A1BE0
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 | |
| C49 | C50 | sing | 1.51Å | 1.51Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| 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 | 1.42Å | |
| OR6 | CR1 | sing | 1.44Å | 1.40Å | |
| CR1 | CR2 | sing | 1.54Å | 1.54Å | |
| CR1 | NB1 | sing | 1.46Å | 1.45Å | |
| N52 | C50 | sing | 1.35Å | 1.31Å | |
| C50 | O51 | doub | 1.21Å | 1.24Å | |
| P1 | OP2 | sing | 1.61Å | 1.61Å | |
| P1 | OP5 | sing | 1.61Å | 1.48Å | |
| P1 | OP3 | sing | 1.61Å | 1.58Å | |
| CPR3 | CPR2 | sing | 1.53Å | 1.51Å | |
| CB11 | CB6 | sing | 1.51Å | 1.51Å | |
| C43 | O44 | doub | 1.21Å | 1.25Å | |
| C43 | C42 | sing | 1.51Å | 1.51Å | |
| CR2 | OR7 | sing | 1.43Å | 1.42Å | |
| CB7 | CB6 | doub | 1.38Å | 1.40Å | Aromatic |
| CB7 | CB8 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | C12 | sing | 1.52Å | 1.54Å | |
| CPR2 | OP3 | 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 | 1.38Å | Aromatic |
| NB1 | CB2 | sing | 1.36Å | 1.36Å | Aromatic |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| CB8 | CB9 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.52Å | 1.57Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C46 | sing | 1.52Å | 1.55Å | |
| C13 | C14 | sing | 1.52Å | 1.53Å | |
| O58 | C57 | doub | 1.21Å | 1.24Å | |
| CPR1 | N59 | sing | 1.47Å | 1.45Å | |
| CB2 | NB3 | doub | 1.30Å | 1.32Å | Aromatic |
| CB5 | CB10 | sing | 1.51Å | 1.51Å | |
| CB5 | CB4 | doub | 1.37Å | 1.39Å | Aromatic |
| CB9 | CB4 | sing | 1.40Å | 1.39Å | Aromatic |
| CB9 | NB3 | sing | 1.36Å | 1.39Å | Aromatic |
| C41 | C8 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.39Å | 1.38Å | |
| C11 | N23 | doub | 1.33Å | 1.34Å | |
| C10 | C9 | doub | 1.37Å | 1.39Å | |
| C57 | N59 | sing | 1.35Å | 1.32Å | |
| C57 | C56 | sing | 1.51Å | 1.52Å | |
| C14 | N23 | sing | 1.34Å | 1.40Å | |
| C14 | C15 | doub | 1.37Å | 1.38Å | |
| C8 | C9 | sing | 1.52Å | 1.51Å | |
| C8 | C7 | sing | 1.52Å | 1.55Å | |
| N23 | CO1 | sing | 1.83Å | 1.93Å | |
| C9 | N22 | sing | 1.34Å | 1.35Å | |
| 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 | 1.94Å | |
| N22 | C6 | doub | 1.33Å | 1.41Å | |
| CO1 | N24 | sing | 1.81Å | 1.91Å | |
| CO1 | C1L | sing | 1.89Å | 1.89Å | |
| 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 | 1.32Å | |
| C16 | C17 | sing | 1.50Å | 1.55Å | |
| C55 | C17 | sing | 1.53Å | 1.55Å | |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C38 | N40 | sing | 1.35Å | 1.33Å | |
| C20 | C1 | sing | 1.52Å | 1.53Å | |
| C6 | C5 | sing | 1.41Å | 1.39Å | |
| N24 | C19 | sing | 1.46Å | 1.49Å | |
| C17 | C18 | sing | 1.54Å | 1.55Å | |
| C17 | C54 | sing | 1.53Å | 1.55Å | |
| C1L | C2L | trip | 1.17Å | 1.22Å | |
| N21 | C1 | sing | 1.46Å | 1.50Å | |
| N21 | C4 | sing | 1.37Å | 1.30Å | |
| C8L | C7L | doub | 1.38Å | 1.39Å | Aromatic |
| C8L | C3L | sing | 1.40Å | 1.41Å | Aromatic |
| C2L | C3L | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C60 | sing | 1.52Å | 1.55Å | |
| C1 | C19 | sing | 1.52Å | 1.55Å | |
| C1 | C2 | sing | 1.54Å | 1.57Å | |
| C5 | C4 | doub | 1.35Å | 1.47Å | |
| C5 | C35 | sing | 1.50Å | 1.52Å | |
| O62 | C61 | doub | 1.21Å | 1.25Å | |
| C4 | C3 | sing | 1.49Å | 1.52Å | |
| O33 | C32 | doub | 1.21Å | 1.22Å | |
| C30 | C3 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C7L | C6L | sing | 1.40Å | 1.38Å | Aromatic |
| C3L | C4L | doub | 1.40Å | 1.41Å | Aromatic |
| N34 | C32 | sing | 1.35Å | 1.34Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C61 | C60 | sing | 1.51Å | 1.52Å | |
| C61 | N63 | sing | 1.35Å | 1.34Å | |
| 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 | 1.35Å | |
| C6L | C5L | doub | 1.39Å | 1.39Å | Aromatic |
| C4L | C5L | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C01 | doub | 1.37Å | 1.50Å | Aromatic |
| C05 | N03 | sing | 1.35Å | 1.48Å | Aromatic |
| C01 | N01 | sing | 1.34Å | 1.47Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| N03 | C02 | sing | 1.47Å | 1.47Å | |
| N03 | N02 | sing | 1.29Å | 1.45Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| N01 | N02 | doub | 1.29Å | 1.44Å | Aromatic |
| C27 | O28 | doub | 1.21Å | 1.25Å | |
| C27 | N29 | sing | 1.35Å | 1.31Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | N04 | sing | 1.47Å | 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 | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.08Å | |
| C13 | H12 | 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 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H55 | sing | 1.09Å | 1.10Å | |
| C54 | H56 | sing | 1.09Å | 1.10Å | |
| C54 | H57 | sing | 1.09Å | 1.10Å | |
| C55 | H58 | sing | 1.09Å | 1.10Å | |
| C55 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H60 | sing | 1.09Å | 1.10Å | |
| C56 | H61 | sing | 1.09Å | 1.10Å | |
| C5L | H62 | sing | 1.08Å | 1.08Å | |
| C60 | H64 | sing | 1.09Å | 1.10Å | |
| C60 | H65 | sing | 1.09Å | 1.10Å | |
| C7L | H66 | sing | 1.08Å | 1.08Å | |
| C8 | H67 | sing | 1.09Å | 1.10Å | |
| C8L | H68 | sing | 1.08Å | 1.08Å | |
| CB4 | H70 | sing | 1.08Å | 1.08Å | |
| CB7 | H71 | sing | 1.08Å | 1.08Å | |
| CR1 | H72 | sing | 1.09Å | 1.10Å | |
| CR2 | H73 | sing | 1.09Å | 1.10Å | |
| CR3 | H74 | sing | 1.09Å | 1.10Å | |
| CR4 | H75 | sing | 1.09Å | 1.10Å | |
| CR5 | H76 | sing | 1.09Å | 1.10Å | |
| CR5 | H77 | sing | 1.09Å | 1.10Å | |
| N04 | H78 | sing | 1.01Å | 1.00Å | |
| N04 | H79 | sing | 1.01Å | 1.00Å | |
| N29 | H81 | sing | 0.97Å | 1.00Å | |
| N29 | H82 | sing | 0.97Å | 1.00Å | |
| N34 | H83 | sing | 0.97Å | 1.00Å | |
| N34 | H84 | sing | 0.97Å | 1.00Å | |
| N40 | H85 | sing | 0.97Å | 1.00Å | |
| N40 | H86 | sing | 0.97Å | 1.00Å | |
| N45 | H87 | sing | 0.97Å | 1.00Å | |
| N45 | H88 | sing | 0.97Å | 1.00Å | |
| N52 | H89 | sing | 0.97Å | 1.00Å | |
| N52 | H90 | sing | 0.97Å | 1.00Å | |
| N59 | H91 | sing | 0.97Å | 1.00Å | |
| N63 | H92 | sing | 0.97Å | 1.00Å | |
| N63 | H93 | sing | 0.97Å | 1.00Å | |
| OP5 | H94 | sing | 0.97Å | 0.95Å | |
| CPR1 | H13 | sing | 1.09Å | 1.10Å | |
| CPR1 | H51 | sing | 1.09Å | 1.10Å | |
| CPR2 | H1 | sing | 1.09Å | 1.10Å | |
| CPR3 | H80 | sing | 1.09Å | 1.10Å | |
| CPR3 | H63 | sing | 1.09Å | 1.10Å | |
| CPR3 | H69 | sing | 1.09Å | 1.10Å | |
| OR7 | H96 | sing | 0.97Å | 0.95Å | |
| OR8 | H95 | sing | 0.97Å | 0.95Å | |
| CB10 | H99 | sing | 1.09Å | 1.10Å | |
| CB10 | H97 | sing | 1.09Å | 1.10Å | |
| CB10 | H98 | sing | 1.09Å | 1.10Å | |
| CB11 | H102 | sing | 1.09Å | 1.10Å | |
| CB11 | H100 | sing | 1.09Å | 1.10Å | |
| CB11 | H101 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OR8 | CR5 | CR4 | 112.2° | 109.5° |
| OR8 | CR5 | H76 | 108.8° | 109.5° |
| OR8 | CR5 | H77 | 108.8° | 109.4° |
| CR5 | OR8 | H95 | 109.5° | 114.0° |
| CR5 | CR4 | CR3 | 116.1° | 110.6° |
| CR5 | CR4 | OR6 | 107.3° | 110.6° |
| CR5 | CR4 | H75 | 108.9° | 110.7° |
| CR4 | CR5 | H76 | 108.8° | 109.5° |
| CR4 | CR5 | H77 | 108.8° | 109.5° |
| OP4 | P1 | OP2 | 106.0° | 109.4° |
| OP4 | P1 | OP5 | 120.1° | 109.4° |
| OP4 | P1 | OP3 | 111.9° | 109.5° |
| N45 | C43 | O44 | 118.9° | 120.0° |
| N45 | C43 | C42 | 117.4° | 120.0° |
| C43 | N45 | H87 | 120.0° | 120.0° |
| C43 | N45 | H88 | 120.0° | 120.0° |
| C50 | C49 | C48 | 109.5° | 109.4° |
| C49 | C50 | N52 | 116.1° | 120.0° |
| C49 | C50 | O51 | 119.1° | 120.0° |
| C50 | C49 | H48 | 109.5° | 109.5° |
| C50 | C49 | H49 | 109.4° | 109.5° |
| C49 | C48 | C13 | 115.3° | 109.5° |
| C49 | C48 | H46 | 108.0° | 109.5° |
| C49 | C48 | H47 | 108.0° | 109.5° |
| C48 | C49 | H48 | 109.4° | 109.5° |
| C48 | C49 | H49 | 109.5° | 109.5° |
| CR3 | CR4 | OR6 | 106.4° | 103.5° |
| CR4 | CR3 | CR2 | 104.6° | 102.1° |
| CR4 | CR3 | OP2 | 107.6° | 110.9° |
| CR4 | CR3 | H74 | 110.4° | 111.0° |
| CR3 | CR4 | H75 | 108.5° | 110.6° |
| CR4 | OR6 | CR1 | 111.3° | 107.0° |
| OR6 | CR4 | H75 | 109.5° | 110.6° |
| CR2 | CR3 | OP2 | 111.4° | 110.9° |
| CR3 | CR2 | CR1 | 103.5° | 104.2° |
| CR3 | CR2 | OR7 | 107.0° | 110.5° |
| CR3 | CR2 | H73 | 111.6° | 110.6° |
| CR2 | CR3 | H74 | 110.6° | 110.9° |
| CR3 | OP2 | P1 | 119.3° | 123.0° |
| OP2 | CR3 | H74 | 112.0° | 110.8° |
| OR6 | CR1 | CR2 | 105.6° | 107.3° |
| OR6 | CR1 | NB1 | 108.7° | 109.9° |
| OR6 | CR1 | H72 | 112.0° | 110.0° |
| CR2 | CR1 | NB1 | 108.8° | 109.9° |
| CR1 | CR2 | OR7 | 109.7° | 110.5° |
| CR2 | CR1 | H72 | 110.1° | 109.9° |
| CR1 | CR2 | H73 | 111.3° | 110.5° |
| CR1 | NB1 | CB8 | 126.5° | 126.3° |
| CR1 | NB1 | CB2 | 126.7° | 126.4° |
| NB1 | CR1 | H72 | 111.4° | 109.9° |
| N52 | C50 | O51 | 122.1° | 120.0° |
| C50 | N52 | H89 | 120.0° | 120.0° |
| C50 | N52 | H90 | 120.0° | 120.0° |
| OP2 | P1 | OP5 | 111.3° | 109.4° |
| OP2 | P1 | OP3 | 101.1° | 109.5° |
| OP5 | P1 | OP3 | 104.9° | 109.5° |
| P1 | OP5 | H94 | 109.5° | 114.0° |
| P1 | OP3 | CPR2 | 123.0° | 123.0° |
| CPR3 | CPR2 | OP3 | 106.6° | 109.4° |
| CPR3 | CPR2 | CPR1 | 110.1° | 109.5° |
| CPR3 | CPR2 | H1 | 110.7° | 109.5° |
| CPR2 | CPR3 | H80 | 109.5° | 109.5° |
| CPR2 | CPR3 | H63 | 109.5° | 109.5° |
| CPR2 | CPR3 | H69 | 109.4° | 109.5° |
| CB11 | CB6 | CB7 | 119.6° | 119.8° |
| CB11 | CB6 | CB5 | 119.8° | 119.8° |
| CB6 | CB11 | H102 | 109.5° | 109.4° |
| CB6 | CB11 | H100 | 109.5° | 109.5° |
| CB6 | CB11 | H101 | 109.5° | 109.5° |
| O44 | C43 | C42 | 120.6° | 120.0° |
| C43 | C42 | C41 | 109.7° | 109.5° |
| C43 | C42 | H38 | 109.4° | 109.5° |
| C43 | C42 | H39 | 109.4° | 109.5° |
| OR7 | CR2 | H73 | 113.2° | 110.4° |
| CR2 | OR7 | H96 | 109.5° | 114.0° |
| CB6 | CB7 | CB8 | 117.4° | 119.7° |
| CB7 | CB6 | CB5 | 120.6° | 120.5° |
| CB6 | CB7 | H71 | 121.3° | 120.1° |
| CB7 | CB8 | NB1 | 131.1° | 134.1° |
| CB7 | CB8 | CB9 | 122.4° | 119.8° |
| CB8 | CB7 | H71 | 121.3° | 120.2° |
| C47 | C12 | C13 | 119.7° | 111.3° |
| C47 | C12 | C11 | 114.2° | 110.2° |
| C47 | C12 | C46 | 106.3° | 110.8° |
| C12 | C47 | H43 | 109.5° | 109.5° |
| C12 | C47 | H44 | 109.4° | 109.5° |
| C12 | C47 | H45 | 109.4° | 109.5° |
| OP3 | CPR2 | CPR1 | 107.0° | 109.5° |
| OP3 | CPR2 | H1 | 111.6° | 109.5° |
| CPR2 | CPR1 | N59 | 116.0° | 109.4° |
| CPR2 | CPR1 | H13 | 107.8° | 109.5° |
| CPR2 | CPR1 | H51 | 107.9° | 109.5° |
| CPR1 | CPR2 | H1 | 110.6° | 109.5° |
| C48 | C13 | C12 | 116.9° | 110.8° |
| C48 | C13 | C14 | 107.7° | 110.5° |
| C48 | C13 | H12 | 110.1° | 110.6° |
| C13 | C48 | H46 | 108.0° | 109.4° |
| C13 | C48 | H47 | 108.0° | 109.4° |
| CB6 | CB5 | CB10 | 119.3° | 119.7° |
| CB6 | CB5 | CB4 | 120.7° | 120.7° |
| CB8 | NB1 | CB2 | 106.8° | 107.3° |
| NB1 | CB8 | CB9 | 106.5° | 106.1° |
| NB1 | CB2 | NB3 | 112.2° | 110.1° |
| NB1 | CB2 | H3 | 123.9° | 124.9° |
| C42 | C41 | C8 | 120.9° | 109.4° |
| C42 | C41 | H36 | 106.6° | 109.4° |
| C42 | C41 | H37 | 106.6° | 109.4° |
| C41 | C42 | H38 | 109.4° | 109.4° |
| C41 | C42 | H39 | 109.4° | 109.5° |
| CB8 | CB9 | CB4 | 120.1° | 119.5° |
| CB8 | CB9 | NB3 | 108.5° | 106.9° |
| C13 | C12 | C11 | 100.2° | 102.5° |
| C13 | C12 | C46 | 110.2° | 111.1° |
| C12 | C13 | C14 | 101.6° | 102.6° |
| C12 | C13 | H12 | 109.8° | 111.5° |
| C11 | C12 | C46 | 105.4° | 110.7° |
| C12 | C11 | C10 | 121.8° | 120.5° |
| C12 | C11 | N23 | 111.7° | 112.6° |
| C12 | C46 | H40 | 109.5° | 109.5° |
| C12 | C46 | H41 | 109.5° | 109.5° |
| C12 | C46 | H42 | 109.5° | 109.5° |
| C13 | C14 | N23 | 108.7° | 111.9° |
| C13 | C14 | C15 | 124.8° | 117.1° |
| C14 | C13 | H12 | 110.3° | 110.6° |
| O58 | C57 | N59 | 122.7° | 120.0° |
| O58 | C57 | C56 | 120.0° | 120.0° |
| CPR1 | N59 | C57 | 123.2° | 120.0° |
| CPR1 | N59 | H91 | 118.4° | 120.0° |
| N59 | CPR1 | H13 | 107.8° | 109.5° |
| N59 | CPR1 | H51 | 107.8° | 109.5° |
| CB2 | NB3 | CB9 | 106.0° | 109.6° |
| NB3 | CB2 | H3 | 123.9° | 124.9° |
| CB10 | CB5 | CB4 | 120.0° | 119.7° |
| CB5 | CB10 | H99 | 109.5° | 109.5° |
| CB5 | CB10 | H97 | 109.4° | 109.5° |
| CB5 | CB10 | H98 | 109.5° | 109.4° |
| CB5 | CB4 | CB9 | 118.8° | 119.9° |
| CB5 | CB4 | H70 | 120.6° | 120.1° |
| CB4 | CB9 | NB3 | 131.5° | 133.6° |
| CB9 | CB4 | H70 | 120.6° | 120.0° |
| C41 | C8 | C9 | 107.7° | 110.6° |
| C41 | C8 | C7 | 115.6° | 111.2° |
| C8 | C41 | H36 | 106.5° | 109.5° |
| C8 | C41 | H37 | 106.5° | 109.5° |
| C41 | C8 | H67 | 110.5° | 111.2° |
| C10 | C11 | N23 | 124.6° | 126.9° |
| C11 | C10 | C9 | 126.8° | 120.8° |
| C11 | C10 | H11 | 116.6° | 119.4° |
| C11 | N23 | C14 | 109.9° | 110.0° |
| C11 | N23 | CO1 | 122.9° | 122.9° |
| C10 | C9 | C8 | 122.5° | 120.1° |
| C10 | C9 | N22 | 126.5° | 127.3° |
| C9 | C10 | H11 | 116.6° | 119.7° |
| N59 | C57 | C56 | 117.3° | 120.0° |
| C57 | N59 | H91 | 118.4° | 120.0° |
| C57 | C56 | C55 | 112.3° | 109.4° |
| C57 | C56 | H60 | 108.8° | 109.5° |
| C57 | C56 | H61 | 108.7° | 109.5° |
| N23 | C14 | C15 | 126.5° | 130.9° |
| C14 | N23 | CO1 | 126.8° | 127.1° |
| C14 | C15 | C53 | 117.2° | 121.4° |
| C14 | C15 | C16 | 121.1° | 116.6° |
| C9 | C8 | C7 | 101.1° | 102.3° |
| C8 | C9 | N22 | 110.2° | 112.6° |
| C9 | C8 | H67 | 111.0° | 110.3° |
| C8 | C7 | C36 | 109.9° | 111.0° |
| C8 | C7 | C6 | 99.5° | 103.1° |
| C8 | C7 | C37 | 110.9° | 111.0° |
| C7 | C8 | H67 | 110.4° | 110.9° |
| N23 | CO1 | N22 | 97.6° | 97.9° |
| N23 | CO1 | N24 | 89.8° | 86.5° |
| N23 | CO1 | C1L | 88.2° | 97.0° |
| N23 | CO1 | N21 | 172.3° | 162.2° |
| C9 | N22 | CO1 | 120.9° | 122.5° |
| C9 | N22 | C6 | 109.2° | 109.9° |
| C53 | C15 | C16 | 121.0° | 122.0° |
| C15 | C53 | H52 | 109.5° | 109.5° |
| C15 | C53 | H53 | 109.5° | 109.5° |
| C15 | C53 | H54 | 109.4° | 109.5° |
| C56 | C55 | C17 | 110.7° | 109.4° |
| C56 | C55 | H58 | 109.2° | 109.5° |
| C56 | C55 | H59 | 109.2° | 109.5° |
| C55 | C56 | H60 | 108.7° | 109.5° |
| C55 | C56 | H61 | 108.8° | 109.5° |
| C15 | C16 | N24 | 121.8° | 118.1° |
| C15 | C16 | C17 | 128.3° | 129.1° |
| O39 | C38 | C37 | 121.3° | 120.0° |
| O39 | C38 | N40 | 121.5° | 120.0° |
| CO1 | N22 | C6 | 125.8° | 127.3° |
| N22 | CO1 | N24 | 170.4° | 163.5° |
| N22 | CO1 | C1L | 78.7° | 97.6° |
| N22 | CO1 | N21 | 88.2° | 84.5° |
| N22 | C6 | C7 | 108.8° | 112.0° |
| N22 | C6 | C5 | 122.2° | 131.8° |
| N24 | CO1 | C1L | 95.6° | 97.7° |
| N24 | CO1 | N21 | 85.0° | 86.6° |
| CO1 | N24 | C16 | 132.5° | 140.6° |
| CO1 | N24 | C19 | 113.3° | 110.5° |
| C1L | CO1 | N21 | 98.0° | 100.1° |
| CO1 | C1L | C2L | 167.6° | 180.0° |
| CO1 | N21 | C1 | 113.8° | 112.4° |
| CO1 | N21 | C4 | 131.1° | 140.7° |
| C36 | C7 | C6 | 120.6° | 110.7° |
| C36 | C7 | C37 | 107.2° | 110.8° |
| C7 | C36 | H31 | 109.5° | 109.5° |
| C7 | C36 | H32 | 109.4° | 109.5° |
| C7 | C36 | H33 | 109.5° | 109.4° |
| C6 | C7 | C37 | 108.5° | 110.0° |
| C7 | C6 | C5 | 129.1° | 116.1° |
| C7 | C37 | C38 | 113.6° | 109.5° |
| C7 | C37 | H34 | 108.4° | 109.4° |
| C7 | C37 | H35 | 108.4° | 109.5° |
| N24 | C16 | C17 | 109.5° | 112.8° |
| C16 | N24 | C19 | 112.3° | 108.8° |
| C16 | C17 | C55 | 119.6° | 110.7° |
| C16 | C17 | C18 | 99.8° | 103.5° |
| C16 | C17 | C54 | 105.9° | 110.7° |
| C55 | C17 | C18 | 108.5° | 110.5° |
| C55 | C17 | C54 | 110.7° | 110.5° |
| C17 | C55 | H58 | 109.2° | 109.5° |
| C17 | C55 | H59 | 109.2° | 109.5° |
| C37 | C38 | N40 | 116.4° | 120.0° |
| C38 | C37 | H34 | 108.4° | 109.4° |
| C38 | C37 | H35 | 108.4° | 109.5° |
| C38 | N40 | H85 | 120.0° | 120.0° |
| C38 | N40 | H86 | 120.0° | 120.0° |
| C20 | C1 | N21 | 112.9° | 111.7° |
| C20 | C1 | C19 | 108.8° | 111.4° |
| C20 | C1 | C2 | 113.3° | 111.4° |
| C1 | C20 | H16 | 109.5° | 109.5° |
| C1 | C20 | H17 | 109.5° | 109.5° |
| C1 | C20 | H18 | 109.5° | 109.5° |
| C6 | C5 | C4 | 120.7° | 116.2° |
| C6 | C5 | C35 | 120.6° | 121.5° |
| N24 | C19 | C18 | 102.8° | 107.0° |
| N24 | C19 | C1 | 108.3° | 102.3° |
| N24 | C19 | H15 | 109.1° | 110.9° |
| C18 | C17 | C54 | 112.0° | 110.7° |
| C17 | C18 | C19 | 103.3° | 100.4° |
| C17 | C18 | C60 | 115.5° | 111.1° |
| C17 | C18 | H14 | 107.4° | 111.9° |
| C17 | C54 | H55 | 109.5° | 109.4° |
| C17 | C54 | H56 | 109.5° | 109.4° |
| C17 | C54 | H57 | 109.5° | 109.5° |
| C1L | C2L | C3L | 177.2° | 180.0° |
| C1 | N21 | C4 | 114.8° | 106.9° |
| N21 | C1 | C19 | 103.1° | 103.2° |
| N21 | C1 | C2 | 100.7° | 106.6° |
| N21 | C4 | C5 | 123.8° | 116.7° |
| N21 | C4 | C3 | 109.7° | 112.3° |
| C7L | C8L | C3L | 120.4° | 120.0° |
| C8L | C7L | C6L | 119.8° | 120.0° |
| C8L | C7L | H66 | 120.1° | 120.0° |
| C7L | C8L | H68 | 119.8° | 120.0° |
| C8L | C3L | C2L | 123.2° | 120.0° |
| C8L | C3L | C4L | 117.6° | 120.0° |
| C3L | C8L | H68 | 119.8° | 120.1° |
| C2L | C3L | C4L | 119.3° | 120.0° |
| C19 | C18 | C60 | 115.1° | 110.6° |
| C18 | C19 | C1 | 119.3° | 111.6° |
| C19 | C18 | H14 | 107.7° | 110.5° |
| C18 | C19 | H15 | 108.7° | 111.9° |
| C18 | C60 | C61 | 114.7° | 109.5° |
| C60 | C18 | H14 | 107.4° | 111.8° |
| C18 | C60 | H64 | 108.2° | 109.5° |
| C18 | C60 | H65 | 108.1° | 109.4° |
| C19 | C1 | C2 | 117.4° | 112.2° |
| C1 | C19 | H15 | 108.3° | 112.6° |
| C1 | C2 | C3 | 103.3° | 102.0° |
| C1 | C2 | C25 | 110.6° | 110.1° |
| C1 | C2 | C26 | 107.8° | 111.0° |
| C4 | C5 | C35 | 114.7° | 122.3° |
| C5 | C4 | C3 | 123.9° | 130.8° |
| C5 | C35 | H28 | 109.5° | 109.4° |
| C5 | C35 | H29 | 109.4° | 109.5° |
| C5 | C35 | H30 | 109.5° | 109.5° |
| O62 | C61 | C60 | 122.2° | 120.0° |
| O62 | C61 | N63 | 122.1° | 120.0° |
| C4 | C3 | C30 | 113.1° | 110.3° |
| C4 | C3 | C2 | 100.7° | 104.0° |
| C4 | C3 | H2 | 108.1° | 110.6° |
| O33 | C32 | N34 | 122.7° | 120.0° |
| O33 | C32 | C31 | 122.1° | 120.0° |
| C3 | C30 | C31 | 113.9° | 109.5° |
| C30 | C3 | C2 | 118.9° | 110.2° |
| C30 | C3 | H2 | 107.8° | 110.9° |
| C3 | C30 | H24 | 108.4° | 109.5° |
| C3 | C30 | H25 | 108.4° | 109.4° |
| C30 | C31 | C32 | 113.1° | 109.5° |
| C31 | C30 | H24 | 108.3° | 109.4° |
| C31 | C30 | H25 | 108.4° | 109.5° |
| C30 | C31 | H26 | 108.6° | 109.5° |
| C30 | C31 | H27 | 108.6° | 109.5° |
| C7L | C6L | C01 | 119.4° | 120.0° |
| C7L | C6L | C5L | 121.9° | 120.0° |
| C6L | C7L | H66 | 120.1° | 120.0° |
| C3L | C4L | C5L | 122.5° | 120.0° |
| C3L | C4L | H50 | 118.8° | 120.0° |
| N34 | C32 | C31 | 114.9° | 120.0° |
| C32 | N34 | H83 | 120.0° | 120.0° |
| C32 | N34 | H84 | 120.0° | 120.0° |
| C32 | C31 | H26 | 108.6° | 109.5° |
| C32 | C31 | H27 | 108.6° | 109.5° |
| C60 | C61 | N63 | 115.0° | 120.0° |
| C61 | C60 | H64 | 108.1° | 109.5° |
| C61 | C60 | H65 | 108.2° | 109.5° |
| C61 | N63 | H92 | 120.0° | 120.0° |
| C61 | N63 | H93 | 120.0° | 120.1° |
| C3 | C2 | C25 | 115.2° | 110.9° |
| C3 | C2 | C26 | 106.6° | 111.4° |
| C2 | C3 | H2 | 107.6° | 110.7° |
| C25 | C2 | C26 | 112.6° | 111.1° |
| C2 | C25 | H19 | 109.5° | 109.5° |
| C2 | C25 | H20 | 109.5° | 109.5° |
| C2 | C25 | H21 | 109.5° | 109.4° |
| C2 | C26 | C27 | 114.1° | 109.5° |
| C2 | C26 | H22 | 108.3° | 109.4° |
| C2 | C26 | H23 | 108.3° | 109.4° |
| C01 | C6L | C5L | 118.6° | 120.0° |
| C6L | C01 | C05 | 123.9° | 126.9° |
| C6L | C01 | N01 | 122.8° | 126.9° |
| C6L | C5L | C4L | 117.9° | 120.0° |
| C6L | C5L | H62 | 121.1° | 120.0° |
| C5L | C4L | H50 | 118.7° | 120.0° |
| C4L | C5L | H62 | 121.1° | 120.0° |
| C01 | C05 | N03 | 98.5° | 106.0° |
| C05 | C01 | N01 | 113.2° | 106.2° |
| C01 | C05 | H10 | 130.7° | 127.0° |
| C05 | N03 | C02 | 122.4° | 125.7° |
| C05 | N03 | N02 | 115.8° | 108.5° |
| N03 | C05 | H10 | 130.8° | 127.0° |
| C01 | N01 | N02 | 107.1° | 108.8° |
| C26 | C27 | O28 | 121.9° | 120.0° |
| C26 | C27 | N29 | 115.5° | 120.0° |
| C27 | C26 | H22 | 108.3° | 109.5° |
| C27 | C26 | H23 | 108.3° | 109.5° |
| C02 | N03 | N02 | 121.8° | 125.8° |
| N03 | C02 | C03 | 108.2° | 109.4° |
| N03 | C02 | H4 | 109.8° | 109.5° |
| N03 | C02 | H5 | 109.8° | 109.4° |
| N03 | N02 | N01 | 105.3° | 110.5° |
| C02 | C03 | C04 | 111.3° | 109.4° |
| C03 | C02 | H4 | 109.8° | 109.5° |
| C03 | C02 | H5 | 109.8° | 109.5° |
| C02 | C03 | H6 | 109.0° | 109.5° |
| C02 | C03 | H7 | 109.0° | 109.5° |
| O28 | C27 | N29 | 121.6° | 120.0° |
| C27 | N29 | H81 | 120.0° | 119.9° |
| C27 | N29 | H82 | 120.0° | 120.0° |
| C03 | C04 | N04 | 109.7° | 109.4° |
| C04 | C03 | H6 | 109.0° | 109.4° |
| C04 | C03 | H7 | 109.0° | 109.5° |
| C03 | C04 | H8 | 109.4° | 109.5° |
| C03 | C04 | H9 | 109.4° | 109.5° |
| N04 | C04 | H8 | 109.4° | 109.5° |
| N04 | C04 | H9 | 109.4° | 109.5° |
| C04 | N04 | H78 | 109.5° | 111.0° |
| C04 | N04 | H79 | 109.5° | 111.0° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H16 | C20 | H18 | 109.4° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.4° |
| 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° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H28 | C35 | H30 | 109.4° | 109.4° |
| H29 | C35 | H30 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.4° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H36 | C41 | H37 | 109.5° | 109.5° |
| H38 | C42 | H39 | 109.5° | 109.5° |
| H40 | C46 | H41 | 109.5° | 109.4° |
| H40 | C46 | H42 | 109.5° | 109.5° |
| H41 | C46 | H42 | 109.4° | 109.5° |
| H43 | C47 | H44 | 109.4° | 109.5° |
| H43 | C47 | H45 | 109.5° | 109.4° |
| H44 | C47 | H45 | 109.5° | 109.5° |
| H46 | C48 | H47 | 109.5° | 109.5° |
| H48 | C49 | H49 | 109.5° | 109.5° |
| H52 | C53 | H53 | 109.5° | 109.5° |
| H52 | C53 | H54 | 109.5° | 109.5° |
| H53 | C53 | H54 | 109.5° | 109.4° |
| H55 | C54 | H56 | 109.5° | 109.5° |
| H55 | C54 | H57 | 109.5° | 109.5° |
| H56 | C54 | H57 | 109.5° | 109.5° |
| H58 | C55 | H59 | 109.4° | 109.5° |
| H60 | C56 | H61 | 109.5° | 109.5° |
| H64 | C60 | H65 | 109.5° | 109.5° |
| H76 | CR5 | H77 | 109.5° | 109.4° |
| H78 | N04 | H79 | 109.4° | 111.0° |
| H81 | N29 | H82 | 120.0° | 120.0° |
| H83 | N34 | H84 | 120.0° | 120.0° |
| H85 | N40 | H86 | 120.0° | 120.0° |
| H87 | N45 | H88 | 120.0° | 120.0° |
| H89 | N52 | H90 | 120.0° | 119.9° |
| H92 | N63 | H93 | 120.0° | 119.9° |
| H13 | CPR1 | H51 | 109.5° | 109.5° |
| H80 | CPR3 | H63 | 109.5° | 109.4° |
| H80 | CPR3 | H69 | 109.4° | 109.4° |
| H63 | CPR3 | H69 | 109.5° | 109.4° |
| H99 | CB10 | H97 | 109.4° | 109.5° |
| H99 | CB10 | H98 | 109.5° | 109.4° |
| H97 | CB10 | H98 | 109.5° | 109.5° |
| H102 | CB11 | H100 | 109.5° | 109.5° |
| H102 | CB11 | H101 | 109.5° | 109.5° |
| H100 | CB11 | H101 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OR8 | CR5 | CR4 | H76 | 120.4° | 120.0° |
| OR8 | CR5 | CR4 | H77 | 120.4° | 120.0° |
| OR8 | CR5 | CR4 | CR3 | 147.9° | 176.4° |
| OR8 | CR5 | CR4 | OR6 | 93.3° | 69.6° |
| OR8 | CR5 | CR4 | H75 | 25.2° | 53.4° |
| OR8 | CR5 | H76 | H77 | 118.8° | 120.0° |
| CR5 | CR4 | CR3 | OR6 | 119.3° | 118.5° |
| CR5 | CR4 | CR3 | H75 | 123.0° | 123.0° |
| CR5 | CR4 | OR6 | H75 | 118.0° | 123.0° |
| CR5 | CR4 | CR3 | CR2 | 134.0° | 155.5° |
| CR5 | CR4 | CR3 | OP2 | 107.4° | 86.3° |
| CR5 | CR4 | OR6 | CR1 | 120.7° | 158.5° |
| CR5 | CR4 | CR3 | H74 | 15.0° | 37.3° |
| CR4 | CR5 | H76 | H77 | 118.8° | 120.0° |
| CR4 | CR5 | OR8 | H95 | 180.0° | 172.3° |
| OP4 | P1 | OP2 | CR3 | 39.2° | 69.1° |
| OP4 | P1 | OP2 | OP5 | 132.2° | 119.9° |
| OP4 | P1 | OP2 | OP3 | 116.9° | 120.0° |
| OP4 | P1 | OP5 | OP3 | 126.9° | 120.0° |
| OP4 | P1 | OP3 | CPR2 | 45.2° | 55.8° |
| OP4 | P1 | OP5 | H94 | 0.0° | 180.0° |
| N45 | C43 | O44 | C42 | 159.5° | 179.9° |
| N45 | C43 | C42 | C41 | 162.4° | 180.0° |
| N45 | C43 | C42 | H38 | 77.6° | 60.1° |
| N45 | C43 | C42 | H39 | 42.3° | 60.0° |
| C43 | N45 | H87 | H88 | 180.0° | 179.9° |
| C50 | C49 | C48 | H48 | 120.0° | 120.0° |
| C50 | C49 | C48 | H49 | 120.0° | 120.0° |
| C49 | C50 | N52 | O51 | 161.3° | 180.0° |
| C50 | C49 | C48 | C13 | 32.7° | 177.1° |
| C50 | C49 | C48 | H46 | 153.6° | 63.0° |
| C50 | C49 | C48 | H47 | 88.1° | 57.1° |
| C50 | C49 | H48 | H49 | 120.0° | 120.0° |
| C49 | C50 | N52 | H89 | 161.3° | 5.0° |
| C49 | C50 | N52 | H90 | 18.7° | 175.0° |
| C48 | C49 | C50 | N52 | 103.3° | 175.0° |
| C48 | C49 | C50 | O51 | 94.8° | 5.0° |
| C49 | C48 | C13 | H46 | 120.8° | 120.0° |
| C49 | C48 | C13 | H47 | 120.8° | 120.0° |
| C49 | C48 | C13 | C12 | 82.4° | 91.5° |
| C49 | C48 | C13 | C14 | 164.1° | 155.4° |
| C49 | C48 | C13 | H12 | 43.8° | 32.6° |
| C49 | C48 | H46 | H47 | 117.3° | 120.1° |
| C48 | C49 | H48 | H49 | 120.0° | 120.0° |
| CR3 | CR4 | OR6 | H75 | 117.1° | 118.5° |
| CR4 | CR3 | CR2 | OP2 | 116.0° | 118.2° |
| CR4 | CR3 | CR2 | H74 | 118.8° | 118.2° |
| CR4 | CR3 | OP2 | H74 | 121.5° | 123.7° |
| CR3 | CR4 | OR6 | CR1 | 4.3° | 40.1° |
| CR4 | CR3 | CR2 | CR1 | 26.4° | 20.9° |
| CR4 | CR3 | OP2 | P1 | 129.9° | 127.7° |
| CR4 | CR3 | CR2 | OR7 | 89.5° | 97.8° |
| CR4 | CR3 | CR2 | H73 | 146.1° | 139.6° |
| CR3 | CR4 | CR5 | H76 | 91.7° | 56.3° |
| CR3 | CR4 | CR5 | H77 | 27.5° | 63.7° |
| OR6 | CR4 | CR3 | CR2 | 14.7° | 37.0° |
| OR6 | CR4 | CR3 | OP2 | 133.3° | 155.2° |
| CR4 | OR6 | CR1 | CR2 | 21.2° | 26.5° |
| CR4 | OR6 | CR1 | NB1 | 137.9° | 92.9° |
| CR4 | OR6 | CR1 | H72 | 98.6° | 146.0° |
| OR6 | CR4 | CR3 | H74 | 104.3° | 81.2° |
| OR6 | CR4 | CR5 | H76 | 27.1° | 170.4° |
| OR6 | CR4 | CR5 | H77 | 146.3° | 50.4° |
| CR2 | CR3 | OP2 | H74 | 124.4° | 123.6° |
| CR3 | CR2 | CR1 | OR6 | 29.5° | 2.0° |
| CR3 | CR2 | CR1 | OR7 | 113.9° | 118.7° |
| CR3 | CR2 | CR1 | H73 | 119.9° | 118.8° |
| CR3 | CR2 | CR1 | NB1 | 146.0° | 117.4° |
| CR2 | CR3 | OP2 | P1 | 116.0° | 119.6° |
| CR3 | CR2 | OR7 | H73 | 123.4° | 122.6° |
| CR3 | CR2 | CR1 | H72 | 91.7° | 121.6° |
| CR2 | CR3 | CR4 | H75 | 103.0° | 81.5° |
| CR3 | CR2 | OR7 | H96 | 180.0° | 176.2° |
| OP2 | CR3 | CR2 | CR1 | 142.3° | 139.1° |
| CR3 | OP2 | P1 | OP5 | 93.0° | 50.8° |
| CR3 | OP2 | P1 | OP3 | 156.1° | 170.9° |
| OP2 | CR3 | CR2 | OR7 | 26.5° | 20.4° |
| OP2 | CR3 | CR2 | H73 | 97.9° | 102.2° |
| OP2 | CR3 | CR4 | H75 | 15.5° | 36.7° |
| OR6 | CR1 | CR2 | NB1 | 116.5° | 119.4° |
| OR6 | CR1 | CR2 | H72 | 121.1° | 119.6° |
| OR6 | CR1 | NB1 | H72 | 123.9° | 121.2° |
| OR6 | CR1 | CR2 | OR7 | 84.5° | 120.7° |
| OR6 | CR1 | NB1 | CB8 | 156.1° | 157.2° |
| OR6 | CR1 | NB1 | CB2 | 24.9° | 22.5° |
| OR6 | CR1 | CR2 | H73 | 149.4° | 116.8° |
| CR1 | OR6 | CR4 | H75 | 121.3° | 78.4° |
| CR2 | CR1 | NB1 | H72 | 121.5° | 121.0° |
| CR1 | CR2 | OR7 | H73 | 125.0° | 122.6° |
| CR2 | CR1 | NB1 | CB8 | 89.4° | 85.0° |
| CR2 | CR1 | NB1 | CB2 | 89.6° | 95.3° |
| CR1 | CR2 | CR3 | H74 | 92.5° | 97.4° |
| CR1 | CR2 | OR7 | H96 | 68.4° | 61.4° |
| NB1 | CR1 | CR2 | OR7 | 32.1° | 1.3° |
| CR1 | NB1 | CB8 | CB7 | 1.0° | 0.3° |
| CR1 | NB1 | CB8 | CB2 | 179.1° | 179.8° |
| CR1 | NB1 | CB8 | CB9 | 179.4° | 179.8° |
| CR1 | NB1 | CB2 | NB3 | 179.3° | 179.8° |
| CR1 | NB1 | CB2 | H3 | 0.7° | 0.3° |
| NB1 | CR1 | CR2 | H73 | 94.1° | 123.9° |
| N52 | C50 | C49 | H48 | 136.7° | 65.0° |
| N52 | C50 | C49 | H49 | 16.7° | 55.0° |
| C50 | N52 | H89 | H90 | 180.0° | 179.9° |
| O51 | C50 | C49 | H48 | 25.2° | 115.0° |
| O51 | C50 | C49 | H49 | 145.2° | 125.0° |
| O51 | C50 | N52 | H89 | 0.0° | 175.0° |
| O51 | C50 | N52 | H90 | 180.0° | 5.1° |
| OP2 | P1 | OP5 | OP3 | 108.5° | 120.0° |
| OP2 | P1 | OP3 | CPR2 | 67.3° | 175.8° |
| P1 | OP2 | CR3 | H74 | 8.4° | 4.0° |
| OP2 | P1 | OP5 | H94 | 124.7° | 60.1° |
| OP5 | P1 | OP3 | CPR2 | 176.9° | 64.2° |
| P1 | OP3 | CPR2 | CPR3 | 111.4° | 93.3° |
| P1 | OP3 | CPR2 | CPR1 | 130.8° | 146.7° |
| OP3 | P1 | OP5 | H94 | 126.9° | 59.9° |
| P1 | OP3 | CPR2 | H1 | 9.6° | 26.7° |
| CPR3 | CPR2 | OP3 | CPR1 | 117.8° | 120.0° |
| CPR3 | CPR2 | OP3 | H1 | 121.0° | 120.0° |
| CPR3 | CPR2 | CPR1 | H1 | 122.7° | 120.0° |
| CPR3 | CPR2 | CPR1 | N59 | 161.9° | 176.6° |
| CPR3 | CPR2 | CPR1 | H13 | 40.9° | 63.5° |
| CPR3 | CPR2 | CPR1 | H51 | 77.2° | 56.6° |
| CPR2 | CPR3 | H80 | H63 | 120.0° | 120.0° |
| CPR2 | CPR3 | H80 | H69 | 120.0° | 120.1° |
| CPR2 | CPR3 | H63 | H69 | 120.0° | 120.1° |
| CB11 | CB6 | CB7 | CB5 | 179.8° | 180.0° |
| CB11 | CB6 | CB7 | CB8 | 179.8° | 180.0° |
| CB11 | CB6 | CB5 | CB10 | 0.2° | 0.0° |
| CB11 | CB6 | CB5 | CB4 | 179.8° | 179.9° |
| CB11 | CB6 | CB7 | H71 | 0.2° | 0.0° |
| CB6 | CB11 | H102 | H100 | 120.0° | 120.0° |
| CB6 | CB11 | H102 | H101 | 120.0° | 120.0° |
| CB6 | CB11 | H100 | H101 | 120.0° | 120.0° |
| O44 | C43 | C42 | C41 | 2.6° | 0.1° |
| O44 | C43 | C42 | H38 | 122.6° | 120.0° |
| O44 | C43 | C42 | H39 | 117.5° | 119.9° |
| O44 | C43 | N45 | H87 | 0.0° | 0.0° |
| O44 | C43 | N45 | H88 | 180.0° | 179.9° |
| C43 | C42 | C41 | H38 | 120.0° | 120.0° |
| C43 | C42 | C41 | H39 | 120.1° | 120.0° |
| C43 | C42 | C41 | C8 | 172.9° | 179.4° |
| C43 | C42 | C41 | H36 | 51.3° | 59.4° |
| C43 | C42 | C41 | H37 | 65.5° | 60.6° |
| C43 | C42 | H38 | H39 | 119.9° | 120.0° |
| C42 | C43 | N45 | H87 | 160.1° | 180.0° |
| C42 | C43 | N45 | H88 | 19.9° | 0.0° |
| OR7 | CR2 | CR1 | H72 | 154.4° | 119.7° |
| OR7 | CR2 | CR3 | H74 | 151.7° | 143.9° |
| CB6 | CB7 | CB8 | H71 | 180.0° | 180.0° |
| CB6 | CB7 | CB8 | NB1 | 179.7° | 180.0° |
| CB6 | CB7 | CB8 | CB9 | 0.1° | 0.1° |
| CB7 | CB6 | CB5 | CB10 | 179.9° | 180.0° |
| CB7 | CB6 | CB5 | CB4 | 0.1° | 0.0° |
| CB7 | CB6 | CB11 | H102 | 89.9° | 90.0° |
| CB7 | CB6 | CB11 | H100 | 150.1° | 30.0° |
| CB7 | CB6 | CB11 | H101 | 30.1° | 150.0° |
| CB8 | CB7 | CB6 | CB5 | 0.1° | 0.0° |
| CB7 | CB8 | NB1 | CB9 | 179.6° | 179.9° |
| CB7 | CB8 | NB1 | CB2 | 179.9° | 179.9° |
| CB7 | CB8 | CB9 | CB4 | 0.2° | 0.1° |
| CB7 | CB8 | CB9 | NB3 | 179.9° | 180.0° |
| C47 | C12 | C13 | C48 | 34.9° | 2.0° |
| C47 | C12 | C13 | C11 | 125.6° | 117.8° |
| C47 | C12 | C13 | C46 | 123.7° | 124.0° |
| C47 | C12 | C11 | C46 | 116.3° | 122.9° |
| C47 | C12 | C13 | C14 | 151.8° | 120.0° |
| C47 | C12 | C11 | C10 | 40.0° | 55.4° |
| C47 | C12 | C11 | N23 | 154.5° | 123.9° |
| C47 | C12 | C13 | H12 | 91.4° | 121.6° |
| C47 | C12 | C46 | H40 | 180.0° | 64.3° |
| C47 | C12 | C46 | H41 | 60.0° | 55.7° |
| C47 | C12 | C46 | H42 | 60.0° | 175.7° |
| C12 | C47 | H43 | H44 | 120.0° | 120.1° |
| C12 | C47 | H43 | H45 | 120.0° | 120.0° |
| C12 | C47 | H44 | H45 | 120.0° | 120.0° |
| OP3 | CPR2 | CPR1 | H1 | 121.8° | 120.0° |
| OP3 | CPR2 | CPR1 | N59 | 46.4° | 56.6° |
| OP3 | CPR2 | CPR1 | H13 | 74.6° | 176.6° |
| OP3 | CPR2 | CPR1 | H51 | 167.3° | 63.4° |
| OP3 | CPR2 | CPR3 | H80 | 180.0° | 180.0° |
| OP3 | CPR2 | CPR3 | H63 | 60.0° | 60.0° |
| OP3 | CPR2 | CPR3 | H69 | 60.0° | 60.0° |
| CPR2 | CPR1 | N59 | H13 | 120.9° | 120.0° |
| CPR2 | CPR1 | N59 | H51 | 121.0° | 120.0° |
| CPR2 | CPR1 | N59 | C57 | 87.1° | 170.6° |
| CPR2 | CPR1 | N59 | H91 | 92.9° | 9.4° |
| CPR2 | CPR1 | H13 | H51 | 117.1° | 120.0° |
| CPR1 | CPR2 | CPR3 | H80 | 64.2° | 60.0° |
| CPR1 | CPR2 | CPR3 | H63 | 55.8° | 60.0° |
| CPR1 | CPR2 | CPR3 | H69 | 175.8° | 180.0° |
| C48 | C13 | C12 | C14 | 116.9° | 117.9° |
| C48 | C13 | C12 | H12 | 126.3° | 123.7° |
| C48 | C13 | C12 | C11 | 90.7° | 115.7° |
| C48 | C13 | C12 | C46 | 158.6° | 126.0° |
| C48 | C13 | C14 | H12 | 120.1° | 122.8° |
| C48 | C13 | C14 | N23 | 102.0° | 119.5° |
| C48 | C13 | C14 | C15 | 78.5° | 58.1° |
| C13 | C48 | H46 | H47 | 117.4° | 119.9° |
| C13 | C48 | C49 | H48 | 87.3° | 57.1° |
| C13 | C48 | C49 | H49 | 152.7° | 63.0° |
| CB6 | CB5 | CB10 | CB4 | 180.0° | 180.0° |
| CB6 | CB5 | CB4 | CB9 | 0.1° | 0.0° |
| CB6 | CB5 | CB4 | H70 | 179.9° | 180.0° |
| CB5 | CB6 | CB7 | H71 | 179.9° | 180.0° |
| CB6 | CB5 | CB10 | H99 | 90.0° | 90.1° |
| CB6 | CB5 | CB10 | H97 | 150.0° | 30.0° |
| CB6 | CB5 | CB10 | H98 | 30.0° | 150.0° |
| CB5 | CB6 | CB11 | H102 | 89.9° | 90.0° |
| CB5 | CB6 | CB11 | H100 | 30.1° | 150.0° |
| CB5 | CB6 | CB11 | H101 | 150.1° | 30.0° |
| CB8 | NB1 | CB2 | NB3 | 0.2° | 0.0° |
| NB1 | CB8 | CB9 | CB4 | 179.9° | 180.0° |
| NB1 | CB8 | CB9 | NB3 | 0.2° | 0.0° |
| CB8 | NB1 | CB2 | H3 | 179.8° | 180.0° |
| NB1 | CB8 | CB7 | H71 | 0.3° | 0.0° |
| CB8 | NB1 | CR1 | H72 | 32.2° | 36.0° |
| CB2 | NB1 | CB8 | CB9 | 0.2° | 0.0° |
| NB1 | CB2 | NB3 | H3 | 180.0° | 180.0° |
| NB1 | CB2 | NB3 | CB9 | 0.0° | 0.0° |
| CB2 | NB1 | CR1 | H72 | 148.9° | 143.7° |
| C42 | C41 | C8 | H36 | 121.6° | 120.0° |
| C42 | C41 | C8 | H37 | 121.6° | 120.0° |
| C42 | C41 | C8 | C9 | 44.1° | 65.3° |
| C42 | C41 | C8 | C7 | 156.3° | 178.3° |
| C42 | C41 | H36 | H37 | 114.9° | 119.9° |
| C41 | C42 | H38 | H39 | 119.9° | 120.0° |
| C42 | C41 | C8 | H67 | 77.3° | 57.6° |
| CB8 | CB9 | NB3 | CB2 | 0.1° | 0.0° |
| CB8 | CB9 | CB4 | CB5 | 0.2° | 0.1° |
| CB8 | CB9 | CB4 | NB3 | 179.9° | 179.9° |
| CB8 | CB9 | CB4 | H70 | 179.8° | 180.0° |
| CB9 | CB8 | CB7 | H71 | 179.9° | 179.9° |
| C13 | C12 | C11 | C46 | 114.4° | 118.6° |
| C12 | C13 | C14 | H12 | 116.5° | 119.0° |
| C13 | C12 | C11 | C10 | 169.3° | 173.9° |
| C13 | C12 | C11 | N23 | 25.2° | 5.4° |
| C12 | C13 | C14 | N23 | 21.4° | 1.3° |
| C12 | C13 | C14 | C15 | 158.1° | 176.3° |
| C13 | C12 | C46 | H40 | 48.9° | 60.0° |
| C13 | C12 | C46 | H41 | 71.2° | 179.9° |
| C13 | C12 | C46 | H42 | 168.9° | 60.0° |
| C13 | C12 | C47 | H43 | 180.0° | 61.9° |
| C13 | C12 | C47 | H44 | 60.0° | 178.1° |
| C13 | C12 | C47 | H45 | 60.0° | 58.0° |
| C12 | C13 | C48 | H46 | 38.4° | 148.5° |
| C12 | C13 | C48 | H47 | 156.7° | 28.5° |
| C11 | C12 | C13 | C14 | 26.2° | 2.2° |
| C12 | C11 | C10 | N23 | 163.6° | 179.2° |
| C12 | C11 | C10 | C9 | 166.2° | 174.0° |
| C12 | C11 | N23 | C14 | 12.7° | 6.6° |
| C12 | C11 | N23 | CO1 | 161.1° | 174.5° |
| C12 | C11 | C10 | H11 | 13.7° | 5.4° |
| C11 | C12 | C13 | H12 | 143.0° | 120.6° |
| C11 | C12 | C46 | H40 | 58.4° | 173.1° |
| C11 | C12 | C46 | H41 | 178.5° | 66.9° |
| C11 | C12 | C46 | H42 | 61.6° | 53.1° |
| C11 | C12 | C47 | H43 | 61.3° | 51.1° |
| C11 | C12 | C47 | H44 | 178.7° | 69.0° |
| C11 | C12 | C47 | H45 | 58.7° | 171.0° |
| C46 | C12 | C13 | C14 | 84.5° | 116.0° |
| C46 | C12 | C11 | C10 | 76.3° | 67.5° |
| C46 | C12 | C11 | N23 | 89.2° | 113.1° |
| C46 | C12 | C13 | H12 | 32.3° | 2.4° |
| C12 | C46 | H40 | H41 | 120.0° | 120.0° |
| C12 | C46 | H40 | H42 | 120.0° | 120.0° |
| C12 | C46 | H41 | H42 | 120.0° | 120.0° |
| C46 | C12 | C47 | H43 | 54.4° | 173.9° |
| C46 | C12 | C47 | H44 | 65.5° | 53.9° |
| C46 | C12 | C47 | H45 | 174.5° | 66.1° |
| C13 | C14 | N23 | C11 | 6.4° | 4.9° |
| C13 | C14 | N23 | C15 | 179.4° | 177.2° |
| C13 | C14 | N23 | CO1 | 179.9° | 176.2° |
| C13 | C14 | C15 | C53 | 11.7° | 3.5° |
| C13 | C14 | C15 | C16 | 177.7° | 176.5° |
| C14 | C13 | C48 | H46 | 75.1° | 35.4° |
| C14 | C13 | C48 | H47 | 43.2° | 84.5° |
| O58 | C57 | N59 | CPR1 | 0.2° | 6.7° |
| O58 | C57 | N59 | C56 | 179.9° | 180.0° |
| O58 | C57 | C56 | C55 | 93.8° | 10.3° |
| O58 | C57 | C56 | H60 | 26.6° | 109.6° |
| O58 | C57 | C56 | H61 | 145.7° | 130.4° |
| O58 | C57 | N59 | H91 | 179.8° | 173.3° |
| CPR1 | N59 | C57 | H91 | 180.0° | 180.0° |
| CPR1 | N59 | C57 | C56 | 179.9° | 173.3° |
| N59 | CPR1 | H13 | H51 | 117.0° | 120.0° |
| N59 | CPR1 | CPR2 | H1 | 75.4° | 63.4° |
| CB2 | NB3 | CB9 | CB4 | 180.0° | 179.9° |
| CB10 | CB5 | CB4 | CB9 | 179.9° | 180.0° |
| CB10 | CB5 | CB4 | H70 | 0.1° | 0.0° |
| CB5 | CB10 | H99 | H97 | 120.0° | 120.0° |
| CB5 | CB10 | H99 | H98 | 120.0° | 120.0° |
| CB5 | CB10 | H97 | H98 | 120.0° | 120.0° |
| CB5 | CB4 | CB9 | H70 | 180.0° | 180.0° |
| CB5 | CB4 | CB9 | NB3 | 179.9° | 180.0° |
| CB4 | CB5 | CB10 | H99 | 90.0° | 90.0° |
| CB4 | CB5 | CB10 | H97 | 30.0° | 150.0° |
| CB4 | CB5 | CB10 | H98 | 150.0° | 30.0° |
| CB9 | NB3 | CB2 | H3 | 179.9° | 180.0° |
| NB3 | CB9 | CB4 | H70 | 0.1° | 0.0° |
| C41 | C8 | C9 | C10 | 99.9° | 65.7° |
| C41 | C8 | C9 | C7 | 121.7° | 118.5° |
| C41 | C8 | C9 | H67 | 121.2° | 123.4° |
| C41 | C8 | C7 | H67 | 126.4° | 124.3° |
| C41 | C8 | C9 | N22 | 89.5° | 117.3° |
| C41 | C8 | C7 | C36 | 42.3° | 3.0° |
| C41 | C8 | C7 | C6 | 85.3° | 115.6° |
| C41 | C8 | C7 | C37 | 160.6° | 126.6° |
| C8 | C41 | H36 | H37 | 114.8° | 120.1° |
| C8 | C41 | C42 | H38 | 67.1° | 59.5° |
| C8 | C41 | C42 | H39 | 52.8° | 60.6° |
| C11 | C10 | C9 | H11 | 180.0° | 179.4° |
| C10 | C11 | N23 | C14 | 177.7° | 172.7° |
| C11 | C10 | C9 | C8 | 177.7° | 176.6° |
| C10 | C11 | N23 | CO1 | 3.9° | 6.2° |
| C11 | C10 | C9 | N22 | 8.7° | 6.9° |
| N23 | C11 | C10 | C9 | 2.7° | 5.2° |
| C11 | N23 | C14 | CO1 | 173.5° | 178.9° |
| C11 | N23 | C14 | C15 | 173.0° | 172.2° |
| C11 | N23 | CO1 | N22 | 4.3° | 12.4° |
| C11 | N23 | CO1 | N24 | 169.6° | 176.4° |
| C11 | N23 | CO1 | C1L | 74.0° | 86.3° |
| C11 | N23 | CO1 | N21 | 143.3° | 109.3° |
| N23 | C11 | C10 | H11 | 177.3° | 175.4° |
| C10 | C9 | C8 | N22 | 170.6° | 176.9° |
| C10 | C9 | C8 | C7 | 138.4° | 175.8° |
| C10 | C9 | N22 | CO1 | 6.6° | 3.1° |
| C10 | C9 | N22 | C6 | 151.9° | 177.6° |
| C10 | C9 | C8 | H67 | 21.2° | 57.7° |
| N59 | C57 | C56 | C55 | 86.2° | 169.6° |
| N59 | C57 | C56 | H60 | 153.4° | 70.4° |
| N59 | C57 | C56 | H61 | 34.2° | 49.6° |
| C57 | N59 | CPR1 | H13 | 152.0° | 50.6° |
| C57 | N59 | CPR1 | H51 | 33.9° | 69.4° |
| C57 | C56 | C55 | H60 | 120.4° | 120.0° |
| C57 | C56 | C55 | H61 | 120.4° | 120.1° |
| C57 | C56 | C55 | C17 | 154.2° | 176.0° |
| C57 | C56 | C55 | H58 | 85.6° | 64.0° |
| C57 | C56 | C55 | H59 | 34.0° | 56.0° |
| C57 | C56 | H60 | H61 | 118.7° | 120.1° |
| C56 | C57 | N59 | H91 | 0.1° | 6.7° |
| N23 | C14 | C15 | C53 | 167.6° | 173.5° |
| N23 | C14 | C15 | C16 | 3.0° | 6.5° |
| C14 | N23 | CO1 | N22 | 177.0° | 166.3° |
| C14 | N23 | CO1 | N24 | 3.1° | 2.4° |
| C14 | N23 | CO1 | C1L | 98.7° | 95.0° |
| C14 | N23 | CO1 | N21 | 44.0° | 69.4° |
| N23 | C14 | C13 | H12 | 137.8° | 117.7° |
| C15 | C14 | N23 | CO1 | 0.5° | 6.6° |
| C14 | C15 | C53 | C16 | 170.6° | 180.0° |
| C14 | C15 | C16 | N24 | 10.6° | 2.6° |
| C14 | C15 | C16 | C17 | 177.0° | 174.6° |
| C15 | C14 | C13 | H12 | 41.6° | 64.7° |
| C14 | C15 | C53 | H52 | 180.0° | 6.0° |
| C14 | C15 | C53 | H53 | 60.0° | 126.0° |
| C14 | C15 | C53 | H54 | 60.0° | 114.0° |
| C9 | C8 | C7 | H67 | 117.6° | 117.6° |
| C8 | C9 | N22 | CO1 | 176.7° | 173.6° |
| C8 | C9 | N22 | C6 | 18.2° | 1.0° |
| C9 | C8 | C7 | C36 | 158.3° | 121.1° |
| C9 | C8 | C7 | C6 | 30.7° | 2.5° |
| C9 | C8 | C7 | C37 | 83.5° | 115.3° |
| C8 | C9 | C10 | H11 | 2.3° | 2.8° |
| C9 | C8 | C41 | H36 | 165.8° | 174.7° |
| C9 | C8 | C41 | H37 | 77.4° | 54.6° |
| C7 | C8 | C9 | N22 | 32.2° | 1.2° |
| C8 | C7 | C6 | N22 | 22.8° | 3.4° |
| C8 | C7 | C36 | C6 | 114.7° | 113.9° |
| C8 | C7 | C36 | C37 | 120.6° | 123.8° |
| C8 | C7 | C6 | C37 | 116.0° | 118.5° |
| C8 | C7 | C37 | C38 | 64.9° | 54.5° |
| C8 | C7 | C6 | C5 | 157.3° | 179.0° |
| C8 | C7 | C36 | H31 | 180.0° | 178.2° |
| C8 | C7 | C36 | H32 | 60.0° | 61.8° |
| C8 | C7 | C36 | H33 | 60.0° | 58.2° |
| C8 | C7 | C37 | H34 | 174.6° | 65.4° |
| C8 | C7 | C37 | H35 | 55.8° | 174.5° |
| C7 | C8 | C41 | H36 | 82.1° | 61.8° |
| C7 | C8 | C41 | H37 | 34.7° | 58.3° |
| N23 | CO1 | N22 | C9 | 0.6° | 10.9° |
| N23 | CO1 | N22 | N24 | 140.5° | 104.5° |
| N23 | CO1 | N22 | C1L | 86.6° | 98.2° |
| N23 | CO1 | N22 | N21 | 174.9° | 162.3° |
| N23 | CO1 | N22 | C6 | 154.2° | 175.6° |
| N23 | CO1 | N24 | C1L | 88.1° | 96.6° |
| N23 | CO1 | N24 | N21 | 174.3° | 163.6° |
| N23 | CO1 | C1L | N21 | 175.3° | 175.2° |
| N23 | CO1 | N24 | C16 | 11.6° | 0.9° |
| N23 | CO1 | N24 | C19 | 174.4° | 174.4° |
| N23 | CO1 | C1L | C2L | 86.7° | 115.8° |
| N23 | CO1 | N21 | C1 | 22.2° | 57.3° |
| N23 | CO1 | N21 | C4 | 165.0° | 119.4° |
| C9 | N22 | CO1 | C6 | 154.8° | 173.5° |
| C9 | N22 | CO1 | N24 | 141.1° | 115.4° |
| C9 | N22 | CO1 | C1L | 87.2° | 87.3° |
| C9 | N22 | CO1 | N21 | 174.3° | 173.2° |
| C9 | N22 | C6 | C7 | 3.9° | 2.8° |
| C9 | N22 | C6 | C5 | 176.2° | 179.9° |
| N22 | C9 | C10 | H11 | 171.3° | 173.6° |
| N22 | C9 | C8 | H67 | 149.3° | 119.3° |
| C53 | C15 | C16 | N24 | 159.7° | 177.4° |
| C53 | C15 | C16 | C17 | 12.7° | 5.3° |
| C15 | C53 | H52 | H53 | 120.0° | 120.0° |
| C15 | C53 | H52 | H54 | 120.0° | 120.1° |
| C15 | C53 | H53 | H54 | 120.0° | 120.0° |
| C56 | C55 | C17 | C16 | 38.0° | 56.4° |
| C56 | C55 | C17 | H58 | 120.2° | 120.0° |
| C56 | C55 | C17 | H59 | 120.2° | 120.0° |
| C56 | C55 | C17 | C18 | 75.3° | 57.7° |
| C56 | C55 | C17 | C54 | 161.4° | 179.5° |
| C56 | C55 | H58 | H59 | 119.4° | 120.0° |
| C55 | C56 | H60 | H61 | 118.7° | 120.0° |
| C15 | C16 | N24 | CO1 | 16.7° | 0.7° |
| C15 | C16 | N24 | C17 | 173.6° | 177.7° |
| C15 | C16 | C17 | C55 | 43.2° | 49.7° |
| C15 | C16 | N24 | C19 | 179.6° | 174.7° |
| C15 | C16 | C17 | C18 | 161.1° | 168.1° |
| C15 | C16 | C17 | C54 | 82.5° | 73.3° |
| C16 | C15 | C53 | H52 | 9.3° | 174.0° |
| C16 | C15 | C53 | H53 | 129.4° | 54.0° |
| C16 | C15 | C53 | H54 | 110.6° | 66.0° |
| O39 | C38 | C37 | C7 | 76.0° | 5.2° |
| O39 | C38 | C37 | N40 | 170.1° | 179.9° |
| O39 | C38 | C37 | H34 | 163.4° | 125.2° |
| O39 | C38 | C37 | H35 | 44.6° | 114.8° |
| O39 | C38 | N40 | H85 | 0.0° | 180.0° |
| O39 | C38 | N40 | H86 | 180.0° | 0.0° |
| N22 | CO1 | N24 | C1L | 52.8° | 157.3° |
| N22 | CO1 | N24 | N21 | 44.8° | 57.6° |
| N22 | CO1 | C1L | N21 | 86.6° | 85.8° |
| CO1 | N22 | C6 | C7 | 153.3° | 171.4° |
| N22 | CO1 | N24 | C16 | 152.5° | 105.2° |
| CO1 | N22 | C6 | C5 | 26.6° | 5.7° |
| N22 | CO1 | N24 | C19 | 44.8° | 79.5° |
| N22 | CO1 | C1L | C2L | 11.4° | 16.8° |
| N22 | CO1 | N21 | C1 | 161.6° | 156.3° |
| N22 | CO1 | N21 | C4 | 25.6° | 20.4° |
| C6 | N22 | CO1 | N24 | 13.7° | 71.1° |
| C6 | N22 | CO1 | C1L | 67.6° | 86.2° |
| C6 | N22 | CO1 | N21 | 30.9° | 13.3° |
| N22 | C6 | C7 | C36 | 142.7° | 122.2° |
| N22 | C6 | C7 | C5 | 179.9° | 177.6° |
| N22 | C6 | C7 | C37 | 93.2° | 115.1° |
| N22 | C6 | C5 | C4 | 4.7° | 5.5° |
| N22 | C6 | C5 | C35 | 160.7° | 176.3° |
| N24 | CO1 | C1L | N21 | 85.7° | 87.9° |
| CO1 | N24 | C16 | C19 | 162.9° | 175.4° |
| CO1 | N24 | C16 | C17 | 169.7° | 178.4° |
| N24 | CO1 | C1L | C2L | 176.4° | 156.8° |
| N24 | CO1 | N21 | C1 | 25.2° | 9.8° |
| N24 | CO1 | N21 | C4 | 147.6° | 173.6° |
| CO1 | N24 | C19 | C18 | 150.5° | 163.4° |
| CO1 | N24 | C19 | C1 | 23.4° | 46.0° |
| CO1 | N24 | C19 | H15 | 94.3° | 74.3° |
| C1L | CO1 | N24 | C16 | 99.7° | 97.6° |
| C1L | CO1 | N24 | C19 | 97.5° | 77.8° |
| C1L | CO1 | N21 | C1 | 120.1° | 107.0° |
| C1L | CO1 | N21 | C4 | 52.7° | 76.4° |
| CO1 | C1L | C2L | C3L | 18.5° | 176.2° |
| N21 | CO1 | N24 | C16 | 162.8° | 162.7° |
| CO1 | N21 | C1 | C20 | 75.3° | 83.0° |
| N21 | CO1 | N24 | C19 | 0.0° | 21.9° |
| N21 | CO1 | C1L | C2L | 98.0° | 68.9° |
| CO1 | N21 | C1 | C4 | 174.0° | 177.8° |
| CO1 | N21 | C1 | C19 | 41.9° | 36.8° |
| CO1 | N21 | C1 | C2 | 163.6° | 155.1° |
| CO1 | N21 | C4 | C5 | 14.1° | 15.0° |
| CO1 | N21 | C4 | C3 | 176.2° | 168.6° |
| C36 | C7 | C6 | C37 | 124.0° | 122.8° |
| C36 | C7 | C37 | C38 | 55.1° | 69.3° |
| C36 | C7 | C6 | C5 | 37.3° | 60.2° |
| C7 | C36 | H31 | H32 | 120.0° | 120.0° |
| C7 | C36 | H31 | H33 | 120.0° | 120.0° |
| C7 | C36 | H32 | H33 | 120.0° | 120.0° |
| C36 | C7 | C37 | H34 | 65.5° | 170.8° |
| C36 | C7 | C37 | H35 | 175.7° | 50.8° |
| C36 | C7 | C8 | H67 | 84.2° | 121.3° |
| C6 | C7 | C37 | C38 | 173.2° | 168.0° |
| C7 | C6 | C5 | C4 | 175.2° | 177.4° |
| C7 | C6 | C5 | C35 | 19.2° | 0.8° |
| C6 | C7 | C36 | H31 | 65.3° | 64.3° |
| C6 | C7 | C36 | H32 | 174.7° | 175.7° |
| C6 | C7 | C36 | H33 | 54.7° | 55.7° |
| C6 | C7 | C37 | H34 | 66.2° | 48.1° |
| C6 | C7 | C37 | H35 | 52.6° | 72.0° |
| C6 | C7 | C8 | H67 | 148.3° | 120.2° |
| C7 | C37 | C38 | H34 | 120.6° | 119.9° |
| C7 | C37 | C38 | H35 | 120.6° | 120.1° |
| C7 | C37 | C38 | N40 | 113.9° | 174.9° |
| C37 | C7 | C6 | C5 | 86.7° | 62.6° |
| C37 | C7 | C36 | H31 | 59.4° | 58.0° |
| C37 | C7 | C36 | H32 | 60.6° | 62.0° |
| C37 | C7 | C36 | H33 | 179.4° | 178.0° |
| C7 | C37 | H34 | H35 | 118.1° | 120.0° |
| C37 | C7 | C8 | H67 | 34.1° | 2.4° |
| N24 | C16 | C17 | C55 | 143.7° | 132.9° |
| N24 | C16 | C17 | C18 | 25.8° | 14.5° |
| N24 | C16 | C17 | C54 | 90.6° | 104.1° |
| C16 | N24 | C19 | C18 | 15.9° | 19.7° |
| C16 | N24 | C19 | C1 | 143.0° | 137.1° |
| C16 | N24 | C19 | H15 | 99.3° | 102.6° |
| C16 | C17 | C55 | C18 | 113.3° | 114.1° |
| C16 | C17 | C55 | C54 | 123.4° | 123.1° |
| C17 | C16 | N24 | C19 | 6.8° | 3.0° |
| C16 | C17 | C18 | C54 | 111.7° | 118.7° |
| C16 | C17 | C18 | C19 | 33.9° | 24.1° |
| C16 | C17 | C18 | C60 | 160.5° | 141.2° |
| C16 | C17 | C18 | H14 | 79.7° | 93.1° |
| C16 | C17 | C54 | H55 | 180.0° | 58.6° |
| C16 | C17 | C54 | H56 | 60.0° | 178.6° |
| C16 | C17 | C54 | H57 | 60.0° | 61.5° |
| C16 | C17 | C55 | H58 | 158.1° | 63.6° |
| C16 | C17 | C55 | H59 | 82.2° | 176.4° |
| C55 | C17 | C18 | C54 | 122.5° | 122.8° |
| C55 | C17 | C18 | C19 | 159.8° | 142.7° |
| C55 | C17 | C18 | C60 | 73.6° | 100.3° |
| C55 | C17 | C18 | H14 | 46.1° | 25.5° |
| C55 | C17 | C54 | H55 | 49.0° | 178.3° |
| C55 | C17 | C54 | H56 | 71.0° | 58.3° |
| C55 | C17 | C54 | H57 | 169.1° | 61.6° |
| C17 | C55 | H58 | H59 | 119.5° | 120.0° |
| C17 | C55 | C56 | H60 | 33.8° | 56.1° |
| C17 | C55 | C56 | H61 | 85.4° | 63.9° |
| C38 | C37 | H34 | H35 | 118.1° | 120.0° |
| C37 | C38 | N40 | H85 | 170.1° | 0.1° |
| C37 | C38 | N40 | H86 | 9.9° | 180.0° |
| N40 | C38 | C37 | H34 | 6.7° | 54.9° |
| N40 | C38 | C37 | H35 | 125.4° | 65.1° |
| C38 | N40 | H85 | H86 | 180.0° | 180.0° |
| C20 | C1 | C19 | N24 | 80.6° | 69.4° |
| C20 | C1 | N21 | C19 | 117.2° | 119.8° |
| C20 | C1 | N21 | C2 | 121.1° | 121.9° |
| C20 | C1 | N21 | C4 | 110.7° | 94.8° |
| C20 | C1 | C19 | C18 | 36.3° | 44.7° |
| C20 | C1 | C19 | C2 | 130.3° | 125.6° |
| C20 | C1 | C2 | C3 | 94.5° | 93.8° |
| C20 | C1 | C2 | C25 | 29.3° | 24.0° |
| C20 | C1 | C2 | C26 | 152.8° | 147.4° |
| C20 | C1 | C19 | H15 | 161.2° | 171.4° |
| C1 | C20 | H16 | H17 | 120.0° | 120.0° |
| C1 | C20 | H16 | H18 | 120.0° | 120.1° |
| C1 | C20 | H17 | H18 | 120.0° | 120.0° |
| C6 | C5 | C4 | N21 | 2.5° | 2.2° |
| C6 | C5 | C4 | C35 | 157.4° | 178.2° |
| C6 | C5 | C4 | C3 | 157.2° | 173.4° |
| C6 | C5 | C35 | H28 | 180.0° | 173.9° |
| C6 | C5 | C35 | H29 | 60.0° | 54.0° |
| C6 | C5 | C35 | H30 | 60.0° | 66.1° |
| N24 | C19 | C18 | C17 | 31.2° | 26.9° |
| N24 | C19 | C1 | N21 | 39.5° | 50.6° |
| N24 | C19 | C18 | C1 | 119.8° | 111.2° |
| N24 | C19 | C18 | H15 | 115.5° | 121.7° |
| N24 | C19 | C18 | C60 | 158.0° | 144.3° |
| N24 | C19 | C1 | H15 | 118.2° | 119.1° |
| N24 | C19 | C1 | C2 | 149.1° | 164.9° |
| N24 | C19 | C18 | H14 | 82.2° | 91.4° |
| C17 | C18 | C19 | C60 | 126.8° | 117.4° |
| C17 | C18 | C19 | H14 | 113.4° | 118.3° |
| C17 | C18 | C60 | H14 | 119.7° | 125.8° |
| C17 | C18 | C19 | C1 | 150.9° | 138.0° |
| C17 | C18 | C60 | C61 | 126.3° | 71.2° |
| C17 | C18 | C19 | H15 | 84.4° | 94.8° |
| C18 | C17 | C54 | H55 | 72.2° | 55.6° |
| C18 | C17 | C54 | H56 | 167.8° | 64.4° |
| C18 | C17 | C54 | H57 | 47.8° | 175.6° |
| C18 | C17 | C55 | H58 | 44.8° | 177.7° |
| C18 | C17 | C55 | H59 | 164.5° | 62.4° |
| C17 | C18 | C60 | H64 | 5.6° | 48.8° |
| C17 | C18 | C60 | H65 | 112.9° | 168.8° |
| C54 | C17 | C18 | C19 | 77.7° | 94.5° |
| C54 | C17 | C18 | C60 | 48.9° | 22.5° |
| C54 | C17 | C18 | H14 | 168.6° | 148.3° |
| C17 | C54 | H55 | H56 | 120.0° | 120.0° |
| C17 | C54 | H55 | H57 | 120.0° | 120.0° |
| C17 | C54 | H56 | H57 | 120.0° | 120.0° |
| C54 | C17 | C55 | H58 | 78.5° | 59.5° |
| C54 | C17 | C55 | H59 | 41.2° | 60.5° |
| C1L | C2L | C3L | C8L | 59.9° | 166.7° |
| C1L | C2L | C3L | C4L | 119.8° | 13.1° |
| N21 | C1 | C19 | C18 | 156.4° | 164.7° |
| N21 | C1 | C19 | C2 | 109.6° | 114.4° |
| C1 | N21 | C4 | C5 | 173.2° | 161.7° |
| C1 | N21 | C4 | C3 | 11.0° | 14.6° |
| N21 | C1 | C2 | C3 | 26.3° | 28.3° |
| N21 | C1 | C2 | C25 | 150.2° | 146.1° |
| N21 | C1 | C2 | C26 | 86.3° | 90.5° |
| N21 | C1 | C19 | H15 | 78.7° | 68.6° |
| N21 | C1 | C20 | H16 | 180.0° | 172.9° |
| N21 | C1 | C20 | H17 | 60.0° | 67.2° |
| N21 | C1 | C20 | H18 | 60.0° | 52.8° |
| C4 | N21 | C1 | C19 | 132.1° | 145.4° |
| C4 | N21 | C1 | C2 | 10.4° | 27.1° |
| N21 | C4 | C5 | C3 | 159.7° | 175.5° |
| N21 | C4 | C5 | C35 | 154.9° | 179.6° |
| N21 | C4 | C3 | C30 | 100.7° | 114.4° |
| N21 | C4 | C3 | C2 | 27.4° | 3.7° |
| N21 | C4 | C3 | H2 | 140.1° | 122.5° |
| C7L | C8L | C3L | H68 | 180.0° | 179.5° |
| C7L | C8L | C3L | C2L | 179.7° | 179.7° |
| C8L | C7L | C6L | H66 | 180.0° | 179.7° |
| C7L | C8L | C3L | C4L | 0.5° | 0.5° |
| C8L | C7L | C6L | C01 | 178.9° | 179.7° |
| C8L | C7L | C6L | C5L | 1.0° | 0.3° |
| C8L | C3L | C2L | C4L | 179.7° | 179.8° |
| C3L | C8L | C7L | C6L | 0.2° | 0.6° |
| C8L | C3L | C4L | C5L | 0.6° | 0.2° |
| C8L | C3L | C4L | H50 | 179.4° | 179.8° |
| C3L | C8L | C7L | H66 | 179.8° | 179.7° |
| C2L | C3L | C4L | C5L | 179.7° | 180.0° |
| C2L | C3L | C4L | H50 | 0.4° | 0.0° |
| C2L | C3L | C8L | H68 | 0.3° | 0.3° |
| C19 | C18 | C60 | H14 | 119.9° | 123.5° |
| C18 | C19 | C1 | H15 | 124.9° | 126.8° |
| C18 | C19 | C1 | C2 | 93.9° | 81.0° |
| C19 | C18 | C60 | C61 | 113.4° | 178.2° |
| C19 | C18 | C60 | H64 | 125.9° | 61.8° |
| C19 | C18 | C60 | H65 | 7.4° | 58.2° |
| C60 | C18 | C19 | C1 | 82.2° | 104.5° |
| C18 | C60 | C61 | O62 | 1.2° | 9.1° |
| C18 | C60 | C61 | H64 | 120.8° | 120.0° |
| C18 | C60 | C61 | H65 | 120.7° | 120.0° |
| C18 | C60 | C61 | N63 | 171.5° | 170.9° |
| C60 | C18 | C19 | H15 | 42.5° | 22.6° |
| C18 | C60 | H64 | H65 | 117.6° | 120.0° |
| C19 | C1 | C2 | C3 | 137.3° | 140.5° |
| C19 | C1 | C2 | C25 | 98.8° | 101.6° |
| C19 | C1 | C2 | C26 | 24.7° | 21.8° |
| C1 | C19 | C18 | H14 | 37.5° | 19.8° |
| C19 | C1 | C20 | H16 | 66.2° | 58.0° |
| C19 | C1 | C20 | H17 | 173.8° | 178.0° |
| C19 | C1 | C20 | H18 | 53.8° | 62.1° |
| C1 | C2 | C3 | C4 | 32.1° | 19.1° |
| C1 | C2 | C3 | C30 | 92.0° | 99.1° |
| C1 | C2 | C3 | C25 | 120.8° | 117.2° |
| C1 | C2 | C3 | C26 | 113.5° | 118.5° |
| C1 | C2 | C25 | C26 | 120.7° | 123.3° |
| C1 | C2 | C26 | C27 | 152.9° | 178.6° |
| C1 | C2 | C3 | H2 | 145.1° | 137.9° |
| C2 | C1 | C19 | H15 | 30.9° | 45.8° |
| C2 | C1 | C20 | H16 | 66.3° | 68.0° |
| C2 | C1 | C20 | H17 | 53.7° | 51.9° |
| C2 | C1 | C20 | H18 | 173.7° | 171.9° |
| C1 | C2 | C25 | H19 | 180.0° | 45.2° |
| C1 | C2 | C25 | H20 | 60.0° | 74.8° |
| C1 | C2 | C25 | H21 | 60.0° | 165.2° |
| C1 | C2 | C26 | H22 | 86.4° | 58.6° |
| C1 | C2 | C26 | H23 | 32.3° | 61.4° |
| C5 | C4 | C3 | C30 | 61.5° | 61.3° |
| C5 | C4 | C3 | C2 | 170.5° | 179.4° |
| C5 | C4 | C3 | H2 | 57.8° | 61.8° |
| C4 | C5 | C35 | H28 | 22.6° | 8.0° |
| C4 | C5 | C35 | H29 | 97.4° | 127.9° |
| C4 | C5 | C35 | H30 | 142.6° | 112.0° |
| C35 | C5 | C4 | C3 | 45.4° | 4.8° |
| C5 | C35 | H28 | H29 | 120.0° | 120.0° |
| C5 | C35 | H28 | H30 | 120.0° | 120.0° |
| C5 | C35 | H29 | H30 | 120.0° | 120.1° |
| O62 | C61 | C60 | N63 | 170.2° | 180.0° |
| O62 | C61 | C60 | H64 | 122.0° | 129.1° |
| O62 | C61 | C60 | H65 | 119.5° | 110.9° |
| O62 | C61 | N63 | H92 | 0.0° | 179.9° |
| O62 | C61 | N63 | H93 | 180.0° | 0.0° |
| C4 | C3 | C30 | C2 | 117.8° | 114.2° |
| C4 | C3 | C30 | H2 | 119.4° | 122.9° |
| C4 | C3 | C30 | C31 | 153.4° | 68.1° |
| C4 | C3 | C2 | H2 | 113.1° | 118.8° |
| C4 | C3 | C2 | C25 | 152.9° | 136.3° |
| C4 | C3 | C2 | C26 | 81.4° | 99.4° |
| C4 | C3 | C30 | H24 | 32.7° | 51.9° |
| C4 | C3 | C30 | H25 | 85.9° | 171.9° |
| O33 | C32 | C31 | C30 | 61.9° | 0.1° |
| O33 | C32 | N34 | C31 | 174.3° | 179.9° |
| O33 | C32 | C31 | H26 | 177.5° | 120.1° |
| O33 | C32 | C31 | H27 | 58.6° | 119.9° |
| O33 | C32 | N34 | H83 | 0.0° | 180.0° |
| O33 | C32 | N34 | H84 | 180.0° | 0.0° |
| C3 | C30 | C31 | H24 | 120.7° | 120.0° |
| C3 | C30 | C31 | H25 | 120.7° | 120.0° |
| C3 | C30 | C31 | C32 | 172.4° | 173.0° |
| C30 | C3 | C2 | H2 | 122.8° | 123.0° |
| C30 | C3 | C2 | C25 | 28.8° | 18.1° |
| C30 | C3 | C2 | C26 | 154.5° | 142.4° |
| C3 | C30 | H24 | H25 | 118.0° | 120.0° |
| C3 | C30 | C31 | H26 | 67.0° | 53.0° |
| C3 | C30 | C31 | H27 | 51.9° | 67.0° |
| C30 | C31 | C32 | N34 | 112.4° | 180.0° |
| C30 | C31 | C32 | H26 | 120.5° | 120.0° |
| C30 | C31 | C32 | H27 | 120.5° | 120.0° |
| C31 | C30 | C3 | C2 | 88.8° | 177.7° |
| C31 | C30 | C3 | H2 | 33.9° | 54.8° |
| C31 | C30 | H24 | H25 | 118.0° | 120.0° |
| C30 | C31 | H26 | H27 | 118.4° | 120.0° |
| C7L | C6L | C01 | C5L | 177.9° | 179.9° |
| C7L | C6L | C5L | C4L | 1.0° | 0.0° |
| C7L | C6L | C01 | C05 | 11.9° | 0.3° |
| C7L | C6L | C01 | N01 | 165.4° | 180.0° |
| C7L | C6L | C5L | H62 | 179.0° | 180.0° |
| C6L | C7L | C8L | H68 | 179.8° | 180.0° |
| C3L | C4L | C5L | C6L | 0.2° | 0.0° |
| C3L | C4L | C5L | H50 | 180.0° | 180.0° |
| C3L | C4L | C5L | H62 | 179.8° | 179.9° |
| C4L | C3L | C8L | H68 | 179.5° | 180.0° |
| N34 | C32 | C31 | H26 | 8.2° | 60.0° |
| N34 | C32 | C31 | H27 | 127.1° | 60.0° |
| C32 | N34 | H83 | H84 | 180.0° | 180.0° |
| C32 | C31 | C30 | H24 | 51.8° | 67.0° |
| C32 | C31 | C30 | H25 | 66.9° | 53.0° |
| C32 | C31 | H26 | H27 | 118.4° | 120.0° |
| C31 | C32 | N34 | H83 | 174.3° | 0.0° |
| C31 | C32 | N34 | H84 | 5.7° | 179.9° |
| C61 | C60 | C18 | H14 | 6.6° | 54.7° |
| C61 | C60 | H64 | H65 | 117.7° | 120.0° |
| C60 | C61 | N63 | H92 | 170.2° | 0.1° |
| C60 | C61 | N63 | H93 | 9.8° | 180.0° |
| N63 | C61 | C60 | H64 | 67.8° | 50.9° |
| N63 | C61 | C60 | H65 | 50.7° | 69.1° |
| C61 | N63 | H92 | H93 | 180.0° | 179.9° |
| C3 | C2 | C25 | C26 | 122.6° | 124.5° |
| C3 | C2 | C26 | C27 | 42.5° | 68.4° |
| C3 | C2 | C25 | H19 | 63.3° | 66.9° |
| C3 | C2 | C25 | H20 | 56.7° | 173.1° |
| C3 | C2 | C25 | H21 | 176.8° | 53.1° |
| C3 | C2 | C26 | H22 | 163.2° | 171.5° |
| C3 | C2 | C26 | H23 | 78.1° | 51.6° |
| C2 | C3 | C30 | H24 | 150.5° | 62.3° |
| C2 | C3 | C30 | H25 | 31.9° | 57.7° |
| C25 | C2 | C26 | C27 | 84.8° | 55.8° |
| C25 | C2 | C3 | H2 | 94.1° | 105.0° |
| 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 | 35.9° | 64.2° |
| C25 | C2 | C26 | H23 | 154.5° | 175.8° |
| C2 | C26 | C27 | H22 | 120.7° | 120.0° |
| C2 | C26 | C27 | H23 | 120.7° | 120.0° |
| C2 | C26 | C27 | O28 | 118.4° | 0.0° |
| C2 | C26 | C27 | N29 | 50.4° | 180.0° |
| C26 | C2 | C3 | H2 | 31.6° | 19.4° |
| C26 | C2 | C25 | H19 | 59.3° | 168.6° |
| C26 | C2 | C25 | H20 | 179.3° | 48.6° |
| C26 | C2 | C25 | H21 | 60.7° | 71.5° |
| C2 | C26 | H22 | H23 | 117.9° | 120.0° |
| C01 | C6L | C5L | C4L | 178.9° | 180.0° |
| C6L | C01 | C05 | N01 | 177.5° | 179.8° |
| C6L | C01 | C05 | N03 | 178.3° | 179.8° |
| C6L | C01 | N01 | N02 | 178.5° | 179.7° |
| C6L | C01 | C05 | H10 | 1.6° | 0.2° |
| C01 | C6L | C5L | H62 | 1.1° | 0.1° |
| C01 | C6L | C7L | H66 | 1.1° | 0.0° |
| C6L | C5L | C4L | H62 | 180.0° | 180.0° |
| C5L | C6L | C01 | C05 | 170.1° | 179.8° |
| C5L | C6L | C01 | N01 | 12.6° | 0.0° |
| C6L | C5L | C4L | H50 | 179.9° | 180.0° |
| C5L | C6L | C7L | H66 | 179.0° | 180.0° |
| C01 | C05 | N03 | H10 | 180.0° | 180.0° |
| C01 | C05 | N03 | C02 | 178.9° | 180.0° |
| C01 | C05 | N03 | N02 | 0.4° | 0.0° |
| C05 | C01 | N01 | N02 | 1.0° | 0.0° |
| N03 | C05 | C01 | N01 | 0.8° | 0.0° |
| C05 | N03 | C02 | N02 | 179.3° | 180.0° |
| C05 | N03 | C02 | C03 | 102.1° | 125.0° |
| C05 | N03 | N02 | N01 | 0.1° | 0.0° |
| C05 | N03 | C02 | H4 | 17.7° | 5.0° |
| C05 | N03 | C02 | H5 | 138.1° | 115.0° |
| C01 | N01 | N02 | N03 | 0.6° | 0.0° |
| N01 | C01 | C05 | H10 | 179.1° | 180.0° |
| C26 | C27 | O28 | N29 | 168.2° | 180.0° |
| C27 | C26 | H22 | H23 | 117.9° | 120.1° |
| C26 | C27 | N29 | H81 | 168.9° | 0.1° |
| C26 | C27 | N29 | H82 | 11.1° | 179.9° |
| N03 | C02 | C03 | H4 | 119.8° | 120.0° |
| N03 | C02 | C03 | H5 | 119.8° | 120.0° |
| C02 | N03 | N02 | N01 | 179.5° | 180.0° |
| N03 | C02 | C03 | C04 | 155.0° | 180.0° |
| N03 | C02 | H4 | H5 | 120.6° | 120.0° |
| N03 | C02 | C03 | H6 | 84.7° | 60.1° |
| N03 | C02 | C03 | H7 | 34.7° | 60.0° |
| C02 | N03 | C05 | H10 | 1.1° | 0.0° |
| N02 | N03 | C02 | C03 | 77.2° | 55.0° |
| N02 | N03 | C02 | H4 | 163.0° | 175.0° |
| N02 | N03 | C02 | H5 | 42.6° | 65.0° |
| N02 | N03 | C05 | H10 | 179.6° | 180.0° |
| C02 | C03 | C04 | H6 | 120.3° | 120.0° |
| C02 | C03 | C04 | H7 | 120.3° | 120.0° |
| C02 | C03 | C04 | N04 | 152.0° | 180.0° |
| C03 | C02 | H4 | H5 | 120.5° | 120.1° |
| C02 | C03 | H6 | H7 | 119.2° | 120.1° |
| C02 | C03 | C04 | H8 | 32.0° | 60.0° |
| C02 | C03 | C04 | H9 | 87.9° | 60.0° |
| O28 | C27 | C26 | H22 | 120.9° | 119.9° |
| O28 | C27 | C26 | H23 | 2.2° | 120.0° |
| O28 | C27 | N29 | H81 | 0.0° | 179.9° |
| O28 | C27 | N29 | H82 | 180.0° | 0.1° |
| N29 | C27 | C26 | H22 | 70.2° | 60.0° |
| N29 | C27 | C26 | H23 | 171.1° | 60.0° |
| C27 | N29 | H81 | H82 | 180.0° | 179.8° |
| C03 | C04 | N04 | H8 | 120.1° | 120.0° |
| C03 | C04 | N04 | H9 | 120.0° | 120.0° |
| C04 | C03 | C02 | H4 | 35.2° | 60.0° |
| C04 | C03 | C02 | H5 | 85.2° | 60.0° |
| C04 | C03 | H6 | H7 | 119.2° | 120.0° |
| C03 | C04 | H8 | H9 | 119.9° | 120.0° |
| C03 | C04 | N04 | H78 | 180.0° | 180.0° |
| C03 | C04 | N04 | H79 | 60.0° | 56.1° |
| N04 | C04 | C03 | H6 | 87.7° | 60.1° |
| N04 | C04 | C03 | H7 | 31.8° | 60.0° |
| N04 | C04 | H8 | H9 | 119.9° | 120.0° |
| C04 | N04 | H78 | H79 | 120.0° | 123.9° |
| H2 | C3 | C30 | H24 | 86.7° | 174.8° |
| H2 | C3 | C30 | H25 | 154.6° | 65.2° |
| H4 | C02 | C03 | H6 | 155.5° | 59.9° |
| H4 | C02 | C03 | H7 | 85.1° | 180.0° |
| H5 | C02 | C03 | H6 | 35.1° | 180.0° |
| H5 | C02 | C03 | H7 | 154.5° | 59.9° |
| H6 | C03 | C04 | H8 | 152.2° | 179.9° |
| H6 | C03 | C04 | H9 | 32.3° | 59.9° |
| H7 | C03 | C04 | H8 | 88.3° | 60.0° |
| H7 | C03 | C04 | H9 | 151.8° | 180.0° |
| H8 | C04 | N04 | H78 | 60.0° | 60.1° |
| H8 | C04 | N04 | H79 | 180.0° | 176.1° |
| H9 | C04 | N04 | H78 | 59.9° | 60.0° |
| H9 | C04 | N04 | H79 | 60.1° | 63.9° |
| H12 | C13 | C48 | H46 | 164.6° | 87.4° |
| H12 | C13 | C48 | H47 | 77.0° | 152.7° |
| H14 | C18 | C19 | H15 | 162.2° | 146.9° |
| H14 | C18 | C60 | H64 | 114.2° | 174.7° |
| H14 | C18 | C60 | H65 | 127.4° | 65.3° |
| H16 | C20 | H17 | H18 | 120.0° | 120.0° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
| H24 | C30 | C31 | H26 | 172.3° | 173.0° |
| H24 | C30 | C31 | H27 | 68.8° | 53.0° |
| H25 | C30 | C31 | H26 | 53.6° | 67.0° |
| H25 | C30 | C31 | H27 | 172.6° | 173.0° |
| H28 | C35 | H29 | H30 | 120.0° | 120.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.1° |
| H36 | C41 | C42 | H38 | 171.3° | 60.6° |
| H36 | C41 | C42 | H39 | 68.7° | 179.4° |
| H36 | C41 | C8 | H67 | 44.3° | 62.4° |
| H37 | C41 | C42 | H38 | 54.5° | 179.5° |
| H37 | C41 | C42 | H39 | 174.4° | 59.5° |
| H37 | C41 | C8 | H67 | 161.1° | 177.6° |
| H40 | C46 | H41 | H42 | 120.0° | 120.0° |
| H43 | C47 | H44 | H45 | 120.1° | 119.9° |
| H46 | C48 | C49 | H48 | 33.6° | 177.1° |
| H46 | C48 | C49 | H49 | 86.4° | 57.0° |
| H47 | C48 | C49 | H48 | 151.9° | 62.9° |
| H47 | C48 | C49 | H49 | 31.9° | 177.1° |
| H50 | C4L | C5L | H62 | 0.1° | 0.0° |
| H52 | C53 | H53 | H54 | 120.0° | 119.9° |
| H55 | C54 | H56 | H57 | 120.0° | 120.1° |
| H58 | C55 | C56 | H60 | 154.0° | 176.0° |
| H58 | C55 | C56 | H61 | 34.8° | 56.0° |
| H59 | C55 | C56 | H60 | 86.4° | 63.9° |
| H59 | C55 | C56 | H61 | 154.4° | 176.1° |
| H66 | C7L | C8L | H68 | 0.2° | 0.3° |
| H72 | CR1 | CR2 | H73 | 28.3° | 2.8° |
| H73 | CR2 | CR3 | H74 | 27.2° | 21.4° |
| H73 | CR2 | OR7 | H96 | 56.6° | 61.2° |
| H74 | CR3 | CR4 | H75 | 138.0° | 160.3° |
| H75 | CR4 | CR5 | H76 | 145.5° | 66.7° |
| H75 | CR4 | CR5 | H77 | 95.3° | 173.3° |
| H76 | CR5 | OR8 | H95 | 59.6° | 67.7° |
| H77 | CR5 | OR8 | H95 | 59.6° | 52.2° |
| H91 | N59 | CPR1 | H13 | 28.0° | 129.4° |
| H91 | N59 | CPR1 | H51 | 146.2° | 110.5° |
| H13 | CPR1 | CPR2 | H1 | 163.6° | 56.6° |
| H51 | CPR1 | CPR2 | H1 | 45.5° | 176.6° |
| H1 | CPR2 | CPR3 | H80 | 58.4° | 60.0° |
| H1 | CPR2 | CPR3 | H63 | 178.4° | 180.0° |
| H1 | CPR2 | CPR3 | H69 | 61.6° | 60.0° |
| H80 | CPR3 | H63 | H69 | 120.0° | 119.9° |
| H99 | CB10 | H97 | H98 | 120.0° | 120.0° |
| H102 | CB11 | H100 | H101 | 120.0° | 120.1° |
