OTI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| O16 | C15 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C12 | C15 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | N09 | sing | 1.46Å | 1.49Å | |
| C15 | O17 | sing | 1.34Å | 1.25Å | |
| O08 | C07 | doub | 1.22Å | 1.23Å | |
| N09 | C07 | sing | 1.34Å | 1.36Å | |
| N09 | C10 | sing | 1.47Å | 1.47Å | |
| C07 | N06 | sing | 1.33Å | 1.37Å | |
| C10 | C01 | sing | 1.54Å | 1.54Å | |
| N06 | C01 | sing | 1.48Å | 1.45Å | |
| N06 | C05 | sing | 1.47Å | 1.42Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.54Å | 1.53Å | |
| C02 | N03 | sing | 1.47Å | 1.44Å | |
| C04 | N03 | sing | 1.47Å | 1.48Å | |
| N03 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | N24 | sing | 1.37Å | 1.40Å | |
| C19 | C20 | doub | 1.35Å | 1.36Å | |
| O39 | C38 | doub | 1.22Å | 1.23Å | |
| N24 | C23 | sing | 1.38Å | 1.39Å | |
| N26 | C27 | sing | 1.31Å | 1.40Å | Aromatic |
| N26 | C25 | doub | 1.31Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.34Å | 1.35Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C20 | sing | 1.41Å | 1.45Å | |
| C38 | O40 | sing | 1.35Å | 1.35Å | |
| C20 | C21 | sing | 1.50Å | 1.56Å | |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C25 | sing | 1.47Å | 1.42Å | |
| C23 | N22 | doub | 1.30Å | 1.27Å | |
| C25 | S29 | sing | 1.76Å | 1.75Å | Aromatic |
| C42 | C41 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | S29 | sing | 1.71Å | 1.73Å | Aromatic |
| O40 | C41 | sing | 1.43Å | 1.40Å | |
| C30 | C21 | sing | 1.51Å | 1.49Å | |
| C30 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | N22 | sing | 1.46Å | 1.50Å | |
| C34 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | F37 | sing | 1.35Å | 1.36Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| O17 | H26 | sing | 0.97Å | 0.95Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| N24 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | C11 | 109.8° | 109.5° |
| C14 | C12 | C15 | 111.6° | 109.5° |
| C14 | C12 | C13 | 109.1° | 109.5° |
| C12 | C14 | H5 | 109.5° | 109.5° |
| C12 | C14 | H6 | 109.5° | 109.5° |
| C12 | C14 | H7 | 109.5° | 109.5° |
| O16 | C15 | C12 | 117.0° | 120.0° |
| O16 | C15 | O17 | 126.6° | 120.0° |
| C11 | C12 | C15 | 105.1° | 109.4° |
| C11 | C12 | C13 | 110.6° | 109.5° |
| C12 | C11 | N09 | 123.4° | 109.4° |
| C12 | C11 | H3 | 105.9° | 109.5° |
| C12 | C11 | H4 | 105.9° | 109.5° |
| C15 | C12 | C13 | 110.7° | 109.5° |
| C12 | C15 | O17 | 116.3° | 120.0° |
| C12 | C13 | H23 | 109.5° | 109.5° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C12 | C13 | H25 | 109.5° | 109.5° |
| C11 | N09 | C07 | 126.0° | 125.4° |
| C11 | N09 | C10 | 125.3° | 125.4° |
| N09 | C11 | H3 | 105.9° | 109.5° |
| N09 | C11 | H4 | 105.9° | 109.5° |
| C15 | O17 | H26 | 109.5° | 117.0° |
| O08 | C07 | N09 | 126.8° | 123.3° |
| O08 | C07 | N06 | 120.5° | 123.2° |
| C07 | N09 | C10 | 108.4° | 109.2° |
| N09 | C07 | N06 | 112.7° | 113.5° |
| N09 | C10 | C01 | 105.0° | 103.8° |
| N09 | C10 | H1 | 110.6° | 110.6° |
| N09 | C10 | H2 | 110.6° | 110.7° |
| C07 | N06 | C01 | 109.9° | 109.1° |
| C07 | N06 | C05 | 134.1° | 128.7° |
| C10 | C01 | N06 | 103.4° | 103.3° |
| C10 | C01 | C02 | 109.8° | 110.8° |
| C01 | C10 | H1 | 110.6° | 110.6° |
| C01 | C10 | H2 | 110.6° | 110.5° |
| C10 | C01 | H15 | 112.7° | 111.5° |
| C01 | N06 | C05 | 114.9° | 122.1° |
| N06 | C01 | C02 | 103.6° | 107.0° |
| N06 | C01 | H15 | 114.1° | 112.4° |
| N06 | C05 | C04 | 105.6° | 107.0° |
| N06 | C05 | H21 | 110.4° | 110.0° |
| N06 | C05 | H22 | 110.4° | 110.0° |
| C01 | C02 | N03 | 115.9° | 108.6° |
| C02 | C01 | H15 | 112.6° | 111.4° |
| C01 | C02 | H16 | 107.8° | 109.6° |
| C01 | C02 | H17 | 107.9° | 109.6° |
| C05 | C04 | N03 | 111.9° | 109.8° |
| C05 | C04 | H19 | 108.8° | 109.4° |
| C05 | C04 | H20 | 108.9° | 109.4° |
| C04 | C05 | H21 | 110.4° | 109.9° |
| C04 | C05 | H22 | 110.5° | 109.9° |
| C02 | N03 | C04 | 110.4° | 112.3° |
| C02 | N03 | C18 | 115.2° | 111.0° |
| N03 | C02 | H16 | 107.9° | 109.6° |
| N03 | C02 | H17 | 107.8° | 109.6° |
| C04 | N03 | C18 | 112.0° | 111.0° |
| N03 | C04 | H19 | 108.8° | 109.4° |
| N03 | C04 | H20 | 108.8° | 109.4° |
| N03 | C18 | C19 | 109.5° | 109.5° |
| N03 | C18 | H8 | 109.5° | 109.5° |
| N03 | C18 | H9 | 109.5° | 109.5° |
| C18 | C19 | N24 | 113.1° | 120.2° |
| C18 | C19 | C20 | 124.5° | 120.1° |
| C19 | C18 | H8 | 109.5° | 109.5° |
| C19 | C18 | H9 | 109.5° | 109.5° |
| N24 | C19 | C20 | 121.0° | 119.7° |
| C19 | N24 | C23 | 120.4° | 119.6° |
| C19 | N24 | H35 | 119.8° | 120.2° |
| C19 | C20 | C38 | 125.9° | 119.5° |
| C19 | C20 | C21 | 118.7° | 121.0° |
| O39 | C38 | C20 | 124.9° | 120.0° |
| O39 | C38 | O40 | 117.8° | 120.0° |
| N24 | C23 | C25 | 113.6° | 119.4° |
| N24 | C23 | N22 | 124.4° | 121.3° |
| C23 | N24 | H35 | 119.8° | 120.2° |
| C27 | N26 | C25 | 112.5° | 115.8° |
| N26 | C27 | C28 | 115.7° | 115.8° |
| N26 | C27 | H10 | 122.2° | 122.1° |
| N26 | C25 | C23 | 127.7° | 125.5° |
| N26 | C25 | S29 | 110.7° | 108.9° |
| C27 | C28 | S29 | 109.0° | 109.1° |
| C28 | C27 | H10 | 122.1° | 122.1° |
| C27 | C28 | H11 | 125.5° | 125.4° |
| C31 | C32 | C33 | 120.9° | 120.0° |
| C32 | C31 | C30 | 123.0° | 120.0° |
| C32 | C31 | H12 | 118.5° | 120.0° |
| C31 | C32 | H13 | 119.5° | 120.0° |
| C32 | C33 | C34 | 114.5° | 120.0° |
| C33 | C32 | H13 | 119.5° | 120.0° |
| C32 | C33 | H14 | 122.8° | 120.0° |
| C20 | C38 | O40 | 117.3° | 120.0° |
| C38 | C20 | C21 | 115.5° | 119.5° |
| C38 | O40 | C41 | 121.0° | 117.0° |
| C20 | C21 | C30 | 110.1° | 109.1° |
| C20 | C21 | N22 | 112.8° | 111.3° |
| C20 | C21 | H18 | 108.5° | 109.1° |
| C31 | C30 | C21 | 119.1° | 120.0° |
| C31 | C30 | C35 | 117.3° | 120.1° |
| C30 | C31 | H12 | 118.5° | 120.0° |
| C25 | C23 | N22 | 121.9° | 119.3° |
| C23 | C25 | S29 | 121.1° | 125.6° |
| C23 | N22 | C21 | 121.7° | 122.7° |
| C25 | S29 | C28 | 92.0° | 90.3° |
| C42 | C41 | O40 | 109.0° | 109.5° |
| C42 | C41 | H30 | 109.6° | 109.5° |
| C42 | C41 | H31 | 109.6° | 109.5° |
| C41 | C42 | H32 | 109.5° | 109.5° |
| C41 | C42 | H33 | 109.5° | 109.4° |
| C41 | C42 | H34 | 109.4° | 109.5° |
| C33 | C34 | C35 | 126.0° | 119.9° |
| C33 | C34 | F37 | 115.8° | 120.0° |
| C34 | C33 | H14 | 122.7° | 120.0° |
| S29 | C28 | H11 | 125.5° | 125.5° |
| O40 | C41 | H30 | 109.6° | 109.5° |
| O40 | C41 | H31 | 109.6° | 109.5° |
| C21 | C30 | C35 | 123.5° | 120.0° |
| C30 | C21 | N22 | 106.5° | 109.1° |
| C30 | C21 | H18 | 109.5° | 109.1° |
| C30 | C35 | C34 | 118.1° | 120.0° |
| C30 | C35 | C36 | 123.0° | 120.0° |
| N22 | C21 | H18 | 109.4° | 109.1° |
| C35 | C34 | F37 | 118.2° | 120.0° |
| C34 | C35 | C36 | 118.9° | 120.0° |
| C35 | C36 | H27 | 109.5° | 109.5° |
| C35 | C36 | H28 | 109.4° | 109.5° |
| C35 | C36 | H29 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 110.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.4° | 109.5° |
| H5 | C14 | H7 | 109.4° | 109.4° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.4° |
| H16 | C02 | H17 | 109.5° | 109.7° |
| H19 | C04 | H20 | 109.5° | 109.4° |
| H21 | C05 | H22 | 109.5° | 110.0° |
| H23 | C13 | H24 | 109.4° | 109.5° |
| H23 | C13 | H25 | 109.5° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H27 | C36 | H29 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.4° |
| H30 | C41 | H31 | 109.5° | 109.5° |
| H32 | C42 | H33 | 109.4° | 109.5° |
| H32 | C42 | H34 | 109.5° | 109.4° |
| H33 | C42 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | C15 | O16 | 67.1° | 120.0° |
| C14 | C12 | C11 | C15 | 120.1° | 120.0° |
| C14 | C12 | C11 | C13 | 120.4° | 120.0° |
| C14 | C12 | C15 | C13 | 121.7° | 120.0° |
| C14 | C12 | C11 | N09 | 173.9° | 60.0° |
| C14 | C12 | C15 | O17 | 115.2° | 60.0° |
| C14 | C12 | C11 | H3 | 64.2° | 60.0° |
| C14 | C12 | C11 | H4 | 52.0° | 179.9° |
| C12 | C14 | H5 | H6 | 120.0° | 120.1° |
| C12 | C14 | H5 | H7 | 120.0° | 120.0° |
| C12 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C12 | C13 | H23 | 180.0° | 60.0° |
| C14 | C12 | C13 | H24 | 60.0° | 180.0° |
| C14 | C12 | C13 | H25 | 60.0° | 60.1° |
| O16 | C15 | C12 | C11 | 51.8° | 0.0° |
| O16 | C15 | C12 | O17 | 177.8° | 180.0° |
| O16 | C15 | C12 | C13 | 171.2° | 120.0° |
| O16 | C15 | O17 | H26 | 0.0° | 0.0° |
| C11 | C12 | C15 | C13 | 119.4° | 120.0° |
| C12 | C11 | N09 | H3 | 121.9° | 120.0° |
| C12 | C11 | N09 | H4 | 121.9° | 120.0° |
| C11 | C12 | C15 | O17 | 126.0° | 180.0° |
| C12 | C11 | N09 | C07 | 141.5° | 90.1° |
| C12 | C11 | N09 | C10 | 45.8° | 90.1° |
| C12 | C11 | H3 | H4 | 113.8° | 120.0° |
| C11 | C12 | C14 | H5 | 180.0° | 59.9° |
| C11 | C12 | C14 | H6 | 60.0° | 180.0° |
| C11 | C12 | C14 | H7 | 60.0° | 60.0° |
| C11 | C12 | C13 | H23 | 59.2° | 180.0° |
| C11 | C12 | C13 | H24 | 60.8° | 60.0° |
| C11 | C12 | C13 | H25 | 179.2° | 60.0° |
| C15 | C12 | C11 | N09 | 66.0° | 180.0° |
| C15 | C12 | C11 | H3 | 55.9° | 60.0° |
| C15 | C12 | C11 | H4 | 172.1° | 60.0° |
| C15 | C12 | C14 | H5 | 64.0° | 60.0° |
| C15 | C12 | C14 | H6 | 176.0° | 60.0° |
| C15 | C12 | C14 | H7 | 56.0° | 179.9° |
| C15 | C12 | C13 | H23 | 56.8° | 60.0° |
| C15 | C12 | C13 | H24 | 176.9° | 60.0° |
| C15 | C12 | C13 | H25 | 63.2° | 179.9° |
| C12 | C15 | O17 | H26 | 177.5° | 180.0° |
| C13 | C12 | C11 | N09 | 53.5° | 60.0° |
| C13 | C12 | C15 | O17 | 6.5° | 60.0° |
| C13 | C12 | C11 | H3 | 175.4° | 180.0° |
| C13 | C12 | C11 | H4 | 68.4° | 60.0° |
| C13 | C12 | C14 | H5 | 58.7° | 180.0° |
| C13 | C12 | C14 | H6 | 61.3° | 60.0° |
| C13 | C12 | C14 | H7 | 178.7° | 60.1° |
| C12 | C13 | H23 | H24 | 120.0° | 120.0° |
| C12 | C13 | H23 | H25 | 120.0° | 120.0° |
| C12 | C13 | H24 | H25 | 120.0° | 120.0° |
| C11 | N09 | C07 | O08 | 6.3° | 4.1° |
| C11 | N09 | C07 | C10 | 173.7° | 179.9° |
| C11 | N09 | C07 | N06 | 174.2° | 176.1° |
| C11 | N09 | C10 | C01 | 179.0° | 177.3° |
| C11 | N09 | C10 | H1 | 61.7° | 58.7° |
| C11 | N09 | C10 | H2 | 59.7° | 64.1° |
| N09 | C11 | H3 | H4 | 113.7° | 120.0° |
| O08 | C07 | N09 | N06 | 179.5° | 179.9° |
| O08 | C07 | N09 | C10 | 180.0° | 176.0° |
| O08 | C07 | N06 | C01 | 174.6° | 170.8° |
| O08 | C07 | N06 | C05 | 7.6° | 12.3° |
| C07 | N09 | C10 | C01 | 5.2° | 2.8° |
| N09 | C07 | N06 | C01 | 4.9° | 9.1° |
| N09 | C07 | N06 | C05 | 171.9° | 167.8° |
| C07 | N09 | C10 | H1 | 124.5° | 121.4° |
| C07 | N09 | C10 | H2 | 114.1° | 115.8° |
| C07 | N09 | C11 | H3 | 96.6° | 149.9° |
| C07 | N09 | C11 | H4 | 19.5° | 29.9° |
| C10 | N09 | C07 | N06 | 0.4° | 3.8° |
| N09 | C10 | C01 | H1 | 119.3° | 118.6° |
| N09 | C10 | C01 | H2 | 119.3° | 118.7° |
| N09 | C10 | C01 | N06 | 7.7° | 7.5° |
| N09 | C10 | C01 | C02 | 102.3° | 121.8° |
| N09 | C10 | H1 | H2 | 122.1° | 122.9° |
| C10 | N09 | C11 | H3 | 76.1° | 29.9° |
| C10 | N09 | C11 | H4 | 167.7° | 150.0° |
| N09 | C10 | C01 | H15 | 131.3° | 113.4° |
| C07 | N06 | C01 | C10 | 7.7° | 10.0° |
| C07 | N06 | C01 | C05 | 169.7° | 177.2° |
| C07 | N06 | C01 | C02 | 106.8° | 127.1° |
| C07 | N06 | C05 | C04 | 99.6° | 128.0° |
| C07 | N06 | C01 | H15 | 130.5° | 110.3° |
| C07 | N06 | C05 | H21 | 141.1° | 8.7° |
| C07 | N06 | C05 | H22 | 19.9° | 112.6° |
| C10 | C01 | N06 | C02 | 114.5° | 117.1° |
| C10 | C01 | N06 | H15 | 122.7° | 120.3° |
| C10 | C01 | N06 | C05 | 177.5° | 167.1° |
| C10 | C01 | C02 | H15 | 126.4° | 124.8° |
| C10 | C01 | C02 | N03 | 163.5° | 164.9° |
| C01 | C10 | H1 | H2 | 122.1° | 122.7° |
| C10 | C01 | C02 | H16 | 42.5° | 45.1° |
| C10 | C01 | C02 | H17 | 75.6° | 75.4° |
| N06 | C01 | C02 | H15 | 123.7° | 123.2° |
| C01 | N06 | C05 | C04 | 66.9° | 48.5° |
| N06 | C01 | C02 | N03 | 53.5° | 52.9° |
| N06 | C01 | C10 | H1 | 127.0° | 126.1° |
| N06 | C01 | C10 | H2 | 111.6° | 111.3° |
| N06 | C01 | C02 | H16 | 67.4° | 66.9° |
| N06 | C01 | C02 | H17 | 174.5° | 172.6° |
| C01 | N06 | C05 | H21 | 52.5° | 167.9° |
| C01 | N06 | C05 | H22 | 173.7° | 70.8° |
| C05 | N06 | C01 | C02 | 62.9° | 50.1° |
| N06 | C05 | C04 | H21 | 119.4° | 119.4° |
| N06 | C05 | C04 | H22 | 119.4° | 119.4° |
| N06 | C05 | C04 | N03 | 58.0° | 50.6° |
| C05 | N06 | C01 | H15 | 59.8° | 72.5° |
| N06 | C05 | C04 | H19 | 178.3° | 69.5° |
| N06 | C05 | C04 | H20 | 62.4° | 170.6° |
| N06 | C05 | H21 | H22 | 121.8° | 121.3° |
| C01 | C02 | N03 | H16 | 120.9° | 119.8° |
| C01 | C02 | N03 | H17 | 120.9° | 119.7° |
| C01 | C02 | N03 | C04 | 51.2° | 64.8° |
| C01 | C02 | N03 | C18 | 179.2° | 170.2° |
| C02 | C01 | C10 | H1 | 17.0° | 119.6° |
| C02 | C01 | C10 | H2 | 138.4° | 3.0° |
| C01 | C02 | H16 | H17 | 117.1° | 120.4° |
| C05 | C04 | N03 | C02 | 52.0° | 63.8° |
| C05 | C04 | N03 | H19 | 120.3° | 120.1° |
| C05 | C04 | N03 | H20 | 120.4° | 120.0° |
| C05 | C04 | N03 | C18 | 178.2° | 171.2° |
| C05 | C04 | H19 | H20 | 118.9° | 119.8° |
| C04 | C05 | H21 | H22 | 121.8° | 121.2° |
| C02 | N03 | C04 | C18 | 129.8° | 124.9° |
| C02 | N03 | C18 | C19 | 164.4° | 170.0° |
| C02 | N03 | C18 | H8 | 75.6° | 69.9° |
| C02 | N03 | C18 | H9 | 44.5° | 50.0° |
| N03 | C02 | C01 | H15 | 70.2° | 70.3° |
| N03 | C02 | H16 | H17 | 117.1° | 120.4° |
| C02 | N03 | C04 | H19 | 172.3° | 56.3° |
| C02 | N03 | C04 | H20 | 68.4° | 176.2° |
| C04 | N03 | C18 | C19 | 68.3° | 64.3° |
| C04 | N03 | C18 | H8 | 51.6° | 55.7° |
| C04 | N03 | C18 | H9 | 171.7° | 175.7° |
| C04 | N03 | C02 | H16 | 69.7° | 54.9° |
| C04 | N03 | C02 | H17 | 172.1° | 175.4° |
| N03 | C04 | H19 | H20 | 118.9° | 119.8° |
| N03 | C04 | C05 | H21 | 61.4° | 170.0° |
| N03 | C04 | C05 | H22 | 177.3° | 68.9° |
| N03 | C18 | C19 | H8 | 120.0° | 120.0° |
| N03 | C18 | C19 | H9 | 120.0° | 120.0° |
| N03 | C18 | C19 | N24 | 33.1° | 64.3° |
| N03 | C18 | C19 | C20 | 160.1° | 115.8° |
| N03 | C18 | H8 | H9 | 120.0° | 120.0° |
| C18 | N03 | C02 | H16 | 58.3° | 70.0° |
| C18 | N03 | C02 | H17 | 59.9° | 50.5° |
| C18 | N03 | C04 | H19 | 57.9° | 68.6° |
| C18 | N03 | C04 | H20 | 61.4° | 51.2° |
| C18 | C19 | N24 | C20 | 167.3° | 179.9° |
| C18 | C19 | N24 | C23 | 169.9° | 162.9° |
| C18 | C19 | C20 | C38 | 4.5° | 0.2° |
| C18 | C19 | C20 | C21 | 175.2° | 179.5° |
| C19 | C18 | H8 | H9 | 120.0° | 120.0° |
| C18 | C19 | N24 | H35 | 10.1° | 17.2° |
| C19 | N24 | C23 | H35 | 180.0° | 180.0° |
| N24 | C19 | C20 | C38 | 170.3° | 179.7° |
| N24 | C19 | C20 | C21 | 9.4° | 0.6° |
| C19 | N24 | C23 | C25 | 178.0° | 162.5° |
| C19 | N24 | C23 | N22 | 1.5° | 17.5° |
| N24 | C19 | C18 | H8 | 153.1° | 175.7° |
| N24 | C19 | C18 | H9 | 86.9° | 55.7° |
| C19 | C20 | C38 | O39 | 7.5° | 99.7° |
| C20 | C19 | N24 | C23 | 2.6° | 17.0° |
| C19 | C20 | C38 | C21 | 179.7° | 179.7° |
| C19 | C20 | C38 | O40 | 173.6° | 80.3° |
| C19 | C20 | C21 | C30 | 106.9° | 104.2° |
| C19 | C20 | C21 | N22 | 11.9° | 16.3° |
| C20 | C19 | C18 | H8 | 40.1° | 4.3° |
| C20 | C19 | C18 | H9 | 79.9° | 124.2° |
| C19 | C20 | C21 | H18 | 133.3° | 136.7° |
| C20 | C19 | N24 | H35 | 177.5° | 162.9° |
| O39 | C38 | C20 | O40 | 178.9° | 180.0° |
| O39 | C38 | C20 | C21 | 172.8° | 80.6° |
| O39 | C38 | O40 | C41 | 5.4° | 5.0° |
| N24 | C23 | C25 | N26 | 11.4° | 0.4° |
| N24 | C23 | C25 | N22 | 176.6° | 180.0° |
| N24 | C23 | C25 | S29 | 160.3° | 180.0° |
| N24 | C23 | N22 | C21 | 2.2° | 0.6° |
| N26 | C27 | C28 | H10 | 180.0° | 180.0° |
| C27 | N26 | C25 | C23 | 175.2° | 180.0° |
| C27 | N26 | C25 | S29 | 2.8° | 0.3° |
| N26 | C27 | C28 | S29 | 0.8° | 0.0° |
| N26 | C27 | C28 | H11 | 179.2° | 179.9° |
| C25 | N26 | C27 | C28 | 2.4° | 0.2° |
| N26 | C25 | C23 | S29 | 171.7° | 179.6° |
| N26 | C25 | C23 | N22 | 172.0° | 179.7° |
| N26 | C25 | S29 | C28 | 2.0° | 0.2° |
| C25 | N26 | C27 | H10 | 177.6° | 179.8° |
| C27 | C28 | S29 | C25 | 0.7° | 0.2° |
| C27 | C28 | S29 | H11 | 180.0° | 179.9° |
| C31 | C32 | C33 | H13 | 180.0° | 180.0° |
| C32 | C31 | C30 | H12 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.6° | 0.0° |
| C32 | C31 | C30 | C21 | 179.6° | 180.0° |
| C32 | C31 | C30 | C35 | 1.8° | 0.2° |
| C31 | C32 | C33 | H14 | 178.4° | 180.0° |
| C33 | C32 | C31 | C30 | 2.3° | 0.0° |
| C32 | C33 | C34 | H14 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.7° | 0.3° |
| C32 | C33 | C34 | F37 | 180.0° | 180.0° |
| C33 | C32 | C31 | H12 | 177.7° | 180.0° |
| C20 | C38 | O40 | C41 | 173.6° | 175.0° |
| C38 | C20 | C21 | C30 | 73.4° | 75.5° |
| C38 | C20 | C21 | N22 | 167.8° | 164.0° |
| C38 | C20 | C21 | H18 | 46.4° | 43.6° |
| O40 | C38 | C20 | C21 | 6.1° | 99.4° |
| C38 | O40 | C41 | C42 | 92.2° | 175.7° |
| C38 | O40 | C41 | H30 | 147.9° | 55.7° |
| C38 | O40 | C41 | H31 | 27.7° | 64.3° |
| C20 | C21 | C30 | C31 | 60.3° | 89.9° |
| C20 | C21 | N22 | C23 | 8.5° | 16.5° |
| C20 | C21 | C30 | N22 | 122.6° | 121.8° |
| C20 | C21 | C30 | H18 | 119.2° | 119.1° |
| C20 | C21 | C30 | C35 | 117.3° | 90.3° |
| C20 | C21 | N22 | H18 | 120.9° | 120.4° |
| C31 | C30 | C21 | C35 | 177.6° | 179.8° |
| C31 | C30 | C21 | N22 | 62.3° | 31.9° |
| C31 | C30 | C35 | C34 | 0.8° | 0.5° |
| C31 | C30 | C35 | C36 | 179.9° | 179.7° |
| C30 | C31 | C32 | H13 | 177.7° | 180.0° |
| C31 | C30 | C21 | H18 | 179.6° | 151.0° |
| C23 | C25 | S29 | C28 | 175.1° | 179.9° |
| C25 | C23 | N22 | C21 | 174.0° | 179.4° |
| C25 | C23 | N24 | H35 | 2.0° | 17.5° |
| N22 | C23 | C25 | S29 | 16.2° | 0.0° |
| C23 | N22 | C21 | C30 | 112.4° | 104.0° |
| C23 | N22 | C21 | H18 | 129.3° | 136.9° |
| N22 | C23 | N24 | H35 | 178.5° | 162.5° |
| C25 | S29 | C28 | H11 | 179.3° | 179.8° |
| C42 | C41 | O40 | H30 | 119.9° | 120.0° |
| C42 | C41 | O40 | H31 | 119.9° | 120.0° |
| C42 | C41 | H30 | H31 | 120.2° | 120.0° |
| C41 | C42 | H32 | H33 | 120.0° | 120.0° |
| C41 | C42 | H32 | H34 | 120.0° | 120.0° |
| C41 | C42 | H33 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | C30 | 0.3° | 0.5° |
| C33 | C34 | C35 | F37 | 179.3° | 179.7° |
| C33 | C34 | C35 | C36 | 179.7° | 179.7° |
| C34 | C33 | C32 | H13 | 178.4° | 180.0° |
| S29 | C28 | C27 | H10 | 179.2° | 180.0° |
| O40 | C41 | H30 | H31 | 120.2° | 120.0° |
| O40 | C41 | C42 | H32 | 180.0° | 64.9° |
| O40 | C41 | C42 | H33 | 60.0° | 175.0° |
| O40 | C41 | C42 | H34 | 60.0° | 55.0° |
| C30 | C21 | N22 | H18 | 118.3° | 119.1° |
| C21 | C30 | C35 | C34 | 178.4° | 179.7° |
| C21 | C30 | C35 | C36 | 2.2° | 0.0° |
| C21 | C30 | C31 | H12 | 0.4° | 0.0° |
| C35 | C30 | C21 | N22 | 120.1° | 147.9° |
| C30 | C35 | C34 | C36 | 179.4° | 179.8° |
| C30 | C35 | C34 | F37 | 179.6° | 179.8° |
| C35 | C30 | C31 | H12 | 178.2° | 179.7° |
| C30 | C35 | C36 | H27 | 89.6° | 86.1° |
| C30 | C35 | C36 | H28 | 150.4° | 153.9° |
| C30 | C35 | C36 | H29 | 30.4° | 34.0° |
| C35 | C30 | C21 | H18 | 1.9° | 28.8° |
| C35 | C34 | C33 | H14 | 179.3° | 179.7° |
| C34 | C35 | C36 | H27 | 89.7° | 94.2° |
| C34 | C35 | C36 | H28 | 30.3° | 25.8° |
| C34 | C35 | C36 | H29 | 150.3° | 145.8° |
| F37 | C34 | C35 | C36 | 1.1° | 0.1° |
| F37 | C34 | C33 | H14 | 0.0° | 0.0° |
| C35 | C36 | H27 | H28 | 120.0° | 120.0° |
| C35 | C36 | H27 | H29 | 120.0° | 120.1° |
| C35 | C36 | H28 | H29 | 120.0° | 120.0° |
| H1 | C10 | C01 | H15 | 109.4° | 5.2° |
| H2 | C10 | C01 | H15 | 12.0° | 127.8° |
| H5 | C14 | H6 | H7 | 119.9° | 119.9° |
| H10 | C27 | C28 | H11 | 0.8° | 0.1° |
| H12 | C31 | C32 | H13 | 2.3° | 0.0° |
| H13 | C32 | C33 | H14 | 1.6° | 0.0° |
| H15 | C01 | C02 | H16 | 168.9° | 169.9° |
| H15 | C01 | C02 | H17 | 50.7° | 49.4° |
| H19 | C04 | C05 | H21 | 58.9° | 49.8° |
| H19 | C04 | C05 | H22 | 62.3° | 171.0° |
| H20 | C04 | C05 | H21 | 178.2° | 70.0° |
| H20 | C04 | C05 | H22 | 57.0° | 51.2° |
| H23 | C13 | H24 | H25 | 120.0° | 120.0° |
| H27 | C36 | H28 | H29 | 120.0° | 119.9° |
| H30 | C41 | C42 | H32 | 60.1° | 55.0° |
| H30 | C41 | C42 | H33 | 59.9° | 65.0° |
| H30 | C41 | C42 | H34 | 179.9° | 175.0° |
| H31 | C41 | C42 | H32 | 60.1° | 175.1° |
| H31 | C41 | C42 | H33 | 179.9° | 55.0° |
| H31 | C41 | C42 | H34 | 59.9° | 64.9° |
| H32 | C42 | H33 | H34 | 120.0° | 120.0° |
