B94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.45Å | |
| C2 | C4 | sing | 1.51Å | 1.47Å | |
| O3 | C2 | doub | 1.21Å | 1.23Å | |
| C4 | N9 | sing | 1.46Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.57Å | |
| C5 | C6 | sing | 1.51Å | 1.45Å | |
| C6 | O7 | sing | 1.34Å | 1.23Å | |
| O8 | C6 | doub | 1.21Å | 1.22Å | |
| N9 | C10 | sing | 1.35Å | 1.30Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | C12 | sing | 1.51Å | 1.46Å | |
| C12 | N30 | sing | 1.47Å | 1.45Å | |
| C13 | C12 | sing | 1.51Å | 1.46Å | |
| C13 | C14 | doub | 1.31Å | 1.34Å | |
| C14 | C15 | sing | 1.51Å | 1.46Å | |
| C15 | N29 | sing | 1.47Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| N29 | C40 | sing | 1.33Å | 1.35Å | |
| N30 | N29 | sing | 1.42Å | 1.30Å | |
| N30 | C31 | sing | 1.33Å | 1.35Å | |
| C31 | N33 | sing | 1.35Å | 1.35Å | |
| O32 | C31 | doub | 1.22Å | 1.25Å | |
| N33 | C40 | sing | 1.35Å | 1.35Å | |
| N33 | C34 | sing | 1.47Å | 1.43Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.51Å | 1.45Å | |
| C37 | O39 | sing | 1.34Å | 1.23Å | |
| O38 | C37 | doub | 1.21Å | 1.22Å | |
| C40 | O41 | doub | 1.21Å | 1.25Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | N5 | sing | 1.46Å | 1.39Å | |
| N5 | C19 | sing | 1.35Å | 1.30Å | |
| C19 | C20 | sing | 1.51Å | 1.46Å | |
| C19 | O9 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | CL1 | sing | 1.74Å | 1.69Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C4 | 122.0° | 120.0° |
| C1 | C2 | O3 | 116.6° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.4° |
| C4 | C2 | O3 | 121.5° | 120.0° |
| C2 | C4 | N9 | 110.3° | 109.5° |
| C2 | C4 | C5 | 111.0° | 109.5° |
| C2 | C4 | H4 | 108.5° | 109.4° |
| N9 | C4 | C5 | 111.4° | 109.5° |
| C4 | N9 | C10 | 128.2° | 120.0° |
| N9 | C4 | H4 | 108.1° | 109.5° |
| C4 | N9 | HN9 | 115.9° | 120.0° |
| C4 | C5 | C6 | 115.1° | 109.5° |
| C5 | C4 | H4 | 107.3° | 109.5° |
| C4 | C5 | H5 | 107.6° | 109.5° |
| C4 | C5 | H5A | 107.6° | 109.5° |
| C5 | C6 | O7 | 120.3° | 120.0° |
| C5 | C6 | O8 | 121.1° | 120.0° |
| C6 | C5 | H5 | 107.6° | 109.5° |
| C6 | C5 | H5A | 107.6° | 109.5° |
| O7 | C6 | O8 | 118.6° | 120.0° |
| C6 | O7 | HO7 | 109.5° | 117.0° |
| N9 | C10 | O11 | 121.7° | 120.0° |
| N9 | C10 | C12 | 119.8° | 120.0° |
| C10 | N9 | HN9 | 115.9° | 120.0° |
| O11 | C10 | C12 | 118.5° | 120.0° |
| C10 | C12 | N30 | 110.9° | 109.8° |
| C10 | C12 | C13 | 110.0° | 109.9° |
| C10 | C12 | H12 | 109.2° | 109.9° |
| N30 | C12 | C13 | 112.4° | 107.5° |
| C12 | N30 | N29 | 124.6° | 120.9° |
| C12 | N30 | C31 | 127.3° | 131.9° |
| N30 | C12 | H12 | 106.7° | 109.8° |
| C12 | C13 | C14 | 123.0° | 122.4° |
| C13 | C12 | H12 | 107.6° | 109.9° |
| C12 | C13 | H13 | 118.5° | 118.8° |
| C13 | C14 | C15 | 123.0° | 122.3° |
| C14 | C13 | H13 | 118.5° | 118.8° |
| C13 | C14 | H14 | 118.5° | 118.8° |
| C14 | C15 | N29 | 112.4° | 107.5° |
| C14 | C15 | C16 | 110.1° | 109.9° |
| C15 | C14 | H14 | 118.5° | 118.8° |
| C14 | C15 | H15 | 107.4° | 109.9° |
| N29 | C15 | C16 | 110.6° | 109.8° |
| C15 | N29 | C40 | 127.3° | 131.9° |
| C15 | N29 | N30 | 124.2° | 120.9° |
| N29 | C15 | H15 | 106.9° | 109.8° |
| C15 | C16 | C18 | 114.2° | 109.5° |
| C16 | C15 | H15 | 109.3° | 109.9° |
| C15 | C16 | H16 | 107.9° | 109.5° |
| C15 | C16 | H16A | 107.9° | 109.5° |
| C40 | N29 | N30 | 108.4° | 107.2° |
| N29 | C40 | N33 | 108.5° | 108.2° |
| N29 | C40 | O41 | 126.1° | 125.9° |
| N29 | N30 | C31 | 108.1° | 107.2° |
| N30 | C31 | N33 | 108.8° | 108.2° |
| N30 | C31 | O32 | 125.8° | 125.9° |
| N33 | C31 | O32 | 125.5° | 125.9° |
| C31 | N33 | C40 | 106.1° | 109.3° |
| C31 | N33 | C34 | 126.8° | 125.3° |
| C40 | N33 | C34 | 127.0° | 125.4° |
| N33 | C40 | O41 | 125.4° | 125.9° |
| N33 | C34 | C35 | 110.7° | 109.4° |
| N33 | C34 | H34 | 109.0° | 109.5° |
| N33 | C34 | H34A | 109.0° | 109.5° |
| C34 | C35 | C36 | 112.7° | 109.4° |
| C35 | C34 | H34 | 109.0° | 109.5° |
| C35 | C34 | H34A | 109.0° | 109.5° |
| C34 | C35 | H35 | 108.4° | 109.5° |
| C34 | C35 | H35A | 108.4° | 109.5° |
| C35 | C36 | C37 | 112.1° | 109.4° |
| C36 | C35 | H35 | 108.4° | 109.5° |
| C36 | C35 | H35A | 108.4° | 109.5° |
| C35 | C36 | H36 | 108.6° | 109.5° |
| C35 | C36 | H36A | 108.6° | 109.5° |
| C36 | C37 | O39 | 121.2° | 120.0° |
| C36 | C37 | O38 | 120.9° | 120.0° |
| C37 | C36 | H36 | 108.6° | 109.5° |
| C37 | C36 | H36A | 108.6° | 109.4° |
| O39 | C37 | O38 | 117.8° | 120.0° |
| C37 | O39 | HO39 | 109.5° | 117.0° |
| C16 | C18 | N5 | 110.1° | 109.5° |
| C18 | C16 | H16 | 107.9° | 109.4° |
| C18 | C16 | H16A | 107.9° | 109.5° |
| C16 | C18 | H22 | 109.3° | 109.5° |
| C16 | C18 | H23 | 109.3° | 109.5° |
| C18 | N5 | C19 | 125.8° | 120.0° |
| N5 | C18 | H22 | 109.3° | 109.5° |
| N5 | C18 | H23 | 109.3° | 109.5° |
| C18 | N5 | H24 | 117.1° | 120.0° |
| N5 | C19 | C20 | 122.8° | 120.0° |
| N5 | C19 | O9 | 117.0° | 120.0° |
| C19 | N5 | H24 | 117.1° | 120.0° |
| C20 | C19 | O9 | 120.2° | 120.0° |
| C19 | C20 | C21 | 116.7° | 109.5° |
| C19 | C20 | H25 | 107.1° | 109.5° |
| C19 | C20 | H26 | 107.1° | 109.5° |
| C20 | C21 | C22 | 124.1° | 120.0° |
| C20 | C21 | C26 | 118.2° | 120.0° |
| C21 | C20 | H25 | 107.1° | 109.5° |
| C21 | C20 | H26 | 107.1° | 109.4° |
| C22 | C21 | C26 | 117.7° | 120.0° |
| C21 | C22 | C23 | 121.3° | 120.0° |
| C21 | C22 | H27 | 119.3° | 120.0° |
| C21 | C26 | C25 | 121.3° | 120.0° |
| C21 | C26 | H30 | 119.4° | 120.0° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | H27 | 119.4° | 120.0° |
| C22 | C23 | H28 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.6° | 120.0° |
| C23 | C24 | CL1 | 120.2° | 120.0° |
| C24 | C23 | H28 | 120.0° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C25 | C24 | CL1 | 120.2° | 120.0° |
| C24 | C25 | H29 | 119.9° | 120.0° |
| C26 | C25 | H29 | 119.9° | 120.0° |
| C25 | C26 | H30 | 119.4° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H5 | C5 | H5A | 111.3° | 109.4° |
| H16 | C16 | H16A | 111.0° | 109.5° |
| H34 | C34 | H34A | 109.9° | 109.5° |
| H35 | C35 | H35A | 110.5° | 109.5° |
| H36 | C36 | H36A | 110.3° | 109.5° |
| H22 | C18 | H23 | 109.7° | 109.4° |
| H25 | C20 | H26 | 111.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C4 | O3 | 179.0° | 180.0° |
| C1 | C2 | C4 | N9 | 170.8° | 165.0° |
| C1 | C2 | C4 | C5 | 65.1° | 75.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 119.9° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C4 | H4 | 52.6° | 45.0° |
| C2 | C4 | N9 | C5 | 123.8° | 120.0° |
| C2 | C4 | N9 | H4 | 118.5° | 120.0° |
| C2 | C4 | C5 | H4 | 118.4° | 120.0° |
| C2 | C4 | C5 | C6 | 174.5° | 175.0° |
| C2 | C4 | N9 | C10 | 156.1° | 85.0° |
| C4 | C2 | C1 | H1 | 179.1° | 59.9° |
| C4 | C2 | C1 | H1A | 60.9° | 180.0° |
| C4 | C2 | C1 | H1B | 59.1° | 59.9° |
| C2 | C4 | C5 | H5 | 65.6° | 65.0° |
| C2 | C4 | C5 | H5A | 54.4° | 55.0° |
| C2 | C4 | N9 | HN9 | 24.0° | 95.0° |
| O3 | C2 | C4 | N9 | 10.1° | 15.0° |
| O3 | C2 | C4 | C5 | 113.9° | 105.0° |
| O3 | C2 | C1 | H1 | 0.0° | 120.1° |
| O3 | C2 | C1 | H1A | 120.0° | 0.0° |
| O3 | C2 | C1 | H1B | 120.0° | 120.0° |
| O3 | C2 | C4 | H4 | 128.4° | 135.0° |
| N9 | C4 | C5 | H4 | 118.2° | 120.0° |
| N9 | C4 | C5 | C6 | 62.2° | 65.0° |
| C4 | N9 | C10 | HN9 | 180.0° | 180.0° |
| C4 | N9 | C10 | O11 | 11.8° | 0.1° |
| C4 | N9 | C10 | C12 | 169.1° | 180.0° |
| N9 | C4 | C5 | H5 | 57.8° | 55.0° |
| N9 | C4 | C5 | H5A | 177.8° | 175.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.1° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | C6 | O7 | 64.4° | 180.0° |
| C4 | C5 | C6 | O8 | 116.2° | 0.0° |
| C5 | C4 | N9 | C10 | 80.2° | 155.0° |
| C4 | C5 | H5 | H5A | 117.7° | 120.0° |
| C5 | C4 | N9 | HN9 | 99.8° | 25.0° |
| C5 | C6 | O7 | O8 | 179.5° | 180.0° |
| C6 | C5 | C4 | H4 | 56.0° | 55.0° |
| C6 | C5 | H5 | H5A | 117.7° | 119.9° |
| C5 | C6 | O7 | HO7 | 179.5° | 180.0° |
| O7 | C6 | C5 | H5 | 175.7° | 59.9° |
| O7 | C6 | C5 | H5A | 55.6° | 60.0° |
| O8 | C6 | C5 | H5 | 3.8° | 120.0° |
| O8 | C6 | C5 | H5A | 123.8° | 120.1° |
| O8 | C6 | O7 | HO7 | 0.0° | 0.0° |
| N9 | C10 | O11 | C12 | 179.1° | 179.9° |
| N9 | C10 | C12 | N30 | 67.5° | 180.0° |
| N9 | C10 | C12 | C13 | 57.3° | 62.0° |
| C10 | N9 | C4 | H4 | 37.5° | 35.0° |
| N9 | C10 | C12 | H12 | 175.2° | 59.0° |
| O11 | C10 | C12 | N30 | 111.6° | 0.1° |
| O11 | C10 | C12 | C13 | 123.6° | 118.1° |
| O11 | C10 | N9 | HN9 | 168.2° | 180.0° |
| O11 | C10 | C12 | H12 | 5.7° | 120.9° |
| C10 | C12 | N30 | C13 | 123.5° | 119.5° |
| C10 | C12 | N30 | H12 | 118.8° | 121.0° |
| C10 | C12 | C13 | H12 | 118.8° | 121.0° |
| C10 | C12 | C13 | C14 | 125.3° | 152.6° |
| C10 | C12 | N30 | N29 | 124.6° | 152.1° |
| C10 | C12 | N30 | C31 | 57.5° | 28.0° |
| C12 | C10 | N9 | HN9 | 10.8° | 0.1° |
| C10 | C12 | C13 | H13 | 54.7° | 27.3° |
| N30 | C12 | C13 | H12 | 117.1° | 119.5° |
| N30 | C12 | C13 | C14 | 1.3° | 33.1° |
| C12 | N30 | N29 | C15 | 3.8° | 0.0° |
| C12 | N30 | N29 | C40 | 179.0° | 180.0° |
| C12 | N30 | N29 | C31 | 178.2° | 180.0° |
| C12 | N30 | C31 | N33 | 180.0° | 180.0° |
| C12 | N30 | C31 | O32 | 0.7° | 0.0° |
| N30 | C12 | C13 | H13 | 178.7° | 146.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 3.4° | 0.1° |
| C13 | C12 | N30 | N29 | 1.1° | 32.6° |
| C13 | C12 | N30 | C31 | 179.0° | 147.5° |
| C12 | C13 | C14 | H14 | 176.6° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | N29 | 7.6° | 33.2° |
| C13 | C14 | C15 | C16 | 116.2° | 86.3° |
| C14 | C13 | C12 | H12 | 115.9° | 86.4° |
| C13 | C14 | C15 | H15 | 124.9° | 152.7° |
| C14 | C15 | N29 | C16 | 123.5° | 119.5° |
| C14 | C15 | N29 | H15 | 117.6° | 119.5° |
| C14 | C15 | C16 | H15 | 117.7° | 121.0° |
| C14 | C15 | N29 | C40 | 175.5° | 147.4° |
| C14 | C15 | N29 | N30 | 7.8° | 32.6° |
| C14 | C15 | C16 | C18 | 65.3° | 175.0° |
| C15 | C14 | C13 | H13 | 176.6° | 180.0° |
| C14 | C15 | C16 | H16 | 174.7° | 55.0° |
| C14 | C15 | C16 | H16A | 54.7° | 65.0° |
| N29 | C15 | C16 | H15 | 117.5° | 121.0° |
| C15 | N29 | C40 | N30 | 177.1° | 180.0° |
| C15 | N29 | N30 | C31 | 174.4° | 180.0° |
| C15 | N29 | C40 | N33 | 174.3° | 180.0° |
| C15 | N29 | C40 | O41 | 3.9° | 0.0° |
| N29 | C15 | C16 | C18 | 59.5° | 67.0° |
| N29 | C15 | C14 | H14 | 172.4° | 146.9° |
| N29 | C15 | C16 | H16 | 60.5° | 173.1° |
| N29 | C15 | C16 | H16A | 179.5° | 53.0° |
| C16 | C15 | N29 | C40 | 61.0° | 93.1° |
| C16 | C15 | N29 | N30 | 115.6° | 86.9° |
| C15 | C16 | C18 | H16 | 120.0° | 120.0° |
| C15 | C16 | C18 | H16A | 120.0° | 120.0° |
| C15 | C16 | C18 | N5 | 170.9° | 180.0° |
| C16 | C15 | C14 | H14 | 63.8° | 93.6° |
| C15 | C16 | H16 | H16A | 118.0° | 120.0° |
| C15 | C16 | C18 | H22 | 69.1° | 60.0° |
| C15 | C16 | C18 | H23 | 50.9° | 59.9° |
| C40 | N29 | N30 | C31 | 2.8° | 0.0° |
| N29 | C40 | N33 | C31 | 1.6° | 0.0° |
| N29 | C40 | N33 | O41 | 178.2° | 180.0° |
| N29 | C40 | N33 | C34 | 176.2° | 180.0° |
| C40 | N29 | C15 | H15 | 57.9° | 27.9° |
| N29 | N30 | C31 | N33 | 1.9° | 0.0° |
| N29 | N30 | C31 | O32 | 177.4° | 180.0° |
| N30 | N29 | C40 | N33 | 2.8° | 0.0° |
| N30 | N29 | C40 | O41 | 179.0° | 180.0° |
| N29 | N30 | C12 | H12 | 116.6° | 87.0° |
| N30 | N29 | C15 | H15 | 125.4° | 152.0° |
| N30 | C31 | N33 | O32 | 179.3° | 180.0° |
| N30 | C31 | N33 | C40 | 0.1° | 0.0° |
| N30 | C31 | N33 | C34 | 178.0° | 180.0° |
| C31 | N30 | C12 | H12 | 61.3° | 93.0° |
| C31 | N33 | C40 | C34 | 177.8° | 180.0° |
| C31 | N33 | C34 | C35 | 85.0° | 90.0° |
| C31 | N33 | C40 | O41 | 179.8° | 180.0° |
| C31 | N33 | C34 | H34 | 35.0° | 150.0° |
| C31 | N33 | C34 | H34A | 155.0° | 30.0° |
| O32 | C31 | N33 | C40 | 179.2° | 180.0° |
| O32 | C31 | N33 | C34 | 1.3° | 0.0° |
| C40 | N33 | C34 | C35 | 92.4° | 90.0° |
| C40 | N33 | C34 | H34 | 147.6° | 30.0° |
| C40 | N33 | C34 | H34A | 27.6° | 150.0° |
| N33 | C34 | C35 | H34 | 120.0° | 120.0° |
| N33 | C34 | C35 | H34A | 120.0° | 120.0° |
| N33 | C34 | C35 | C36 | 176.2° | 180.0° |
| C34 | N33 | C40 | O41 | 2.0° | 0.0° |
| N33 | C34 | H34 | H34A | 119.5° | 120.0° |
| N33 | C34 | C35 | H35 | 63.7° | 60.0° |
| N33 | C34 | C35 | H35A | 56.3° | 60.0° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 120.0° | 120.0° |
| C34 | C35 | C36 | C37 | 177.3° | 180.0° |
| C35 | C34 | H34 | H34A | 119.5° | 120.0° |
| C34 | C35 | H35 | H35A | 118.7° | 120.0° |
| C34 | C35 | C36 | H36 | 62.6° | 60.0° |
| C34 | C35 | C36 | H36A | 57.4° | 60.0° |
| C35 | C36 | C37 | H36 | 120.0° | 120.0° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | C37 | O39 | 80.0° | 180.0° |
| C35 | C36 | C37 | O38 | 99.4° | 0.0° |
| C36 | C35 | C34 | H34 | 56.3° | 60.0° |
| C36 | C35 | C34 | H34A | 63.8° | 60.1° |
| C36 | C35 | H35 | H35A | 118.7° | 120.0° |
| C35 | C36 | H36 | H36A | 118.9° | 120.0° |
| C36 | C37 | O39 | O38 | 179.4° | 180.0° |
| C37 | C36 | C35 | H35 | 57.3° | 60.0° |
| C37 | C36 | C35 | H35A | 62.7° | 60.1° |
| C37 | C36 | H36 | H36A | 119.0° | 120.0° |
| C36 | C37 | O39 | HO39 | 179.5° | 180.0° |
| O39 | C37 | C36 | H36 | 160.0° | 60.0° |
| O39 | C37 | C36 | H36A | 39.9° | 60.0° |
| O38 | C37 | C36 | H36 | 20.6° | 120.0° |
| O38 | C37 | C36 | H36A | 140.6° | 120.0° |
| O38 | C37 | O39 | HO39 | 0.0° | 0.0° |
| C16 | C18 | N5 | H22 | 120.0° | 120.0° |
| C16 | C18 | N5 | H23 | 120.0° | 120.1° |
| C16 | C18 | N5 | C19 | 160.5° | 180.0° |
| C18 | C16 | C15 | H15 | 177.0° | 54.0° |
| C18 | C16 | H16 | H16A | 118.0° | 120.0° |
| C16 | C18 | H22 | H23 | 119.7° | 120.0° |
| C16 | C18 | N5 | H24 | 19.5° | 0.0° |
| C18 | N5 | C19 | H24 | 180.0° | 180.0° |
| C18 | N5 | C19 | C20 | 59.8° | 180.0° |
| C18 | N5 | C19 | O9 | 124.1° | 0.0° |
| N5 | C18 | C16 | H16 | 50.9° | 60.0° |
| N5 | C18 | C16 | H16A | 69.1° | 60.0° |
| N5 | C18 | H22 | H23 | 119.8° | 120.0° |
| N5 | C19 | C20 | O9 | 175.9° | 180.0° |
| N5 | C19 | C20 | C21 | 58.9° | 180.0° |
| C19 | N5 | C18 | H22 | 40.5° | 60.0° |
| C19 | N5 | C18 | H23 | 79.5° | 60.0° |
| N5 | C19 | C20 | H25 | 61.1° | 59.9° |
| N5 | C19 | C20 | H26 | 178.9° | 60.1° |
| C19 | C20 | C21 | H25 | 120.0° | 120.1° |
| C19 | C20 | C21 | H26 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 7.9° | 90.0° |
| C19 | C20 | C21 | C26 | 172.9° | 90.3° |
| C20 | C19 | N5 | H24 | 120.2° | 0.0° |
| C19 | C20 | H25 | H26 | 117.0° | 120.0° |
| O9 | C19 | C20 | C21 | 117.0° | 0.0° |
| O9 | C19 | N5 | H24 | 55.9° | 180.0° |
| O9 | C19 | C20 | H25 | 123.0° | 120.0° |
| O9 | C19 | C20 | H26 | 2.9° | 120.0° |
| C20 | C21 | C22 | C26 | 179.2° | 179.7° |
| C20 | C21 | C22 | C23 | 179.5° | 180.0° |
| C20 | C21 | C26 | C25 | 179.9° | 179.7° |
| C21 | C20 | H25 | H26 | 117.0° | 119.9° |
| C20 | C21 | C22 | H27 | 0.5° | 0.0° |
| C20 | C21 | C26 | H30 | 0.1° | 0.0° |
| C21 | C22 | C23 | H27 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.6° |
| C22 | C21 | C20 | H25 | 127.9° | 30.0° |
| C22 | C21 | C20 | H26 | 112.1° | 150.0° |
| C21 | C22 | C23 | H28 | 179.1° | 180.0° |
| C22 | C21 | C26 | H30 | 179.4° | 179.7° |
| C26 | C21 | C22 | C23 | 1.3° | 0.3° |
| C21 | C26 | C25 | C24 | 0.3° | 0.5° |
| C21 | C26 | C25 | H30 | 180.0° | 179.7° |
| C26 | C21 | C20 | H25 | 52.9° | 149.7° |
| C26 | C21 | C20 | H26 | 67.1° | 29.7° |
| C26 | C21 | C22 | H27 | 178.8° | 179.8° |
| C21 | C26 | C25 | H29 | 179.7° | 179.8° |
| C22 | C23 | C24 | H28 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | CL1 | 179.8° | 180.0° |
| C23 | C24 | C25 | CL1 | 179.7° | 180.0° |
| C23 | C24 | C25 | C26 | 0.7° | 0.2° |
| C24 | C23 | C22 | H27 | 179.1° | 179.9° |
| C23 | C24 | C25 | H29 | 179.3° | 179.9° |
| C24 | C25 | C26 | H29 | 180.0° | 179.7° |
| C25 | C24 | C23 | H28 | 179.9° | 180.0° |
| C24 | C25 | C26 | H30 | 179.7° | 179.7° |
| C26 | C25 | C24 | CL1 | 179.6° | 179.7° |
| CL1 | C24 | C23 | H28 | 0.2° | 0.0° |
| CL1 | C24 | C25 | H29 | 0.4° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 176.0° | 175.1° |
| H4 | C4 | C5 | H5A | 64.0° | 65.0° |
| H4 | C4 | N9 | HN9 | 142.5° | 145.0° |
| H12 | C12 | C13 | H13 | 64.1° | 93.7° |
| H13 | C13 | C14 | H14 | 3.4° | 0.1° |
| H14 | C14 | C15 | H15 | 55.1° | 27.4° |
| H15 | C15 | C16 | H16 | 57.0° | 66.0° |
| H15 | C15 | C16 | H16A | 63.1° | 174.0° |
| H16 | C16 | C18 | H22 | 170.9° | 180.0° |
| H16 | C16 | C18 | H23 | 69.1° | 60.1° |
| H16A | C16 | C18 | H22 | 50.9° | 60.0° |
| H16A | C16 | C18 | H23 | 170.9° | 180.0° |
| H34 | C34 | C35 | H35 | 176.3° | NaN° |
| H34 | C34 | C35 | H35A | 63.7° | 60.0° |
| H34A | C34 | C35 | H35 | 56.2° | 60.0° |
| H34A | C34 | C35 | H35A | 176.2° | 180.0° |
| H35 | C35 | C36 | H36 | 177.4° | 180.0° |
| H35 | C35 | C36 | H36A | 62.7° | 60.0° |
| H35A | C35 | C36 | H36 | 57.3° | 60.0° |
| H35A | C35 | C36 | H36A | 177.3° | 180.0° |
| H22 | C18 | N5 | H24 | 139.5° | 120.0° |
| H23 | C18 | N5 | H24 | 100.5° | 120.0° |
| H27 | C22 | C23 | H28 | 0.9° | 0.0° |
| H29 | C25 | C26 | H30 | 0.3° | 0.0° |
