I9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | O39 | sing | 1.43Å | 1.47Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| O39 | C40 | sing | 1.43Å | 1.47Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.51Å | 1.55Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C37 | N36 | sing | 1.47Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| N36 | C41 | sing | 1.47Å | 1.38Å | |
| N36 | C34 | sing | 1.39Å | 1.46Å | |
| C29 | C34 | doub | 1.40Å | 1.45Å | Aromatic |
| C29 | C28 | sing | 1.36Å | 1.37Å | Aromatic |
| C34 | N35 | sing | 1.32Å | 1.33Å | Aromatic |
| C33 | C28 | sing | 1.50Å | 1.53Å | |
| C28 | C27 | doub | 1.42Å | 1.45Å | Aromatic |
| N35 | C26 | doub | 1.34Å | 1.34Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C23 | sing | 1.47Å | 1.48Å | Aromatic |
| C26 | S25 | sing | 1.76Å | 1.73Å | Aromatic |
| C23 | N22 | doub | 1.35Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| N22 | N21 | sing | 1.28Å | 1.32Å | Aromatic |
| S25 | C24 | sing | 1.75Å | 1.71Å | Aromatic |
| N21 | N20 | doub | 1.28Å | 1.33Å | Aromatic |
| C24 | C19 | doub | 1.41Å | 1.44Å | Aromatic |
| N20 | C19 | sing | 1.33Å | 1.33Å | Aromatic |
| C19 | N16 | sing | 1.39Å | 1.46Å | |
| O11 | C10 | doub | 1.21Å | 1.27Å | |
| O12 | C10 | sing | 1.34Å | 1.28Å | |
| C10 | C07 | sing | 1.51Å | 1.52Å | |
| N16 | C15 | sing | 1.47Å | 1.50Å | |
| N16 | C17 | sing | 1.47Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.47Å | 1.41Å | |
| O06 | C07 | sing | 1.43Å | 1.44Å | |
| O06 | C05 | sing | 1.43Å | 1.47Å | |
| C07 | C08 | sing | 1.53Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N13 | sing | 1.47Å | 1.43Å | |
| N13 | C05 | sing | 1.47Å | 1.49Å | |
| C05 | C03 | sing | 1.53Å | 1.53Å | |
| C08 | O09 | sing | 1.43Å | 1.41Å | |
| C08 | C02 | sing | 1.53Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | O04 | sing | 1.43Å | 1.40Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| O01 | H31 | sing | 0.97Å | 0.95Å | |
| O04 | H32 | sing | 0.97Å | 0.95Å | |
| O09 | H33 | sing | 0.97Å | 0.95Å | |
| O12 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C38 | C37 | 109.4° | 109.3° |
| C38 | O39 | C40 | 110.8° | 113.7° |
| O39 | C38 | H24 | 109.5° | 109.5° |
| O39 | C38 | H25 | 109.5° | 109.5° |
| C38 | C37 | N36 | 107.6° | 109.3° |
| C38 | C37 | H22 | 109.9° | 109.5° |
| C38 | C37 | H23 | 109.9° | 109.5° |
| C37 | C38 | H24 | 109.5° | 109.5° |
| C37 | C38 | H25 | 109.5° | 109.6° |
| O39 | C40 | C41 | 114.9° | 109.2° |
| O39 | C40 | H26 | 108.1° | 109.5° |
| O39 | C40 | H27 | 108.1° | 109.6° |
| C30 | C31 | C32 | 112.7° | 108.4° |
| C31 | C30 | C29 | 114.4° | 110.5° |
| C31 | C30 | H14 | 108.2° | 109.3° |
| C31 | C30 | H15 | 108.3° | 109.2° |
| C30 | C31 | H16 | 108.7° | 109.6° |
| C30 | C31 | H17 | 108.6° | 109.6° |
| C31 | C32 | C33 | 113.7° | 108.5° |
| C32 | C31 | H16 | 108.6° | 109.6° |
| C32 | C31 | H17 | 108.7° | 109.7° |
| C31 | C32 | H18 | 108.4° | 109.7° |
| C31 | C32 | H19 | 108.4° | 109.7° |
| C30 | C29 | C34 | 119.1° | 118.2° |
| C30 | C29 | C28 | 121.3° | 122.7° |
| C29 | C30 | H14 | 108.2° | 109.3° |
| C29 | C30 | H15 | 108.2° | 109.3° |
| C40 | C41 | N36 | 110.0° | 109.3° |
| C41 | C40 | H26 | 108.1° | 109.5° |
| C41 | C40 | H27 | 108.1° | 109.5° |
| C40 | C41 | H28 | 109.3° | 109.5° |
| C40 | C41 | H29 | 109.3° | 109.5° |
| C37 | N36 | C41 | 120.2° | 110.8° |
| C37 | N36 | C34 | 120.5° | 111.0° |
| N36 | C37 | H22 | 109.9° | 109.5° |
| N36 | C37 | H23 | 109.9° | 109.6° |
| C32 | C33 | C28 | 115.3° | 110.5° |
| C33 | C32 | H18 | 108.4° | 109.5° |
| C33 | C32 | H19 | 108.4° | 109.7° |
| C32 | C33 | H20 | 108.0° | 109.3° |
| C32 | C33 | H21 | 108.0° | 109.3° |
| C41 | N36 | C34 | 113.1° | 111.0° |
| N36 | C41 | H28 | 109.3° | 109.6° |
| N36 | C41 | H29 | 109.4° | 109.5° |
| N36 | C34 | C29 | 123.8° | 119.5° |
| N36 | C34 | N35 | 116.2° | 119.4° |
| C34 | C29 | C28 | 119.5° | 119.1° |
| C29 | C34 | N35 | 120.0° | 121.2° |
| C29 | C28 | C33 | 122.5° | 123.1° |
| C29 | C28 | C27 | 118.9° | 119.1° |
| C34 | N35 | C26 | 121.4° | 121.9° |
| C33 | C28 | C27 | 118.6° | 117.8° |
| C28 | C33 | H20 | 108.0° | 109.1° |
| C28 | C33 | H21 | 108.0° | 109.4° |
| C28 | C27 | C26 | 117.4° | 119.0° |
| C28 | C27 | C23 | 128.8° | 128.2° |
| N35 | C26 | C27 | 122.9° | 119.8° |
| N35 | C26 | S25 | 129.8° | 129.5° |
| C26 | C27 | C23 | 113.8° | 112.8° |
| C27 | C26 | S25 | 107.3° | 110.6° |
| C27 | C23 | N22 | 128.1° | 129.4° |
| C27 | C23 | C24 | 113.0° | 112.8° |
| C26 | S25 | C24 | 98.1° | 92.9° |
| N22 | C23 | C24 | 118.9° | 117.9° |
| C23 | N22 | N21 | 121.9° | 121.3° |
| C23 | C24 | S25 | 107.7° | 110.9° |
| C23 | C24 | C19 | 116.6° | 117.9° |
| N22 | N21 | N20 | 121.9° | 123.4° |
| S25 | C24 | C19 | 135.7° | 131.2° |
| N21 | N20 | C19 | 121.2° | 121.2° |
| C24 | C19 | N20 | 119.6° | 118.3° |
| C24 | C19 | N16 | 119.3° | 120.8° |
| N20 | C19 | N16 | 121.1° | 120.9° |
| C19 | N16 | C15 | 121.6° | 111.0° |
| C19 | N16 | C17 | 120.0° | 111.0° |
| O11 | C10 | O12 | 122.0° | 120.0° |
| O11 | C10 | C07 | 117.7° | 120.0° |
| O12 | C10 | C07 | 120.3° | 120.0° |
| C10 | O12 | H34 | 109.5° | 117.0° |
| C10 | C07 | O06 | 106.5° | 109.5° |
| C10 | C07 | C08 | 110.6° | 109.5° |
| C10 | C07 | H4 | 109.2° | 109.5° |
| C15 | N16 | C17 | 109.6° | 110.9° |
| N16 | C15 | C14 | 112.5° | 109.3° |
| N16 | C15 | H8 | 108.7° | 109.5° |
| N16 | C15 | H9 | 108.7° | 109.5° |
| N16 | C17 | C18 | 111.1° | 109.4° |
| N16 | C17 | H10 | 109.1° | 109.5° |
| N16 | C17 | H11 | 109.1° | 109.5° |
| C15 | C14 | N13 | 108.1° | 109.4° |
| C15 | C14 | H6 | 109.8° | 109.4° |
| C15 | C14 | H7 | 109.8° | 109.5° |
| C14 | C15 | H8 | 108.7° | 109.4° |
| C14 | C15 | H9 | 108.7° | 109.5° |
| C14 | N13 | C18 | 112.6° | 110.9° |
| C14 | N13 | C05 | 108.8° | 111.1° |
| N13 | C14 | H6 | 109.8° | 109.5° |
| N13 | C14 | H7 | 109.8° | 109.5° |
| C07 | O06 | C05 | 118.8° | 114.1° |
| O06 | C07 | C08 | 110.4° | 109.4° |
| O06 | C07 | H4 | 110.3° | 109.5° |
| O06 | C05 | N13 | 102.4° | 109.5° |
| O06 | C05 | C03 | 117.2° | 109.4° |
| O06 | C05 | H3 | 108.6° | 109.5° |
| C07 | C08 | O09 | 110.0° | 109.5° |
| C07 | C08 | C02 | 108.9° | 109.2° |
| C08 | C07 | H4 | 109.9° | 109.5° |
| C07 | C08 | H5 | 108.2° | 109.6° |
| C17 | C18 | N13 | 112.5° | 109.4° |
| C18 | C17 | H10 | 109.0° | 109.5° |
| C18 | C17 | H11 | 109.1° | 109.5° |
| C17 | C18 | H12 | 108.7° | 109.5° |
| C17 | C18 | H13 | 108.7° | 109.5° |
| C18 | N13 | C05 | 109.6° | 111.0° |
| N13 | C18 | H12 | 108.7° | 109.5° |
| N13 | C18 | H13 | 108.7° | 109.5° |
| N13 | C05 | C03 | 112.0° | 109.5° |
| N13 | C05 | H3 | 108.4° | 109.5° |
| C05 | C03 | C02 | 115.7° | 109.2° |
| C05 | C03 | O04 | 104.9° | 109.5° |
| C05 | C03 | H2 | 108.1° | 109.6° |
| C03 | C05 | H3 | 107.9° | 109.5° |
| O09 | C08 | C02 | 112.3° | 109.6° |
| O09 | C08 | H5 | 109.1° | 109.5° |
| C08 | O09 | H33 | 109.5° | 114.0° |
| C08 | C02 | C03 | 109.9° | 109.1° |
| C08 | C02 | O01 | 112.5° | 109.6° |
| C08 | C02 | H1 | 108.7° | 109.6° |
| C02 | C08 | H5 | 108.3° | 109.5° |
| C02 | C03 | O04 | 110.0° | 109.5° |
| C03 | C02 | O01 | 107.9° | 109.5° |
| C03 | C02 | H1 | 108.1° | 109.6° |
| C02 | C03 | H2 | 108.3° | 109.5° |
| O04 | C03 | H2 | 109.9° | 109.5° |
| C03 | O04 | H32 | 109.5° | 114.0° |
| O01 | C02 | H1 | 109.7° | 109.5° |
| C02 | O01 | H31 | 109.5° | 114.0° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.2° |
| H16 | C31 | H17 | 109.5° | 109.8° |
| H18 | C32 | H19 | 109.5° | 109.7° |
| H20 | C33 | H21 | 109.5° | 109.2° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H24 | C38 | H25 | 109.5° | 109.6° |
| H26 | C40 | H27 | 109.5° | 109.5° |
| H28 | C41 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C38 | C37 | H24 | 120.0° | 119.9° |
| O39 | C38 | C37 | H25 | 120.0° | 119.9° |
| C38 | O39 | C40 | C41 | 47.6° | 58.7° |
| O39 | C38 | C37 | N36 | 59.6° | 56.8° |
| O39 | C38 | C37 | H22 | 60.1° | 63.1° |
| O39 | C38 | C37 | H23 | 179.3° | 176.9° |
| O39 | C38 | H24 | H25 | 120.0° | 120.1° |
| C38 | O39 | C40 | H26 | 73.2° | 178.6° |
| C38 | O39 | C40 | H27 | 168.5° | 61.3° |
| C37 | C38 | O39 | C40 | 56.3° | 58.7° |
| C38 | C37 | N36 | H22 | 119.7° | 119.9° |
| C38 | C37 | N36 | H23 | 119.7° | 120.0° |
| C38 | C37 | N36 | C41 | 59.0° | 58.5° |
| C38 | C37 | N36 | C34 | 150.4° | 177.6° |
| C38 | C37 | H22 | H23 | 120.9° | 120.1° |
| C37 | C38 | H24 | H25 | 120.1° | 120.2° |
| O39 | C40 | C41 | H26 | 120.8° | 119.9° |
| O39 | C40 | C41 | H27 | 120.8° | 120.0° |
| O39 | C40 | C41 | N36 | 40.8° | 56.8° |
| C40 | O39 | C38 | H24 | 176.3° | 61.2° |
| C40 | O39 | C38 | H25 | 63.7° | 178.7° |
| O39 | C40 | H26 | H27 | 117.5° | 120.2° |
| O39 | C40 | C41 | H28 | 160.9° | 176.8° |
| O39 | C40 | C41 | H29 | 79.3° | 63.2° |
| C30 | C31 | C32 | H16 | 120.5° | 119.7° |
| C30 | C31 | C32 | H17 | 120.5° | 119.7° |
| C31 | C30 | C29 | H14 | 120.7° | 120.3° |
| C31 | C30 | C29 | H15 | 120.7° | 120.2° |
| C30 | C31 | C32 | C33 | 52.5° | 69.1° |
| C31 | C30 | C29 | C34 | 165.0° | 162.4° |
| C31 | C30 | C29 | C28 | 15.2° | 18.2° |
| C31 | C30 | H14 | H15 | 117.8° | 119.4° |
| C30 | C31 | H16 | H17 | 118.5° | 120.5° |
| C30 | C31 | C32 | H18 | 173.1° | 50.5° |
| C30 | C31 | C32 | H19 | 68.1° | 171.1° |
| C32 | C31 | C30 | C29 | 40.4° | 50.9° |
| C31 | C32 | C33 | H18 | 120.6° | 119.7° |
| C31 | C32 | C33 | H19 | 120.7° | 119.8° |
| C31 | C32 | C33 | C28 | 38.0° | 50.5° |
| C32 | C31 | C30 | H14 | 80.3° | 69.4° |
| C32 | C31 | C30 | H15 | 161.1° | 171.2° |
| C32 | C31 | H16 | H17 | 118.5° | 120.6° |
| C31 | C32 | H18 | H19 | 118.1° | 120.5° |
| C31 | C32 | C33 | H20 | 82.8° | 69.6° |
| C31 | C32 | C33 | H21 | 158.9° | 171.0° |
| C30 | C29 | C34 | N36 | 0.6° | 0.9° |
| C30 | C29 | C34 | C28 | 179.7° | 179.4° |
| C30 | C29 | C34 | N35 | 178.6° | 179.3° |
| C30 | C29 | C28 | C33 | 0.8° | 1.3° |
| C30 | C29 | C28 | C27 | 179.1° | 179.0° |
| C29 | C30 | H14 | H15 | 117.7° | 119.6° |
| C29 | C30 | C31 | H16 | 80.1° | 170.6° |
| C29 | C30 | C31 | H17 | 160.9° | 68.8° |
| C40 | C41 | N36 | C37 | 48.9° | 58.6° |
| C40 | C41 | N36 | H28 | 120.1° | 120.0° |
| C40 | C41 | N36 | H29 | 120.1° | 120.0° |
| C40 | C41 | N36 | C34 | 158.5° | 177.6° |
| C41 | C40 | H26 | H27 | 117.5° | 120.0° |
| C40 | C41 | H28 | H29 | 119.7° | 120.0° |
| C37 | N36 | C41 | C34 | 152.6° | 123.9° |
| C37 | N36 | C34 | C29 | 62.8° | 118.0° |
| C37 | N36 | C34 | N35 | 119.1° | 62.2° |
| N36 | C37 | H22 | H23 | 120.9° | 120.1° |
| N36 | C37 | C38 | H24 | 179.6° | 63.1° |
| N36 | C37 | C38 | H25 | 60.4° | 176.7° |
| C37 | N36 | C41 | H28 | 169.0° | 178.5° |
| C37 | N36 | C41 | H29 | 71.2° | 61.4° |
| C32 | C33 | C28 | C29 | 12.4° | 17.8° |
| C32 | C33 | C28 | H20 | 120.8° | 120.2° |
| C32 | C33 | C28 | H21 | 120.9° | 120.4° |
| C32 | C33 | C28 | C27 | 167.6° | 162.4° |
| C33 | C32 | C31 | H16 | 68.0° | 171.2° |
| C33 | C32 | C31 | H17 | 173.0° | 50.6° |
| C33 | C32 | H18 | H19 | 118.1° | 120.5° |
| C32 | C33 | H20 | H21 | 117.3° | 119.5° |
| C41 | N36 | C34 | C29 | 144.7° | 118.3° |
| C41 | N36 | C34 | N35 | 33.4° | 61.5° |
| C41 | N36 | C37 | H22 | 60.7° | 61.3° |
| C41 | N36 | C37 | H23 | 178.7° | 178.6° |
| N36 | C41 | C40 | H26 | 80.0° | 176.8° |
| N36 | C41 | C40 | H27 | 161.7° | 63.2° |
| N36 | C41 | H28 | H29 | 119.8° | 120.1° |
| N36 | C34 | C29 | N35 | 178.0° | 179.8° |
| N36 | C34 | C29 | C28 | 179.2° | 179.6° |
| N36 | C34 | N35 | C26 | 179.4° | 179.8° |
| C34 | N36 | C37 | H22 | 89.9° | 62.5° |
| C34 | N36 | C37 | H23 | 30.7° | 57.6° |
| C34 | N36 | C41 | H28 | 38.4° | 57.6° |
| C34 | N36 | C41 | H29 | 81.4° | 62.4° |
| C34 | C29 | C28 | C33 | 179.4° | 179.3° |
| C34 | C29 | C28 | C27 | 0.6° | 0.5° |
| C29 | C34 | N35 | C26 | 1.2° | 0.4° |
| C34 | C29 | C30 | H14 | 74.3° | 77.4° |
| C34 | C29 | C30 | H15 | 44.3° | 42.1° |
| C28 | C29 | C34 | N35 | 1.2° | 0.1° |
| C29 | C28 | C33 | C27 | 179.9° | 179.7° |
| C29 | C28 | C27 | C26 | 0.2° | 0.2° |
| C29 | C28 | C27 | C23 | 179.8° | 179.4° |
| C28 | C29 | C30 | H14 | 105.5° | 102.0° |
| C28 | C29 | C30 | H15 | 136.0° | 138.5° |
| C29 | C28 | C33 | H20 | 108.5° | 102.4° |
| C29 | C28 | C33 | H21 | 133.2° | 138.2° |
| C34 | N35 | C26 | C27 | 0.8° | 0.7° |
| C34 | N35 | C26 | S25 | 179.4° | 179.6° |
| C33 | C28 | C27 | C26 | 179.9° | 179.5° |
| C33 | C28 | C27 | C23 | 0.2° | 0.8° |
| C28 | C33 | C32 | H18 | 158.6° | 69.2° |
| C28 | C33 | C32 | H19 | 82.6° | 170.3° |
| C28 | C33 | H20 | H21 | 117.3° | 119.5° |
| C28 | C27 | C26 | N35 | 0.3° | 0.3° |
| C28 | C27 | C26 | C23 | 180.0° | 179.7° |
| C28 | C27 | C26 | S25 | 179.9° | 179.9° |
| C28 | C27 | C23 | N22 | 0.4° | 0.3° |
| C28 | C27 | C23 | C24 | 179.6° | 179.9° |
| C27 | C28 | C33 | H20 | 71.6° | 77.3° |
| C27 | C28 | C33 | H21 | 46.7° | 42.0° |
| N35 | C26 | C27 | S25 | 179.8° | 179.7° |
| N35 | C26 | C27 | C23 | 179.7° | 180.0° |
| N35 | C26 | S25 | C24 | 179.9° | 179.9° |
| C26 | C27 | C23 | N22 | 179.6° | 179.9° |
| C26 | C27 | C23 | C24 | 0.4° | 0.2° |
| C27 | C26 | S25 | C24 | 0.2° | 0.2° |
| C23 | C27 | C26 | S25 | 0.1° | 0.2° |
| C27 | C23 | N22 | C24 | 179.2° | 179.8° |
| C27 | C23 | N22 | N21 | 179.5° | 179.9° |
| C27 | C23 | C24 | S25 | 0.5° | 0.1° |
| C27 | C23 | C24 | C19 | 179.6° | 179.9° |
| C26 | S25 | C24 | C23 | 0.4° | 0.0° |
| C26 | S25 | C24 | C19 | 179.7° | 179.9° |
| N22 | C23 | C24 | S25 | 179.8° | 180.0° |
| C23 | N22 | N21 | N20 | 0.2° | 0.3° |
| N22 | C23 | C24 | C19 | 0.2° | 0.1° |
| C24 | C23 | N22 | N21 | 0.3° | 0.3° |
| C23 | C24 | S25 | C19 | 179.9° | 180.0° |
| C23 | C24 | C19 | N20 | 0.3° | 0.2° |
| C23 | C24 | C19 | N16 | 179.5° | 180.0° |
| N22 | N21 | N20 | C19 | 0.7° | 0.0° |
| S25 | C24 | C19 | N20 | 179.7° | 179.8° |
| S25 | C24 | C19 | N16 | 0.5° | 0.0° |
| N21 | N20 | C19 | C24 | 0.8° | 0.2° |
| N21 | N20 | C19 | N16 | 179.0° | 180.0° |
| C24 | C19 | N20 | N16 | 179.8° | 179.8° |
| C24 | C19 | N16 | C15 | 43.1° | 180.0° |
| C24 | C19 | N16 | C17 | 172.8° | 56.3° |
| N20 | C19 | N16 | C15 | 137.1° | 0.2° |
| N20 | C19 | N16 | C17 | 7.0° | 123.5° |
| C19 | N16 | C15 | C17 | 147.3° | 123.8° |
| C19 | N16 | C15 | C14 | 93.2° | 176.8° |
| C19 | N16 | C17 | C18 | 98.9° | 176.9° |
| C19 | N16 | C15 | H8 | 27.2° | 57.0° |
| C19 | N16 | C15 | H9 | 146.3° | 63.1° |
| C19 | N16 | C17 | H10 | 140.8° | 63.2° |
| C19 | N16 | C17 | H11 | 21.3° | 56.8° |
| O11 | C10 | O12 | C07 | 179.6° | 180.0° |
| O11 | C10 | C07 | O06 | 35.3° | 5.0° |
| O11 | C10 | C07 | C08 | 84.6° | 115.0° |
| O11 | C10 | C07 | H4 | 154.4° | 124.9° |
| O11 | C10 | O12 | H34 | 0.0° | 0.0° |
| O12 | C10 | C07 | O06 | 144.3° | 175.1° |
| O12 | C10 | C07 | C08 | 95.8° | 65.0° |
| O12 | C10 | C07 | H4 | 25.2° | 55.1° |
| C10 | C07 | O06 | C08 | 120.0° | 120.0° |
| C10 | C07 | O06 | H4 | 118.4° | 120.0° |
| C10 | C07 | O06 | C05 | 161.0° | 178.8° |
| C10 | C07 | C08 | H4 | 120.6° | 120.1° |
| C10 | C07 | C08 | O09 | 51.9° | 62.5° |
| C10 | C07 | C08 | C02 | 175.4° | 177.5° |
| C10 | C07 | C08 | H5 | 67.1° | 57.6° |
| C07 | C10 | O12 | H34 | 179.6° | 179.9° |
| N16 | C15 | C14 | H8 | 120.4° | 119.9° |
| N16 | C15 | C14 | H9 | 120.5° | 120.0° |
| N16 | C15 | C14 | N13 | 59.3° | 58.5° |
| C15 | N16 | C17 | C18 | 49.0° | 59.3° |
| N16 | C15 | C14 | H6 | 60.5° | 178.4° |
| N16 | C15 | C14 | H7 | 179.1° | 61.6° |
| N16 | C15 | H8 | H9 | 118.6° | 120.1° |
| C15 | N16 | C17 | H10 | 71.3° | 60.6° |
| C15 | N16 | C17 | H11 | 169.2° | 179.4° |
| C17 | N16 | C15 | C14 | 54.1° | 59.4° |
| N16 | C17 | C18 | H10 | 120.3° | 119.9° |
| N16 | C17 | C18 | H11 | 120.3° | 120.0° |
| N16 | C17 | C18 | N13 | 51.7° | 58.4° |
| C17 | N16 | C15 | H8 | 174.5° | 179.2° |
| C17 | N16 | C15 | H9 | 66.4° | 60.7° |
| N16 | C17 | H10 | H11 | 119.3° | 120.1° |
| N16 | C17 | C18 | H12 | 172.2° | 61.6° |
| N16 | C17 | C18 | H13 | 68.7° | 178.4° |
| C15 | C14 | N13 | H6 | 119.8° | 119.9° |
| C15 | C14 | N13 | H7 | 119.8° | 120.0° |
| C15 | C14 | N13 | C18 | 60.9° | 59.3° |
| C15 | C14 | N13 | C05 | 177.4° | 64.5° |
| C15 | C14 | H6 | H7 | 120.6° | 120.0° |
| C14 | C15 | H8 | H9 | 118.6° | 120.1° |
| C14 | N13 | C05 | O06 | 55.2° | 170.6° |
| C14 | N13 | C18 | C17 | 58.9° | 59.3° |
| C14 | N13 | C18 | C05 | 121.2° | 123.9° |
| C14 | N13 | C05 | C03 | 178.4° | 69.4° |
| C14 | N13 | C05 | H3 | 59.5° | 50.6° |
| N13 | C14 | H6 | H7 | 120.6° | 120.1° |
| N13 | C14 | C15 | H8 | 179.8° | 178.4° |
| N13 | C14 | C15 | H9 | 61.1° | 61.6° |
| C14 | N13 | C18 | H12 | 179.4° | 60.6° |
| C14 | N13 | C18 | H13 | 61.6° | 179.3° |
| O06 | C07 | C08 | H4 | 121.8° | 120.0° |
| C07 | O06 | C05 | N13 | 137.7° | 178.8° |
| C07 | O06 | C05 | C03 | 14.7° | 61.2° |
| O06 | C07 | C08 | O09 | 169.5° | 177.5° |
| O06 | C07 | C08 | C02 | 67.1° | 57.6° |
| C07 | O06 | C05 | H3 | 107.7° | 58.8° |
| O06 | C07 | C08 | H5 | 50.4° | 62.4° |
| C05 | O06 | C07 | C08 | 40.9° | 61.2° |
| O06 | C05 | N13 | C18 | 68.2° | 46.8° |
| O06 | C05 | N13 | C03 | 126.4° | 120.0° |
| O06 | C05 | N13 | H3 | 114.7° | 120.0° |
| O06 | C05 | C03 | H3 | 122.9° | 120.0° |
| O06 | C05 | C03 | C02 | 13.0° | 57.6° |
| O06 | C05 | C03 | O04 | 134.3° | 177.5° |
| O06 | C05 | C03 | H2 | 108.5° | 62.3° |
| C05 | O06 | C07 | H4 | 80.7° | 58.8° |
| C07 | C08 | O09 | C02 | 121.5° | 119.7° |
| C07 | C08 | O09 | H5 | 118.5° | 120.1° |
| C07 | C08 | C02 | H5 | 117.5° | 120.0° |
| C07 | C08 | C02 | C03 | 65.1° | 57.0° |
| C07 | C08 | C02 | O01 | 174.7° | 176.8° |
| C07 | C08 | C02 | H1 | 53.0° | 63.0° |
| C07 | C08 | O09 | H33 | 180.0° | 60.0° |
| C17 | C18 | N13 | H12 | 120.5° | 120.0° |
| C17 | C18 | N13 | H13 | 120.5° | 120.0° |
| C17 | C18 | N13 | C05 | 179.9° | 64.6° |
| C18 | C17 | H10 | H11 | 119.2° | 120.1° |
| C17 | C18 | H12 | H13 | 118.6° | 120.0° |
| C18 | N13 | C05 | C03 | 58.2° | 166.8° |
| C18 | N13 | C05 | H3 | 177.1° | 73.2° |
| C18 | N13 | C14 | H6 | 58.9° | 179.3° |
| C18 | N13 | C14 | H7 | 179.3° | 60.7° |
| N13 | C18 | C17 | H10 | 68.5° | 61.5° |
| N13 | C18 | C17 | H11 | 172.0° | 178.4° |
| N13 | C18 | H12 | H13 | 118.6° | 120.1° |
| N13 | C05 | C03 | H3 | 119.2° | 120.0° |
| N13 | C05 | C03 | C02 | 130.9° | 177.6° |
| N13 | C05 | C03 | O04 | 107.8° | 62.4° |
| N13 | C05 | C03 | H2 | 9.4° | 57.7° |
| C05 | N13 | C14 | H6 | 62.8° | 55.4° |
| C05 | N13 | C14 | H7 | 57.6° | 175.5° |
| C05 | N13 | C18 | H12 | 59.5° | 175.4° |
| C05 | N13 | C18 | H13 | 59.6° | 55.4° |
| C05 | C03 | C02 | C08 | 37.8° | 56.9° |
| C05 | C03 | C02 | O04 | 118.5° | 119.9° |
| C05 | C03 | C02 | H2 | 121.4° | 120.0° |
| C05 | C03 | O04 | H2 | 115.9° | 120.2° |
| C05 | C03 | C02 | O01 | 160.7° | 176.8° |
| C05 | C03 | C02 | H1 | 80.7° | 63.0° |
| C05 | C03 | O04 | H32 | 180.0° | 179.7° |
| O09 | C08 | C02 | H5 | 120.5° | 120.1° |
| O09 | C08 | C02 | C03 | 172.8° | 176.9° |
| O09 | C08 | C02 | O01 | 52.7° | 63.2° |
| O09 | C08 | C02 | H1 | 69.1° | 57.0° |
| O09 | C08 | C07 | H4 | 68.7° | 57.6° |
| C08 | C02 | C03 | O01 | 122.9° | 119.9° |
| C08 | C02 | C03 | H1 | 118.5° | 119.9° |
| C08 | C02 | C03 | O04 | 156.4° | 176.8° |
| C08 | C02 | O01 | H1 | 121.2° | 120.2° |
| C08 | C02 | C03 | H2 | 83.6° | 63.0° |
| C02 | C08 | C07 | H4 | 54.8° | 62.4° |
| C08 | C02 | O01 | H31 | 180.0° | 60.2° |
| C02 | C08 | O09 | H33 | 58.6° | 179.7° |
| C02 | C03 | O04 | H2 | 119.1° | 120.1° |
| C03 | C02 | O01 | H1 | 117.6° | 120.2° |
| C02 | C03 | C05 | H3 | 109.9° | 62.4° |
| C03 | C02 | C08 | H5 | 52.3° | 63.0° |
| C03 | C02 | O01 | H31 | 58.7° | 179.8° |
| C02 | C03 | O04 | H32 | 55.0° | 60.0° |
| O04 | C03 | C02 | O01 | 80.8° | 63.2° |
| O04 | C03 | C02 | H1 | 37.8° | 56.9° |
| O04 | C03 | C05 | H3 | 11.4° | 57.5° |
| O01 | C02 | C03 | H2 | 39.3° | 56.9° |
| O01 | C02 | C08 | H5 | 67.8° | 56.9° |
| H1 | C02 | C03 | H2 | 157.9° | 177.0° |
| H1 | C02 | C08 | H5 | 170.5° | 177.1° |
| H1 | C02 | O01 | H31 | 58.9° | 60.0° |
| H2 | C03 | C05 | H3 | 128.6° | 177.7° |
| H2 | C03 | O04 | H32 | 64.1° | 60.1° |
| H4 | C07 | C08 | H5 | 172.2° | 177.6° |
| H5 | C08 | O09 | H33 | 61.4° | 60.2° |
| H6 | C14 | C15 | H8 | 60.0° | 61.7° |
| H6 | C14 | C15 | H9 | 179.0° | 58.4° |
| H7 | C14 | C15 | H8 | 60.4° | 58.3° |
| H7 | C14 | C15 | H9 | 58.7° | 178.4° |
| H10 | C17 | C18 | H12 | 52.0° | 178.5° |
| H10 | C17 | C18 | H13 | 171.0° | 58.5° |
| H11 | C17 | C18 | H12 | 67.5° | 58.5° |
| H11 | C17 | C18 | H13 | 51.5° | 61.6° |
| H14 | C30 | C31 | H16 | 159.2° | 50.3° |
| H14 | C30 | C31 | H17 | 40.1° | 170.9° |
| H15 | C30 | C31 | H16 | 40.6° | 69.2° |
| H15 | C30 | C31 | H17 | 78.4° | 51.5° |
| H16 | C31 | C32 | H18 | 52.6° | 69.2° |
| H16 | C31 | C32 | H19 | 171.4° | 51.4° |
| H17 | C31 | C32 | H18 | 66.4° | 170.2° |
| H17 | C31 | C32 | H19 | 52.3° | 69.3° |
| H18 | C32 | C33 | H20 | 37.8° | 170.7° |
| H18 | C32 | C33 | H21 | 80.5° | 51.2° |
| H19 | C32 | C33 | H20 | 156.5° | 50.2° |
| H19 | C32 | C33 | H21 | 38.2° | 69.2° |
| H22 | C37 | C38 | H24 | 59.9° | 177.0° |
| H22 | C37 | C38 | H25 | 179.9° | 56.8° |
| H23 | C37 | C38 | H24 | 60.7° | 56.9° |
| H23 | C37 | C38 | H25 | 59.3° | 63.2° |
| H26 | C40 | C41 | H28 | 40.1° | 63.2° |
| H26 | C40 | C41 | H29 | 159.9° | 56.8° |
| H27 | C40 | C41 | H28 | 78.3° | 56.8° |
| H27 | C40 | C41 | H29 | 41.5° | 176.8° |
