C2L | 100.7° | 21.4° |
| CO1 | N21 | C1 | C4 | 177.5° | 177.9° |
| CO1 | N21 | C4 | C5 | 4.7° | 13.9° |
| CO1 | N21 | C1 | C19 | 42.4° | 37.1° |
| CO1 | N21 | C1 | C2 | 165.1° | 155.5° |
| CO1 | N21 | C4 | C3 | 172.6° | 169.2° |
| C36 | C7 | C6 | C37 | 123.0° | 122.8° |
| C36 | C7 | C6 | C5 | 36.4° | 58.9° |
| C36 | C7 | C37 | C38 | 48.6° | 68.8° |
| C7 | C36 | H31 | H32 | 120.0° | 120.0° |
| C7 | C36 | H31 | H33 | 120.0° | 120.0° |
| C7 | C36 | H32 | H33 | 120.0° | 120.1° |
| C36 | C7 | C37 | H34 | 72.2° | 171.2° |
| C36 | C7 | C37 | H35 | 169.5° | 51.2° |
| C36 | C7 | C8 | H65 | 85.5° | 120.9° |
| C6 | C7 | C37 | C38 | 178.9° | 168.3° |
| C7 | C6 | C5 | C4 | 172.1° | 177.7° |
| C7 | C6 | C5 | C35 | 14.5° | 0.7° |
| C6 | C7 | C36 | H31 | 65.2° | 68.2° |
| C6 | C7 | C36 | H32 | 174.8° | 171.8° |
| C6 | C7 | C36 | H33 | 54.8° | 51.8° |
| C6 | C7 | C37 | H34 | 58.0° | 48.3° |
| C6 | C7 | C37 | H35 | 60.2° | 71.7° |
| C6 | C7 | C8 | H65 | 147.4° | 120.4° |
| C37 | C7 | C6 | C5 | 86.6° | 63.9° |
| C7 | C37 | C38 | H34 | 120.9° | 120.0° |
| C7 | C37 | C38 | H35 | 120.9° | 120.0° |
| C7 | C37 | C38 | N40 | 121.3° | 174.9° |
| C37 | C7 | C36 | H31 | 57.5° | 54.4° |
| C37 | C7 | C36 | H32 | 62.5° | 65.6° |
| C37 | C7 | C36 | H33 | 177.5° | 174.4° |
| C7 | C37 | H34 | H35 | 117.3° | 120.0° |
| C37 | C7 | C8 | H65 | 34.3° | 2.4° |
| N24 | C16 | C17 | C55 | 145.2° | 133.7° |
| N24 | C16 | C17 | C18 | 27.3° | 15.1° |
| N24 | C16 | C17 | C54 | 88.9° | 103.6° |
| C16 | N24 | C19 | C18 | 15.4° | 18.4° |
| C16 | N24 | C19 | C1 | 141.8° | 136.3° |
| C16 | N24 | C19 | H15 | 99.9° | 103.8° |
| C16 | C17 | C55 | C18 | 112.9° | 114.3° |
| C16 | C17 | C55 | C54 | 123.8° | 122.5° |
| C17 | C16 | N24 | C19 | 8.1° | 1.8° |
| C16 | C17 | C18 | C54 | 111.5° | 118.4° |
| C16 | C17 | C18 | C19 | 35.1° | 23.8° |
| C16 | C17 | C18 | C60 | 160.3° | 141.0° |
| C16 | C17 | C18 | H14 | 79.3° | 93.8° |
| C16 | C17 | C54 | H54 | 180.0° | 58.6° |
| C16 | C17 | C54 | H55 | 60.0° | 178.5° |
| C16 | C17 | C54 | H56 | 60.0° | 61.5° |
| C16 | C17 | C55 | H57 | 160.1° | 66.6° |
| C16 | C17 | C55 | H58 | 80.6° | 173.4° |
| C55 | C17 | C18 | C54 | 122.2° | 123.1° |
| C55 | C17 | C18 | C19 | 161.3° | 142.3° |
| C55 | C17 | C18 | C60 | 73.5° | 100.5° |
| C55 | C17 | C18 | H14 | 46.9° | 24.7° |
| C55 | C17 | C54 | H54 | 48.4° | 178.8° |
| C55 | C17 | C54 | H55 | 71.6° | 58.9° |
| C55 | C17 | C54 | H56 | 168.4° | 61.1° |
| C17 | C55 | H57 | H58 | 118.9° | 120.0° |
| C17 | C55 | C56 | H59 | 40.2° | 55.5° |
| C17 | C55 | C56 | H60 | 78.9° | 64.5° |
| C6 | C5 | C4 | N21 | 4.9° | 2.7° |
| C6 | C5 | C4 | C35 | 159.3° | 178.3° |
| C6 | C5 | C4 | C3 | 161.5° | 173.5° |
| C6 | C5 | C35 | H28 | 180.0° | 173.8° |
| C6 | C5 | C35 | H29 | 60.0° | 53.8° |
| C6 | C5 | C35 | H30 | 60.0° | 66.2° |
| C38 | C37 | H34 | H35 | 117.2° | 120.0° |
| C37 | C38 | N40 | H84 | 161.9° | 0.1° |
| C37 | C38 | N40 | H85 | 18.1° | 180.0° |
| N40 | C38 | C37 | H34 | 0.4° | 55.0° |
| N40 | C38 | C37 | H35 | 117.8° | 65.1° |
| C38 | N40 | H84 | H85 | 180.0° | 179.9° |
| C20 | C1 | C19 | N24 | 80.9° | 68.5° |
| C20 | C1 | N21 | C19 | 116.4° | 119.9° |
| C20 | C1 | N21 | C2 | 120.8° | 121.8° |
| C20 | C1 | N21 | C4 | 103.5° | 95.1° |
| C20 | C1 | C19 | C18 | 35.9° | 45.9° |
| C20 | C1 | C19 | C2 | 131.9° | 125.6° |
| C20 | C1 | C2 | C3 | 89.1° | 93.7° |
| C20 | C1 | C2 | C25 | 34.3° | 23.7° |
| C20 | C1 | C2 | C26 | 158.7° | 147.4° |
| C20 | C1 | C19 | H15 | 160.3° | 172.4° |
| C1 | C20 | H16 | H17 | 120.0° | 120.0° |
| C1 | C20 | H16 | H18 | 120.0° | 120.0° |
| C1 | C20 | H17 | H18 | 120.0° | 120.0° |
| N24 | C19 | C18 | C17 | 31.8° | 25.9° |
| N24 | C19 | C1 | N21 | 38.0° | 51.2° |
| N24 | C19 | C18 | C1 | 120.3° | 111.3° |
| N24 | C19 | C18 | H15 | 115.6° | 121.9° |
| N24 | C19 | C18 | C60 | 157.6° | 143.2° |
| N24 | C19 | C1 | H15 | 118.8° | 119.1° |
| N24 | C19 | C1 | C2 | 147.2° | 165.8° |
| N24 | C19 | C18 | H14 | 82.4° | 92.3° |
| C1L | C2L | C3L | C4L | 58.7° | 174.6° |
| C1L | C2L | C3L | C8L | 121.2° | 5.7° |
| C17 | C18 | C19 | C60 | 125.8° | 117.3° |
| C17 | C18 | C19 | H14 | 114.1° | 118.2° |
| C17 | C18 | C60 | H14 | 120.4° | 125.3° |
| C17 | C18 | C19 | C1 | 152.0° | 137.2° |
| C17 | C18 | C60 | C61 | 116.4° | 70.2° |
| C17 | C18 | C19 | H15 | 83.8° | 96.0° |
| C18 | C17 | C54 | H54 | 72.9° | 55.7° |
| C18 | C17 | C54 | H55 | 167.1° | 64.3° |
| C18 | C17 | C54 | H56 | 47.2° | 175.8° |
| C18 | C17 | C55 | H57 | 47.2° | 179.1° |
| C18 | C17 | C55 | H58 | 166.5° | 59.1° |
| C17 | C18 | C60 | H62 | 4.3° | 49.8° |
| C17 | C18 | C60 | H63 | 122.9° | 169.9° |
| C54 | C17 | C18 | C19 | 76.5° | 94.5° |
| C54 | C17 | C18 | C60 | 48.8° | 22.6° |
| C54 | C17 | C18 | H14 | 169.2° | 147.8° |
| C17 | C54 | H54 | H55 | 120.0° | 120.0° |
| C17 | C54 | H54 | H56 | 120.0° | 120.0° |
| C17 | C54 | H55 | H56 | 119.9° | 120.0° |
| C54 | C17 | C55 | H57 | 76.1° | 55.9° |
| C54 | C17 | C55 | H58 | 43.2° | 64.1° |
| C1 | N21 | C4 | C5 | 172.2° | 163.0° |
| N21 | C1 | C19 | C18 | 154.8° | 165.7° |
| N21 | C1 | C19 | C2 | 109.2° | 114.6° |
| C1 | N21 | C4 | C3 | 4.3° | 13.9° |
| N21 | C1 | C2 | C3 | 30.7° | 28.0° |
| N21 | C1 | C2 | C25 | 154.1° | 145.5° |
| N21 | C1 | C2 | C26 | 81.6° | 90.9° |
| N21 | C1 | C19 | H15 | 80.8° | 67.9° |
| N21 | C1 | C20 | H16 | 180.0° | 172.2° |
| N21 | C1 | C20 | H17 | 60.0° | 67.8° |
| N21 | C1 | C20 | H18 | 60.0° | 52.3° |
| N21 | C4 | C5 | C3 | 166.4° | 176.2° |
| N21 | C4 | C5 | C35 | 154.4° | 179.0° |
| C4 | N21 | C1 | C19 | 140.1° | 145.0° |
| C4 | N21 | C1 | C2 | 17.4° | 26.7° |
| N21 | C4 | C3 | C30 | 103.3° | 114.1° |
| N21 | C4 | C3 | C2 | 24.0° | 4.2° |
| N21 | C4 | C3 | H2 | 137.0° | 123.5° |
| C5L | C4L | C3L | H50 | 180.0° | 180.0° |
| C5L | C4L | C3L | C2L | 179.6° | 180.0° |
| C4L | C5L | C6L | H61 | 180.0° | 180.0° |
| C5L | C4L | C3L | C8L | 0.5° | 0.2° |
| C4L | C5L | C6L | C01 | 179.4° | 180.0° |
| C4L | C5L | C6L | C7L | 0.3° | 0.0° |
| C4L | C3L | C2L | C8L | 179.9° | 179.8° |
| C3L | C4L | C5L | C6L | 0.1° | 0.0° |
| C4L | C3L | C8L | C7L | 0.5° | 0.5° |
| C3L | C4L | C5L | H61 | 179.9° | 180.0° |
| C4L | C3L | C8L | H66 | 179.5° | 179.8° |
| C5 | C4 | C3 | C30 | 64.7° | 62.2° |
| C5 | C4 | C3 | C2 | 168.0° | 179.5° |
| C5 | C4 | C3 | H2 | 55.1° | 60.2° |
| C4 | C5 | C35 | H28 | 21.1° | 8.0° |
| C4 | C5 | C35 | H29 | 98.9° | 128.0° |
| C4 | C5 | C35 | H30 | 141.1° | 112.0° |
| C35 | C5 | C4 | C3 | 39.2° | 4.8° |
| C5 | C35 | H28 | H29 | 120.0° | 120.0° |
| C5 | C35 | H28 | H30 | 120.0° | 120.0° |
| C5 | C35 | H29 | H30 | 120.0° | 120.0° |
| C2L | C3L | C8L | C7L | 179.6° | 179.8° |
| C2L | C3L | C4L | H50 | 0.5° | 0.0° |
| C2L | C3L | C8L | H66 | 0.4° | 0.0° |
| O62 | C61 | C60 | C18 | 1.0° | 10.5° |
| O62 | C61 | C60 | N63 | 174.1° | 179.9° |
| O62 | C61 | C60 | H62 | 121.8° | 130.5° |
| O62 | C61 | C60 | H63 | 119.7° | 109.5° |
| O62 | C61 | N63 | H91 | 0.0° | 180.0° |
| O62 | C61 | N63 | H92 | 180.0° | 0.0° |
| C19 | C18 | C60 | H14 | 120.2° | 124.1° |
| C18 | C19 | C1 | H15 | 124.3° | 126.4° |
| C18 | C19 | C1 | C2 | 96.0° | 79.7° |
| C19 | C18 | C60 | C61 | 124.2° | 179.2° |
| C19 | C18 | C60 | H62 | 115.1° | 60.8° |
| C19 | C18 | C60 | H63 | 3.5° | 59.3° |
| C60 | C18 | C19 | C1 | 82.2° | 105.5° |
| C18 | C60 | C61 | H62 | 120.8° | 120.0° |
| C18 | C60 | C61 | H63 | 120.7° | 120.0° |
| C18 | C60 | C61 | N63 | 175.1° | 169.4° |
| C60 | C18 | C19 | H15 | 42.0° | 21.3° |
| C18 | C60 | H62 | H63 | 117.8° | 120.1° |
| C19 | C1 | C2 | C3 | 141.3° | 140.5° |
| C19 | C1 | C2 | C25 | 95.3° | 102.0° |
| C19 | C1 | C2 | C26 | 29.0° | 21.6° |
| C1 | C19 | C18 | H14 | 37.9° | 19.0° |
| C19 | C1 | C20 | H16 | 67.3° | 57.3° |
| C19 | C1 | C20 | H17 | 172.7° | 177.3° |
| C19 | C1 | C20 | H18 | 52.7° | 62.7° |
| C1 | C2 | C3 | C4 | 32.8° | 19.2° |
| C1 | C2 | C3 | C30 | 90.1° | 98.6° |
| C1 | C2 | C3 | C25 | 121.2° | 117.3° |
| C1 | C2 | C3 | C26 | 113.1° | 118.8° |
| C1 | C2 | C25 | C26 | 121.2° | 123.9° |
| C1 | C2 | C26 | C27 | 153.5° | 177.8° |
| C1 | C2 | C3 | H2 | 146.2° | 138.5° |
| C2 | C1 | C19 | H15 | 28.4° | 46.7° |
| C2 | C1 | C20 | H16 | 67.3° | 68.7° |
| C2 | C1 | C20 | H17 | 52.7° | 51.3° |
| C2 | C1 | C20 | H18 | 172.7° | 171.3° |
| C1 | C2 | C25 | H19 | 180.0° | 44.3° |
| C1 | C2 | C25 | H20 | 60.0° | 75.7° |
| C1 | C2 | C25 | H21 | 60.0° | 164.3° |
| C1 | C2 | C26 | H22 | 85.7° | 57.8° |
| C1 | C2 | C26 | H23 | 32.7° | 62.2° |
| C4 | C3 | C30 | C2 | 116.4° | 114.3° |
| C4 | C3 | C30 | H2 | 119.9° | 122.6° |
| C4 | C3 | C30 | C31 | 160.2° | 66.9° |
| C4 | C3 | C2 | H2 | 113.3° | 119.3° |
| C4 | C3 | C2 | C25 | 154.0° | 136.6° |
| C4 | C3 | C2 | C26 | 80.3° | 99.5° |
| C4 | C3 | C30 | H24 | 39.2° | 53.1° |
| C4 | C3 | C30 | H25 | 79.0° | 173.1° |
| C5L | C6L | C01 | C7L | 179.2° | 180.0° |
| C5L | C6L | C01 | C05 | 17.4° | 179.7° |
| C5L | C6L | C7L | C8L | 0.3° | 0.2° |
| C5L | C6L | C01 | N01 | 161.4° | 0.1° |
| C6L | C5L | C4L | H50 | 179.9° | 180.0° |
| C5L | C6L | C7L | H64 | 179.7° | 180.0° |
| O33 | C32 | C31 | C30 | 69.6° | 0.1° |
| O33 | C32 | N34 | C31 | 178.9° | 179.9° |
| O33 | C32 | C31 | H26 | 169.9° | 120.0° |
| O33 | C32 | C31 | H27 | 50.9° | 120.0° |
| O33 | C32 | N34 | H82 | 0.0° | 180.0° |
| O33 | C32 | N34 | H83 | 180.0° | 0.0° |
| C3 | C30 | C31 | H24 | 120.9° | 120.0° |
| C3 | C30 | C31 | H25 | 120.8° | 120.1° |
| C3 | C30 | C31 | C32 | 169.7° | 172.3° |
| C30 | C3 | C2 | H2 | 123.7° | 122.8° |
| C30 | C3 | C2 | C25 | 31.1° | 18.7° |
| C30 | C3 | C2 | C26 | 156.7° | 142.6° |
| C3 | C30 | H24 | H25 | 117.2° | 120.0° |
| C3 | C30 | C31 | H26 | 69.8° | 52.4° |
| C3 | C30 | C31 | H27 | 49.2° | 67.6° |
| C30 | C31 | C32 | N34 | 111.4° | 180.0° |
| C30 | C31 | C32 | H26 | 120.5° | 120.0° |
| C30 | C31 | C32 | H27 | 120.5° | 120.0° |
| C31 | C30 | C3 | C2 | 83.4° | 178.8° |
| C31 | C30 | C3 | H2 | 40.2° | 55.7° |
| C31 | C30 | H24 | H25 | 117.3° | 120.0° |
| C30 | C31 | H26 | H27 | 118.4° | 120.0° |
| N34 | C32 | C31 | H26 | 9.1° | 60.0° |
| N34 | C32 | C31 | H27 | 128.1° | 60.0° |
| C32 | N34 | H82 | H83 | 179.9° | 180.0° |
| C3L | C8L | C7L | C6L | 0.1° | 0.5° |
| C3L | C8L | C7L | H66 | 180.0° | 179.8° |
| C8L | C3L | C4L | H50 | 179.5° | 179.8° |
| C3L | C8L | C7L | H64 | 179.8° | 179.7° |
| C32 | C31 | C30 | H24 | 48.8° | 67.7° |
| C32 | C31 | C30 | H25 | 69.4° | 52.3° |
| C32 | C31 | H26 | H27 | 118.5° | 120.0° |
| C31 | C32 | N34 | H82 | 178.9° | 0.0° |
| C31 | C32 | N34 | H83 | 1.0° | 180.0° |
| C61 | C60 | C18 | H14 | 4.0° | 55.1° |
| C61 | C60 | H62 | H63 | 117.7° | 120.0° |
| C60 | C61 | N63 | H91 | 174.1° | 0.1° |
| C60 | C61 | N63 | H92 | 5.9° | 180.0° |
| N63 | C61 | C60 | H62 | 64.1° | 49.4° |
| N63 | C61 | C60 | H63 | 54.4° | 70.6° |
| C61 | N63 | H91 | H92 | 180.0° | 180.0° |
| C3 | C2 | C25 | C26 | 122.2° | 124.2° |
| C3 | C2 | C26 | C27 | 43.5° | 69.3° |
| C3 | C2 | C25 | H19 | 63.4° | 67.6° |
| C3 | C2 | C25 | H20 | 56.6° | 172.4° |
| C3 | C2 | C25 | H21 | 176.6° | 52.5° |
| C3 | C2 | C26 | H22 | 164.3° | 170.7° |
| C3 | C2 | C26 | H23 | 77.3° | 50.7° |
| C2 | C3 | C30 | H24 | 155.7° | 61.3° |
| C2 | C3 | C30 | H25 | 37.4° | 58.7° |
| C25 | C2 | C26 | C27 | 83.2° | 54.4° |
| C25 | C2 | C3 | H2 | 92.7° | 104.1° |
| C2 | C25 | H19 | H20 | 120.0° | 120.0° |
| C2 | C25 | H19 | H21 | 120.0° | 120.0° |
| C2 | C25 | H20 | H21 | 120.0° | 120.0° |
| C25 | C2 | C26 | H22 | 37.6° | 65.6° |
| C25 | C2 | C26 | H23 | 156.0° | 174.4° |
| C2 | C26 | C27 | H22 | 120.8° | 120.0° |
| C2 | C26 | C27 | H23 | 120.8° | 120.0° |
| C2 | C26 | C27 | O28 | 137.1° | 0.0° |
| C2 | C26 | C27 | N29 | 53.3° | 180.0° |
| C26 | C2 | C3 | H2 | 33.0° | 19.8° |
| C26 | C2 | C25 | H19 | 58.8° | 168.2° |
| C26 | C2 | C25 | H20 | 178.8° | 48.2° |
| C26 | C2 | C25 | H21 | 61.2° | 71.8° |
| C2 | C26 | H22 | H23 | 117.5° | 120.0° |
| C6L | C01 | C05 | N01 | 178.8° | 179.7° |
| C6L | C01 | C05 | N03 | 179.3° | 179.7° |
| C01 | C6L | C7L | C8L | 179.4° | 179.8° |
| C6L | C01 | N01 | N02 | 179.3° | 179.7° |
| C6L | C01 | C05 | H8 | 0.7° | 0.3° |
| C01 | C6L | C5L | H61 | 0.6° | 0.0° |
| C01 | C6L | C7L | H64 | 0.6° | 0.0° |
| C7L | C6L | C01 | C05 | 163.5° | 0.3° |
| C6L | C7L | C8L | H64 | 180.0° | 179.8° |
| C7L | C6L | C01 | N01 | 17.8° | 180.0° |
| C7L | C6L | C5L | H61 | 179.7° | 180.0° |
| C6L | C7L | C8L | H66 | 179.9° | 179.7° |
| C01 | C05 | N03 | H8 | 180.0° | 180.0° |
| C01 | C05 | N03 | C02 | 179.6° | 180.0° |
| C01 | C05 | N03 | N02 | 0.4° | 0.0° |
| C05 | C01 | N01 | N02 | 0.4° | 0.0° |
| N03 | C05 | C01 | N01 | 0.5° | 0.0° |
| C05 | N03 | C02 | N02 | 180.0° | 180.0° |
| C05 | N03 | C02 | C03 | 173.3° | 125.0° |
| C05 | N03 | N02 | N01 | 0.2° | 0.0° |
| C05 | N03 | C02 | H4 | 53.3° | 5.0° |
| C05 | N03 | C02 | H5 | 66.8° | 115.0° |
| C01 | N01 | N02 | N03 | 0.1° | 0.0° |
| N01 | C01 | C05 | H8 | 179.5° | 180.0° |
| N03 | C02 | C03 | H4 | 119.9° | 120.0° |
| N03 | C02 | C03 | H5 | 119.9° | 120.0° |
| C02 | N03 | N02 | N01 | 179.8° | 180.0° |
| N03 | C02 | C03 | N05 | 66.9° | 180.0° |
| N03 | C02 | H4 | H5 | 120.2° | 120.0° |
| N03 | C02 | C03 | H6 | 172.8° | 60.0° |
| N03 | C02 | C03 | H7 | 53.4° | 60.0° |
| C02 | N03 | C05 | H8 | 0.4° | 0.0° |
| C03 | C02 | N03 | N02 | 6.8° | 55.0° |
| C02 | C03 | N05 | H6 | 120.2° | 120.0° |
| C02 | C03 | N05 | H7 | 120.3° | 120.0° |
| C02 | C03 | N05 | C07 | 158.9° | 180.0° |
| C03 | C02 | H4 | H5 | 120.2° | 120.0° |
| C02 | C03 | H6 | H7 | 119.2° | 120.0° |
| C02 | C03 | N05 | H77 | 21.1° | 0.1° |
| N02 | N03 | C02 | H4 | 126.7° | 175.0° |
| N02 | N03 | C02 | H5 | 113.2° | 65.0° |
| N02 | N03 | C05 | H8 | 179.6° | 180.0° |
| C26 | C27 | O28 | N29 | 168.9° | 179.9° |
| C27 | C26 | H22 | H23 | 117.6° | 120.0° |
| C26 | C27 | N29 | H80 | 169.5° | 0.1° |
| C26 | C27 | N29 | H81 | 10.4° | 180.0° |
| C03 | N05 | C07 | H77 | 180.0° | 179.9° |
| C03 | N05 | C07 | N04 | 80.9° | 0.0° |
| C03 | N05 | C07 | N06 | 83.6° | 180.0° |
| N05 | C03 | C02 | H4 | 53.0° | 60.0° |
| N05 | C03 | C02 | H5 | 173.1° | 60.0° |
| N05 | C03 | H6 | H7 | 119.2° | 120.0° |
| O28 | C27 | C26 | H22 | 102.1° | 120.0° |
| O28 | C27 | C26 | H23 | 16.3° | 120.1° |
| O28 | C27 | N29 | H80 | 0.0° | 180.0° |
| O28 | C27 | N29 | H81 | 180.0° | 0.1° |
| N29 | C27 | C26 | H22 | 67.5° | 59.9° |
| N29 | C27 | C26 | H23 | 174.1° | 60.0° |
| C27 | N29 | H80 | H81 | 180.0° | 179.9° |
| N05 | C07 | N04 | N06 | 161.7° | 180.0° |
| C07 | N05 | C03 | H6 | 80.9° | 60.0° |
| C07 | N05 | C03 | H7 | 38.6° | 59.9° |
| N05 | C07 | N04 | H76 | 161.8° | 180.0° |
| N05 | C07 | N06 | H78 | 164.5° | 179.9° |
| N05 | C07 | N06 | H79 | 15.5° | 0.1° |
| N04 | C07 | N05 | H77 | 99.1° | 180.0° |
| N04 | C07 | N06 | H78 | 0.0° | 0.1° |
| N04 | C07 | N06 | H79 | 180.0° | 179.9° |
| N06 | C07 | N04 | H76 | 0.0° | 0.0° |
| N06 | C07 | N05 | H77 | 96.4° | 0.0° |
| C07 | N06 | H78 | H79 | 180.0° | 179.9° |
| H2 | C3 | C30 | H24 | 80.7° | 175.7° |
| H2 | C3 | C30 | H25 | 161.1° | 64.3° |
| H4 | C02 | C03 | H6 | 67.3° | 60.0° |
| H4 | C02 | C03 | H7 | 173.3° | 180.0° |
| H5 | C02 | C03 | H6 | 52.9° | 180.0° |
| H5 | C02 | C03 | H7 | 66.6° | 60.0° |
| H6 | C03 | N05 | H77 | 99.2° | 120.1° |
| H7 | C03 | N05 | H77 | 141.3° | 120.0° |
| H10 | C13 | C48 | H46 | 169.8° | 86.3° |
| H10 | C13 | C48 | H47 | 72.2° | 153.7° |
| H14 | C18 | C19 | H15 | 162.1° | 145.8° |
| H14 | C18 | C60 | H62 | 124.7° | 175.1° |
| H14 | C18 | C60 | H63 | 116.7° | 64.8° |
| H16 | C20 | H17 | H18 | 120.0° | 119.9° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
| H24 | C30 | C31 | H26 | 169.3° | 172.3° |
| H24 | C30 | C31 | H27 | 71.7° | 52.3° |
| H25 | C30 | C31 | H26 | 51.1° | 67.7° |
| H25 | C30 | C31 | H27 | 170.1° | 172.3° |
| H28 | C35 | H29 | H30 | 120.0° | 120.0° |
| H31 | C36 | H32 | H33 | 120.0° | 119.9° |
| H36 | C41 | C42 | H38 | 175.0° | 61.5° |
| H36 | C41 | C42 | H39 | 65.6° | 178.4° |
| H36 | C41 | C8 | H65 | 42.2° | 62.2° |
| H37 | C41 | C42 | H38 | 58.2° | 178.5° |
| H37 | C41 | C42 | H39 | 177.6° | 58.4° |
| H37 | C41 | C8 | H65 | 159.0° | 177.8° |
| H40 | C46 | H41 | H42 | 120.0° | 120.0° |
| H43 | C47 | H44 | H45 | 120.0° | 120.0° |
| H46 | C48 | C49 | H48 | 43.2° | 178.0° |
| H46 | C48 | C49 | H49 | 76.7° | 57.9° |
| H47 | C48 | C49 | H48 | 161.2° | 62.0° |
| H47 | C48 | C49 | H49 | 41.3° | 177.9° |
| H50 | C4L | C5L | H61 | 0.1° | 0.0° |
| H51 | C53 | H52 | H53 | 120.0° | 120.0° |
| H54 | C54 | H55 | H56 | 120.0° | 120.0° |
| H57 | C55 | C56 | H59 | 160.6° | 175.4° |
| H57 | C55 | C56 | H60 | 41.5° | 55.4° |
| H58 | C55 | C56 | H59 | 80.1° | 64.6° |
| H58 | C55 | C56 | H60 | 160.8° | 175.5° |
| H64 | C7L | C8L | H66 | 0.2° | 0.1° |
| H70 | CR1 | CR2 | H71 | 24.8° | 2.8° |
| H71 | CR2 | CR3 | H72 | 27.7° | 21.3° |
| H71 | CR2 | OR7 | H94 | 56.3° | 61.0° |
| H72 | CR3 | CR4 | H73 | 141.8° | 160.4° |
| H73 | CR4 | CR5 | H74 | 165.8° | 66.4° |
| H73 | CR4 | CR5 | H75 | 75.1° | 173.7° |
| H74 | CR5 | OR8 | H96 | 59.6° | 68.3° |
| H75 | CR5 | OR8 | H96 | 59.6° | 51.7° |
| H90 | N59 | CPR1 | H11 | 14.2° | 129.8° |
| H90 | N59 | CPR1 | H12 | 132.4° | 110.2° |
| H11 | CPR1 | CPR2 | H1 | 179.8° | 56.0° |
| H12 | CPR1 | CPR2 | H1 | 61.6° | 176.0° |
| H1 | CPR2 | CPR3 | H93 | 58.5° | 180.0° |
| H1 | CPR2 | CPR3 | H13 | 178.5° | 60.0° |
| H1 | CPR2 | CPR3 | H67 | 61.5° | 60.0° |
| H93 | CPR3 | H13 | H67 | 120.0° | 119.9° |
| H101 | CB10 | H100 | H102 | 120.0° | 120.0° |
| H99 | CB11 | H98 | H97 | 120.0° | 120.0° |
