BUV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C11 | doub | 1.31Å | 1.31Å | Aromatic |
| N12 | N13 | sing | 1.28Å | 1.36Å | Aromatic |
| C11 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
| N13 | N14 | doub | 1.29Å | 1.30Å | Aromatic |
| N8 | N14 | sing | 1.41Å | 1.36Å | Aromatic |
| N8 | C7 | sing | 1.40Å | 1.43Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.55Å | 1.51Å | |
| C21 | N17 | sing | 1.48Å | 1.46Å | |
| C20 | C19 | sing | 1.55Å | 1.54Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| O29 | C22 | doub | 1.21Å | 1.23Å | |
| C19 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.54Å | 1.56Å | |
| C6 | C9 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| N17 | C15 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | doub | 1.35Å | 1.31Å | |
| C10 | C15 | sing | 1.46Å | 1.48Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | CL1 | sing | 1.74Å | 1.75Å | |
| C22 | C18 | sing | 1.51Å | 1.53Å | |
| C22 | N30 | sing | 1.35Å | 1.36Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N30 | C31 | sing | 1.39Å | 1.42Å | |
| C31 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| O39 | C37 | sing | 1.35Å | 1.31Å | |
| C34 | C37 | sing | 1.48Å | 1.50Å | |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | O38 | doub | 1.22Å | 1.24Å | |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C24 | H52 | sing | 1.08Å | 1.08Å | |
| C11 | H45 | sing | 1.08Å | 1.08Å | |
| C27 | H55 | sing | 1.08Å | 1.08Å | |
| C33 | H59 | sing | 1.08Å | 1.08Å | |
| C2 | H40 | sing | 1.08Å | 1.08Å | |
| C3 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | H42 | sing | 1.08Å | 1.08Å | |
| C9 | H43 | sing | 1.08Å | 1.08Å | |
| C10 | H44 | sing | 1.08Å | 1.08Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C26 | H54 | sing | 1.08Å | 1.08Å | |
| C28 | H56 | sing | 1.08Å | 1.08Å | |
| N30 | H57 | sing | 0.97Å | 1.00Å | |
| C32 | H58 | sing | 1.08Å | 1.08Å | |
| C35 | H60 | sing | 1.08Å | 1.08Å | |
| C36 | H61 | sing | 1.08Å | 1.08Å | |
| O39 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N12 | N13 | 105.6° | 110.7° |
| N12 | C11 | N8 | 109.7° | 107.2° |
| N12 | C11 | H45 | 125.1° | 126.3° |
| N12 | N13 | N14 | 110.9° | 110.2° |
| C11 | N8 | N14 | 107.4° | 105.2° |
| C11 | N8 | C7 | 131.7° | 127.4° |
| N8 | C11 | H45 | 125.1° | 126.4° |
| N13 | N14 | N8 | 106.3° | 106.7° |
| N14 | N8 | C7 | 120.7° | 127.4° |
| N8 | C7 | C2 | 118.6° | 120.1° |
| N8 | C7 | C6 | 121.3° | 120.1° |
| C7 | C2 | C3 | 120.5° | 120.1° |
| C2 | C7 | C6 | 119.8° | 119.7° |
| C7 | C2 | H40 | 119.8° | 119.9° |
| C2 | C3 | C4 | 119.4° | 120.4° |
| C3 | C2 | H40 | 119.8° | 120.0° |
| C2 | C3 | H41 | 120.3° | 119.7° |
| C7 | C6 | C9 | 123.0° | 120.2° |
| C7 | C6 | C5 | 119.0° | 119.6° |
| C20 | C21 | N17 | 102.6° | 103.3° |
| C21 | C20 | C19 | 104.8° | 102.9° |
| C21 | C20 | H48 | 110.6° | 110.7° |
| C21 | C20 | H49 | 110.6° | 110.9° |
| C20 | C21 | H51 | 111.2° | 110.7° |
| C20 | C21 | H50 | 111.1° | 110.7° |
| C21 | N17 | C18 | 111.5° | 105.9° |
| C21 | N17 | C15 | 126.3° | 127.0° |
| N17 | C21 | H51 | 111.1° | 110.7° |
| N17 | C21 | H50 | 111.2° | 110.7° |
| C20 | C19 | C23 | 115.2° | 110.3° |
| C20 | C19 | C18 | 103.3° | 105.0° |
| C20 | C19 | H47 | 105.9° | 110.4° |
| C19 | C20 | H48 | 110.6° | 110.7° |
| C19 | C20 | H49 | 110.6° | 110.8° |
| C27 | C28 | C23 | 120.7° | 120.0° |
| C28 | C27 | C26 | 120.1° | 120.0° |
| C28 | C27 | H55 | 119.9° | 120.0° |
| C27 | C28 | H56 | 119.7° | 120.0° |
| C28 | C23 | C19 | 119.1° | 120.0° |
| C28 | C23 | C24 | 118.6° | 120.0° |
| C23 | C28 | H56 | 119.7° | 120.0° |
| C3 | C4 | C5 | 121.5° | 120.3° |
| C3 | C4 | CL1 | 119.2° | 119.9° |
| C4 | C3 | H41 | 120.3° | 119.8° |
| O29 | C22 | C18 | 121.0° | 120.0° |
| O29 | C22 | N30 | 125.0° | 120.0° |
| C23 | C19 | C18 | 119.5° | 110.3° |
| C19 | C23 | C24 | 122.2° | 120.0° |
| C23 | C19 | H47 | 106.2° | 110.3° |
| C19 | C18 | N17 | 105.2° | 107.1° |
| C19 | C18 | C22 | 108.2° | 110.0° |
| C19 | C18 | H46 | 109.5° | 109.9° |
| C18 | C19 | H47 | 105.7° | 110.3° |
| C9 | C6 | C5 | 117.2° | 120.2° |
| C6 | C9 | C10 | 127.9° | 120.0° |
| C6 | C9 | H43 | 116.1° | 120.0° |
| C6 | C5 | C4 | 119.7° | 119.9° |
| C6 | C5 | H42 | 120.1° | 120.0° |
| C27 | C26 | C25 | 119.7° | 120.0° |
| C26 | C27 | H55 | 120.0° | 120.0° |
| C27 | C26 | H54 | 120.1° | 120.0° |
| C18 | N17 | C15 | 122.2° | 127.0° |
| N17 | C18 | C22 | 112.8° | 110.1° |
| N17 | C18 | H46 | 111.0° | 109.9° |
| N17 | C15 | C10 | 117.7° | 120.0° |
| N17 | C15 | O16 | 120.2° | 120.0° |
| C9 | C10 | C15 | 120.4° | 120.0° |
| C10 | C9 | H43 | 116.1° | 120.0° |
| C9 | C10 | H44 | 119.8° | 120.0° |
| C10 | C15 | O16 | 122.1° | 120.0° |
| C15 | C10 | H44 | 119.8° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | H52 | 119.7° | 120.0° |
| C5 | C4 | CL1 | 119.3° | 119.8° |
| C4 | C5 | H42 | 120.2° | 120.1° |
| C18 | C22 | N30 | 113.8° | 120.0° |
| C22 | C18 | H46 | 109.9° | 109.9° |
| C22 | N30 | C31 | 130.1° | 120.0° |
| C22 | N30 | H57 | 115.0° | 120.0° |
| C33 | C32 | C31 | 120.3° | 120.1° |
| C32 | C33 | C34 | 120.8° | 119.9° |
| C32 | C33 | H59 | 119.6° | 120.1° |
| C33 | C32 | H58 | 119.9° | 119.9° |
| C32 | C31 | N30 | 125.5° | 119.9° |
| C32 | C31 | C36 | 119.1° | 120.2° |
| C31 | C32 | H58 | 119.9° | 120.0° |
| C26 | C25 | C24 | 120.3° | 120.0° |
| C26 | C25 | H53 | 119.8° | 120.0° |
| C25 | C26 | H54 | 120.1° | 120.0° |
| C33 | C34 | C37 | 121.6° | 120.1° |
| C33 | C34 | C35 | 118.4° | 119.9° |
| C34 | C33 | H59 | 119.6° | 120.1° |
| C25 | C24 | H52 | 119.7° | 120.0° |
| C24 | C25 | H53 | 119.9° | 120.0° |
| N30 | C31 | C36 | 115.4° | 119.9° |
| C31 | N30 | H57 | 115.0° | 120.0° |
| C31 | C36 | C35 | 120.4° | 120.1° |
| C31 | C36 | H61 | 119.8° | 120.0° |
| O39 | C37 | C34 | 115.4° | 120.0° |
| O39 | C37 | O38 | 122.8° | 120.0° |
| C37 | O39 | H62 | 109.5° | 116.9° |
| C37 | C34 | C35 | 120.0° | 120.0° |
| C34 | C37 | O38 | 121.7° | 120.0° |
| C34 | C35 | C36 | 121.0° | 119.9° |
| C34 | C35 | H60 | 119.5° | 120.0° |
| C36 | C35 | H60 | 119.5° | 120.1° |
| C35 | C36 | H61 | 119.8° | 120.0° |
| H48 | C20 | H49 | 109.5° | 110.6° |
| H51 | C21 | H50 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C11 | N8 | H45 | 180.0° | 180.0° |
| C11 | N12 | N13 | N14 | 0.1° | 0.0° |
| N12 | C11 | N8 | N14 | 1.1° | 0.0° |
| N12 | C11 | N8 | C7 | 174.4° | 180.0° |
| N13 | N12 | C11 | N8 | 0.8° | 0.0° |
| N12 | N13 | N14 | N8 | 0.5° | 0.0° |
| N13 | N12 | C11 | H45 | 179.2° | 179.9° |
| C11 | N8 | N14 | N13 | 1.0° | 0.0° |
| C11 | N8 | N14 | C7 | 176.1° | 180.0° |
| C11 | N8 | C7 | C2 | 50.7° | 49.7° |
| C11 | N8 | C7 | C6 | 123.5° | 130.4° |
| N13 | N14 | N8 | C7 | 175.1° | 180.0° |
| N14 | N8 | C7 | C2 | 134.3° | 130.3° |
| N14 | N8 | C7 | C6 | 51.5° | 49.6° |
| N14 | N8 | C11 | H45 | 178.9° | 179.9° |
| N8 | C7 | C2 | C6 | 174.3° | 179.9° |
| N8 | C7 | C2 | C3 | 171.0° | 180.0° |
| N8 | C7 | C6 | C9 | 22.2° | 0.1° |
| N8 | C7 | C6 | C5 | 168.8° | 180.0° |
| C7 | N8 | C11 | H45 | 5.6° | 0.1° |
| N8 | C7 | C2 | H40 | 9.0° | 0.3° |
| C7 | C2 | C3 | H40 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C7 | C6 | C9 | 163.7° | 180.0° |
| C2 | C7 | C6 | C5 | 5.3° | 0.1° |
| C7 | C2 | C3 | H41 | 179.8° | 180.0° |
| C3 | C2 | C7 | C6 | 3.3° | 0.0° |
| C2 | C3 | C4 | H41 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | CL1 | 179.7° | 180.0° |
| C7 | C6 | C9 | C5 | 169.2° | 179.9° |
| C7 | C6 | C9 | C10 | 132.2° | 175.0° |
| C7 | C6 | C5 | C4 | 4.3° | 0.1° |
| C6 | C7 | C2 | H40 | 176.7° | 179.6° |
| C7 | C6 | C5 | H42 | 175.7° | 179.9° |
| C7 | C6 | C9 | H43 | 47.8° | 5.1° |
| C20 | C21 | N17 | H51 | 118.9° | 118.5° |
| C20 | C21 | N17 | H50 | 118.9° | 118.5° |
| C21 | C20 | C19 | H48 | 119.3° | 118.3° |
| C21 | C20 | C19 | H49 | 119.2° | 118.6° |
| C21 | C20 | C19 | C23 | 162.3° | 140.8° |
| C21 | C20 | C19 | C18 | 30.3° | 21.8° |
| C20 | C21 | N17 | C18 | 28.2° | 39.3° |
| C20 | C21 | N17 | C15 | 151.6° | 140.7° |
| C21 | C20 | C19 | H47 | 80.6° | 97.0° |
| C21 | C20 | H48 | H49 | 122.2° | 123.4° |
| C20 | C21 | H51 | H50 | 123.2° | 123.1° |
| N17 | C21 | C20 | C19 | 35.6° | 37.4° |
| C21 | N17 | C18 | C19 | 9.2° | 25.5° |
| C21 | N17 | C18 | C15 | 179.8° | 180.0° |
| C21 | N17 | C15 | C10 | 4.0° | 0.1° |
| C21 | N17 | C18 | C22 | 108.6° | 94.0° |
| C21 | N17 | C15 | O16 | 174.9° | 180.0° |
| C21 | N17 | C18 | H46 | 127.5° | 144.8° |
| N17 | C21 | C20 | H48 | 83.7° | 155.7° |
| N17 | C21 | C20 | H49 | 154.8° | 81.1° |
| N17 | C21 | H51 | H50 | 123.2° | 123.1° |
| C20 | C19 | C23 | C28 | 57.2° | 55.9° |
| C20 | C19 | C23 | C18 | 123.9° | 115.6° |
| C20 | C19 | C23 | H47 | 116.9° | 122.3° |
| C20 | C19 | C18 | H47 | 111.1° | 118.9° |
| C20 | C19 | C18 | N17 | 13.4° | 1.3° |
| C20 | C19 | C23 | C24 | 126.8° | 124.4° |
| C20 | C19 | C18 | C22 | 134.2° | 118.2° |
| C20 | C19 | C18 | H46 | 106.0° | 120.7° |
| C19 | C20 | H48 | H49 | 122.2° | 123.2° |
| C19 | C20 | C21 | H51 | 83.3° | 81.1° |
| C19 | C20 | C21 | H50 | 154.5° | 155.9° |
| C27 | C28 | C23 | H56 | 180.0° | 179.5° |
| C27 | C28 | C23 | C19 | 175.0° | 179.7° |
| C28 | C27 | C26 | H55 | 180.0° | 179.8° |
| C27 | C28 | C23 | C24 | 1.1° | 0.5° |
| C28 | C27 | C26 | C25 | 0.6° | 0.2° |
| C28 | C27 | C26 | H54 | 179.4° | 180.0° |
| C28 | C23 | C19 | C24 | 176.0° | 179.7° |
| C28 | C23 | C19 | C18 | 178.9° | 59.7° |
| C23 | C28 | C27 | C26 | 0.4° | 0.5° |
| C28 | C23 | C24 | C25 | 0.8° | 0.3° |
| C28 | C23 | C19 | H47 | 59.7° | 178.1° |
| C28 | C23 | C24 | H52 | 179.2° | 179.7° |
| C23 | C28 | C27 | H55 | 179.6° | 179.7° |
| C3 | C4 | C5 | C6 | 1.2° | 0.1° |
| C3 | C4 | C5 | CL1 | 178.9° | 179.9° |
| C4 | C3 | C2 | H40 | 179.8° | 179.7° |
| C3 | C4 | C5 | H42 | 178.8° | 179.9° |
| O29 | C22 | C18 | C19 | 73.8° | 99.6° |
| O29 | C22 | C18 | N17 | 42.2° | 18.2° |
| O29 | C22 | C18 | N30 | 175.9° | 179.9° |
| O29 | C22 | N30 | C31 | 8.9° | 5.4° |
| O29 | C22 | C18 | H46 | 166.7° | 139.3° |
| O29 | C22 | N30 | H57 | 171.1° | 174.6° |
| C23 | C19 | C18 | H47 | 119.4° | 122.1° |
| C23 | C19 | C18 | N17 | 142.9° | 117.6° |
| C23 | C19 | C18 | C22 | 96.3° | 122.9° |
| C19 | C23 | C24 | C25 | 175.2° | 180.0° |
| C23 | C19 | C18 | H46 | 23.5° | 1.7° |
| C23 | C19 | C20 | H48 | 43.1° | 100.9° |
| C23 | C19 | C20 | H49 | 78.5° | 22.2° |
| C19 | C23 | C24 | H52 | 4.8° | 0.0° |
| C19 | C23 | C28 | H56 | 5.0° | 0.3° |
| C19 | C18 | N17 | C22 | 117.8° | 119.5° |
| C19 | C18 | N17 | H46 | 118.4° | 119.3° |
| C19 | C18 | N17 | C15 | 170.6° | 154.6° |
| C18 | C19 | C23 | C24 | 2.9° | 120.0° |
| C19 | C18 | C22 | H46 | 119.5° | 121.1° |
| C19 | C18 | C22 | N30 | 102.1° | 80.3° |
| C18 | C19 | C20 | H48 | 89.0° | 140.2° |
| C18 | C19 | C20 | H49 | 149.5° | 96.7° |
| C6 | C9 | C10 | H43 | 180.0° | 179.9° |
| C6 | C9 | C10 | C15 | 173.4° | 180.0° |
| C9 | C6 | C5 | C4 | 165.3° | 180.0° |
| C9 | C6 | C5 | H42 | 14.7° | 0.0° |
| C6 | C9 | C10 | H44 | 6.6° | 0.1° |
| C5 | C6 | C9 | C10 | 58.6° | 5.1° |
| C6 | C5 | C4 | H42 | 180.0° | 179.9° |
| C6 | C5 | C4 | CL1 | 177.6° | 179.9° |
| C5 | C6 | C9 | H43 | 121.4° | 174.8° |
| C27 | C26 | C25 | H54 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.9° | 0.0° |
| C27 | C26 | C25 | H53 | 179.1° | 180.0° |
| C26 | C27 | C28 | H56 | 179.6° | 179.9° |
| C18 | N17 | C15 | C10 | 175.7° | 180.0° |
| N17 | C18 | C22 | H46 | 124.5° | 121.1° |
| N17 | C18 | C22 | N30 | 141.9° | 161.9° |
| C18 | N17 | C15 | O16 | 5.4° | 0.1° |
| N17 | C18 | C19 | H47 | 97.7° | 120.3° |
| C18 | N17 | C21 | H51 | 90.7° | 79.2° |
| C18 | N17 | C21 | H50 | 147.1° | 157.8° |
| N17 | C15 | C10 | C9 | 132.5° | 180.0° |
| N17 | C15 | C10 | O16 | 178.9° | 179.9° |
| C15 | N17 | C18 | C22 | 71.6° | 85.9° |
| C15 | N17 | C18 | H46 | 52.3° | 35.2° |
| C15 | N17 | C21 | H51 | 89.5° | 100.8° |
| C15 | N17 | C21 | H50 | 32.7° | 22.3° |
| N17 | C15 | C10 | H44 | 47.5° | 0.1° |
| C9 | C10 | C15 | H44 | 180.0° | 179.9° |
| C9 | C10 | C15 | O16 | 46.4° | 0.1° |
| C15 | C10 | C9 | H43 | 6.6° | 0.1° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H52 | 180.0° | 180.0° |
| C24 | C23 | C19 | H47 | 116.2° | 2.1° |
| C23 | C24 | C25 | H53 | 179.8° | 180.0° |
| C24 | C23 | C28 | H56 | 178.9° | 180.0° |
| C5 | C4 | C3 | H41 | 179.1° | 179.9° |
| CL1 | C4 | C3 | H41 | 0.3° | 0.0° |
| CL1 | C4 | C5 | H42 | 2.4° | 0.0° |
| C18 | C22 | N30 | C31 | 166.8° | 174.5° |
| C22 | C18 | C19 | H47 | 23.1° | 0.7° |
| C18 | C22 | N30 | H57 | 13.2° | 5.5° |
| C22 | N30 | C31 | C32 | 0.4° | 35.0° |
| C22 | N30 | C31 | H57 | 180.0° | 180.0° |
| C22 | N30 | C31 | C36 | 179.2° | 145.2° |
| N30 | C22 | C18 | H46 | 17.4° | 40.8° |
| O16 | C15 | C10 | H44 | 133.6° | 180.0° |
| C33 | C32 | C31 | H58 | 180.0° | 180.0° |
| C32 | C33 | C34 | H59 | 180.0° | 179.9° |
| C33 | C32 | C31 | N30 | 179.2° | 180.0° |
| C33 | C32 | C31 | C36 | 0.3° | 0.2° |
| C32 | C33 | C34 | C37 | 178.6° | 180.0° |
| C32 | C33 | C34 | C35 | 1.0° | 0.3° |
| C31 | C32 | C33 | C34 | 0.5° | 0.0° |
| C32 | C31 | N30 | C36 | 179.5° | 179.8° |
| C32 | C31 | C36 | C35 | 0.4° | 0.1° |
| C31 | C32 | C33 | H59 | 179.5° | 180.0° |
| C32 | C31 | N30 | H57 | 179.6° | 145.1° |
| C32 | C31 | C36 | H61 | 179.5° | 180.0° |
| C26 | C25 | C24 | H53 | 180.0° | 180.0° |
| C26 | C25 | C24 | H52 | 179.8° | 180.0° |
| C25 | C26 | C27 | H55 | 179.4° | 180.0° |
| C33 | C34 | C37 | O39 | 3.4° | 0.3° |
| C33 | C34 | C37 | C35 | 179.6° | 179.7° |
| C33 | C34 | C37 | O38 | 174.1° | 179.7° |
| C33 | C34 | C35 | C36 | 0.9° | 0.4° |
| C34 | C33 | C32 | H58 | 179.5° | 180.0° |
| C33 | C34 | C35 | H60 | 179.1° | 179.8° |
| C24 | C25 | C26 | H54 | 179.1° | 179.8° |
| N30 | C31 | C36 | C35 | 179.1° | 180.0° |
| N30 | C31 | C32 | H58 | 0.8° | 0.1° |
| N30 | C31 | C36 | H61 | 0.9° | 0.1° |
| C31 | C36 | C35 | C34 | 0.1° | 0.2° |
| C31 | C36 | C35 | H61 | 180.0° | 179.9° |
| C36 | C31 | N30 | H57 | 0.8° | 34.8° |
| C36 | C31 | C32 | H58 | 179.7° | 179.8° |
| C31 | C36 | C35 | H60 | 179.9° | 180.0° |
| O39 | C37 | C34 | O38 | 177.5° | 180.0° |
| O39 | C37 | C34 | C35 | 177.0° | 180.0° |
| C37 | C34 | C35 | C36 | 178.7° | 179.9° |
| C37 | C34 | C33 | H59 | 1.4° | 0.0° |
| C37 | C34 | C35 | H60 | 1.3° | 0.1° |
| C34 | C37 | O39 | H62 | 177.5° | 180.0° |
| C35 | C34 | C37 | O38 | 5.5° | 0.0° |
| C34 | C35 | C36 | H60 | 180.0° | 179.8° |
| C35 | C34 | C33 | H59 | 179.0° | 179.7° |
| C34 | C35 | C36 | H61 | 179.9° | 179.8° |
| O38 | C37 | O39 | H62 | 0.0° | 0.0° |
| H46 | C18 | C19 | H47 | 142.9° | 120.4° |
| H47 | C19 | C20 | H48 | 160.1° | 21.3° |
| H47 | C19 | C20 | H49 | 38.6° | 144.4° |
| H48 | C20 | C21 | H51 | 157.4° | 37.2° |
| H48 | C20 | C21 | H50 | 35.2° | 85.8° |
| H49 | C20 | C21 | H51 | 35.9° | 160.5° |
| H49 | C20 | C21 | H50 | 86.3° | 37.4° |
| H52 | C24 | C25 | H53 | 0.2° | 0.0° |
| H55 | C27 | C26 | H54 | 0.6° | 0.1° |
| H55 | C27 | C28 | H56 | 0.4° | 0.2° |
| H59 | C33 | C32 | H58 | 0.5° | 0.1° |
| H40 | C2 | C3 | H41 | 0.2° | 0.4° |
| H43 | C9 | C10 | H44 | 173.4° | 180.0° |
| H53 | C25 | C26 | H54 | 0.9° | 0.2° |
| H60 | C35 | C36 | H61 | 0.1° | 0.1° |
