XCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C27 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.51Å | 1.49Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| O10 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | N8 | sing | 1.35Å | 1.38Å | |
| N12 | C13 | sing | 1.35Å | 1.36Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C13 | C15 | sing | 1.47Å | 1.44Å | |
| N8 | C7 | sing | 1.46Å | 1.44Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | N21 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C28 | sing | 1.51Å | 1.54Å | |
| C6 | O5 | sing | 1.42Å | 1.45Å | |
| C17 | CL18 | sing | 1.74Å | 1.72Å | |
| C17 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| N21 | C19 | sing | 1.36Å | 1.36Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | CL20 | sing | 1.74Å | 1.70Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.37Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | O29 | doub | 1.21Å | 1.21Å | |
| C28 | N2 | sing | 1.35Å | 1.39Å | |
| C33 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.42Å | |
| N2 | C1 | sing | 1.47Å | 1.42Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.08Å | 1.08Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| C31 | H57 | sing | 1.08Å | 1.08Å | |
| C32 | H58 | sing | 1.08Å | 1.08Å | |
| C33 | H59 | sing | 1.08Å | 1.08Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| N12 | H42 | sing | 0.97Å | 1.00Å | |
| N21 | H44 | sing | 0.97Å | 1.00Å | |
| N8 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 112.3° | 109.5° |
| C25 | C26 | C27 | 111.0° | 109.5° |
| C26 | C25 | H50 | 108.8° | 109.5° |
| C26 | C25 | H51 | 108.7° | 109.4° |
| C25 | C26 | H53 | 109.1° | 109.5° |
| C25 | C26 | H52 | 109.1° | 109.5° |
| C25 | C24 | C23 | 110.8° | 109.5° |
| C25 | C24 | H49 | 109.2° | 109.5° |
| C25 | C24 | H48 | 109.1° | 109.5° |
| C24 | C25 | H50 | 108.7° | 109.5° |
| C24 | C25 | H51 | 108.8° | 109.5° |
| C26 | C27 | C22 | 111.4° | 109.5° |
| C27 | C26 | H53 | 109.1° | 109.4° |
| C27 | C26 | H52 | 109.1° | 109.5° |
| C26 | C27 | H55 | 109.0° | 109.4° |
| C26 | C27 | H54 | 109.0° | 109.5° |
| C24 | C23 | C22 | 107.9° | 109.5° |
| C24 | C23 | H47 | 109.9° | 109.4° |
| C24 | C23 | H46 | 109.9° | 109.4° |
| C23 | C24 | H49 | 109.1° | 109.4° |
| C23 | C24 | H48 | 109.1° | 109.5° |
| C27 | C22 | C23 | 109.4° | 109.5° |
| C27 | C22 | C11 | 107.4° | 109.5° |
| C27 | C22 | H45 | 107.8° | 109.4° |
| C22 | C27 | H55 | 109.0° | 109.4° |
| C22 | C27 | H54 | 109.0° | 109.5° |
| C23 | C22 | C11 | 115.8° | 109.5° |
| C23 | C22 | H45 | 108.2° | 109.5° |
| C22 | C23 | H47 | 109.9° | 109.5° |
| C22 | C23 | H46 | 109.9° | 109.5° |
| C22 | C11 | C9 | 112.6° | 109.5° |
| C22 | C11 | N12 | 107.3° | 109.4° |
| C22 | C11 | H41 | 109.1° | 109.4° |
| C11 | C22 | H45 | 108.0° | 109.4° |
| C9 | C11 | N12 | 108.3° | 109.5° |
| C11 | C9 | O10 | 119.1° | 120.0° |
| C11 | C9 | N8 | 117.4° | 120.0° |
| C9 | C11 | H41 | 109.6° | 109.5° |
| C11 | N12 | C13 | 117.7° | 120.0° |
| N12 | C11 | H41 | 110.0° | 109.5° |
| C11 | N12 | H42 | 121.1° | 120.0° |
| O10 | C9 | N8 | 123.5° | 120.0° |
| C9 | N8 | C7 | 116.0° | 120.0° |
| C9 | N8 | H40 | 122.0° | 120.0° |
| N12 | C13 | O14 | 121.5° | 120.0° |
| N12 | C13 | C15 | 116.7° | 120.0° |
| C13 | N12 | H42 | 121.2° | 120.0° |
| O14 | C13 | C15 | 121.2° | 120.0° |
| C13 | C15 | C16 | 132.3° | 126.2° |
| C13 | C15 | N21 | 119.7° | 126.2° |
| N8 | C7 | C6 | 113.7° | 109.4° |
| N8 | C7 | C28 | 107.2° | 109.4° |
| N8 | C7 | H39 | 109.3° | 109.3° |
| C7 | N8 | H40 | 122.0° | 120.0° |
| C15 | C16 | C17 | 107.3° | 107.1° |
| C16 | C15 | N21 | 108.0° | 107.6° |
| C15 | C16 | H43 | 126.4° | 126.4° |
| C16 | C17 | CL18 | 126.9° | 126.0° |
| C16 | C17 | C19 | 106.5° | 107.9° |
| C17 | C16 | H43 | 126.4° | 126.5° |
| C15 | N21 | C19 | 108.6° | 108.6° |
| C15 | N21 | H44 | 125.7° | 125.8° |
| C6 | C7 | C28 | 110.3° | 110.0° |
| C7 | C6 | O5 | 116.5° | 110.5° |
| C7 | C6 | H38 | 107.7° | 109.1° |
| C7 | C6 | H37 | 107.7° | 109.2° |
| C6 | C7 | H39 | 108.1° | 109.4° |
| C7 | C28 | O29 | 123.4° | 120.1° |
| C7 | C28 | N2 | 115.2° | 119.7° |
| C28 | C7 | H39 | 108.1° | 109.4° |
| C6 | O5 | C4 | 113.4° | 117.4° |
| O5 | C6 | H38 | 107.7° | 109.4° |
| O5 | C6 | H37 | 107.7° | 109.3° |
| CL18 | C17 | C19 | 126.5° | 126.1° |
| C17 | C19 | N21 | 109.6° | 108.9° |
| C17 | C19 | CL20 | 132.5° | 125.6° |
| N21 | C19 | CL20 | 117.9° | 125.6° |
| C19 | N21 | H44 | 125.7° | 125.7° |
| C30 | C31 | C32 | 120.5° | 120.3° |
| C31 | C30 | C4 | 119.3° | 119.9° |
| C31 | C30 | H56 | 120.3° | 120.1° |
| C30 | C31 | H57 | 119.8° | 119.9° |
| C31 | C32 | C33 | 120.1° | 120.2° |
| C32 | C31 | H57 | 119.7° | 119.8° |
| C31 | C32 | H58 | 120.0° | 119.9° |
| C30 | C4 | O5 | 117.9° | 120.5° |
| C30 | C4 | C3 | 120.9° | 119.8° |
| C4 | C30 | H56 | 120.3° | 120.0° |
| C32 | C33 | C3 | 120.1° | 119.9° |
| C33 | C32 | H58 | 119.9° | 119.9° |
| C32 | C33 | H59 | 120.0° | 120.0° |
| O5 | C4 | C3 | 121.2° | 119.7° |
| C4 | C3 | C33 | 119.1° | 120.0° |
| C4 | C3 | N2 | 119.3° | 119.3° |
| O29 | C28 | N2 | 121.4° | 120.2° |
| C28 | N2 | C3 | 122.8° | 119.4° |
| C28 | N2 | C1 | 118.5° | 120.4° |
| C33 | C3 | N2 | 121.5° | 120.7° |
| C3 | C33 | H59 | 120.0° | 120.1° |
| C3 | N2 | C1 | 118.5° | 120.3° |
| N2 | C1 | H36 | 109.5° | 109.4° |
| N2 | C1 | H34 | 109.4° | 109.4° |
| N2 | C1 | H35 | 109.5° | 109.5° |
| H36 | C1 | H34 | 109.5° | 109.5° |
| H36 | C1 | H35 | 109.5° | 109.5° |
| H34 | C1 | H35 | 109.5° | 109.5° |
| H47 | C23 | H46 | 109.4° | 109.5° |
| H49 | C24 | H48 | 109.5° | 109.5° |
| H50 | C25 | H51 | 109.5° | 109.4° |
| H53 | C26 | H52 | 109.5° | 109.4° |
| H55 | C27 | H54 | 109.5° | 109.5° |
| H38 | C6 | H37 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H50 | 120.4° | 120.0° |
| C26 | C25 | C24 | H51 | 120.4° | 120.0° |
| C25 | C26 | C27 | H53 | 120.2° | 120.0° |
| C25 | C26 | C27 | H52 | 120.2° | 120.1° |
| C26 | C25 | C24 | C23 | 56.3° | 60.0° |
| C25 | C26 | C27 | C22 | 53.1° | 59.9° |
| C26 | C25 | C24 | H49 | 176.5° | 60.0° |
| C26 | C25 | C24 | H48 | 63.9° | 180.0° |
| C26 | C25 | H50 | H51 | 118.7° | 119.9° |
| C25 | C26 | H53 | H52 | 119.3° | 120.0° |
| C25 | C26 | C27 | H55 | 173.4° | 60.0° |
| C25 | C26 | C27 | H54 | 67.2° | 180.0° |
| C24 | C25 | C26 | C27 | 51.8° | 60.0° |
| C25 | C24 | C23 | H49 | 120.2° | 120.0° |
| C25 | C24 | C23 | H48 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 61.0° | 60.0° |
| C25 | C24 | C23 | H47 | 58.8° | 180.0° |
| C25 | C24 | C23 | H46 | 179.3° | 60.0° |
| C25 | C24 | H49 | H48 | 119.4° | 120.0° |
| C24 | C25 | H50 | H51 | 118.7° | 120.1° |
| C24 | C25 | C26 | H53 | 68.4° | 60.0° |
| C24 | C25 | C26 | H52 | 172.0° | 180.0° |
| C26 | C27 | C22 | H55 | 120.3° | 120.0° |
| C26 | C27 | C22 | H54 | 120.3° | 120.1° |
| C26 | C27 | C22 | C23 | 59.4° | 60.0° |
| C26 | C27 | C22 | C11 | 174.2° | 180.0° |
| C26 | C27 | C22 | H45 | 58.0° | 60.0° |
| C27 | C26 | C25 | H50 | 68.6° | 180.0° |
| C27 | C26 | C25 | H51 | 172.2° | 60.1° |
| C27 | C26 | H53 | H52 | 119.3° | 120.0° |
| C26 | C27 | H55 | H54 | 119.1° | 120.0° |
| C24 | C23 | C22 | C27 | 62.0° | 60.0° |
| C24 | C23 | C22 | H47 | 119.8° | 120.0° |
| C24 | C23 | C22 | H46 | 119.7° | 120.0° |
| C24 | C23 | C22 | C11 | 176.5° | 180.0° |
| C24 | C23 | C22 | H45 | 55.2° | 60.0° |
| C24 | C23 | H47 | H46 | 120.8° | 119.9° |
| C23 | C24 | H49 | H48 | 119.4° | 120.0° |
| C23 | C24 | C25 | H50 | 64.1° | 180.0° |
| C23 | C24 | C25 | H51 | 176.7° | 60.0° |
| C27 | C22 | C23 | C11 | 121.5° | 120.0° |
| C27 | C22 | C23 | H45 | 117.2° | 120.0° |
| C27 | C22 | C11 | H45 | 116.0° | 120.0° |
| C27 | C22 | C11 | C9 | 161.8° | 59.9° |
| C27 | C22 | C11 | N12 | 79.2° | 60.0° |
| C27 | C22 | C11 | H41 | 39.9° | 179.9° |
| C27 | C22 | C23 | H47 | 57.8° | 180.0° |
| C27 | C22 | C23 | H46 | 178.3° | 60.0° |
| C22 | C27 | C26 | H53 | 67.1° | 60.0° |
| C22 | C27 | C26 | H52 | 173.3° | 180.0° |
| C22 | C27 | H55 | H54 | 119.1° | 120.0° |
| C23 | C22 | C11 | H45 | 121.4° | 120.0° |
| C23 | C22 | C11 | C9 | 39.2° | 180.0° |
| C23 | C22 | C11 | N12 | 158.2° | 60.0° |
| C23 | C22 | C11 | H41 | 82.7° | 60.0° |
| C22 | C23 | H47 | H46 | 120.7° | 120.1° |
| C22 | C23 | C24 | H49 | 178.8° | 60.0° |
| C22 | C23 | C24 | H48 | 59.2° | 180.0° |
| C23 | C22 | C27 | H55 | 179.7° | 60.0° |
| C23 | C22 | C27 | H54 | 60.9° | 180.0° |
| C22 | C11 | C9 | N12 | 118.4° | 119.9° |
| C22 | C11 | C9 | H41 | 121.6° | 120.0° |
| C22 | C11 | N12 | H41 | 118.5° | 120.0° |
| C22 | C11 | C9 | O10 | 86.9° | 120.0° |
| C22 | C11 | C9 | N8 | 95.2° | 60.0° |
| C22 | C11 | N12 | C13 | 163.8° | 85.0° |
| C11 | C22 | C23 | H47 | 63.7° | 60.0° |
| C11 | C22 | C23 | H46 | 56.8° | 60.0° |
| C11 | C22 | C27 | H55 | 53.9° | 60.0° |
| C11 | C22 | C27 | H54 | 65.5° | 59.9° |
| C22 | C11 | N12 | H42 | 16.1° | 95.0° |
| C9 | C11 | N12 | H41 | 119.8° | 120.1° |
| C11 | C9 | O10 | N8 | 177.7° | 180.0° |
| C9 | C11 | N12 | C13 | 74.4° | 155.0° |
| C11 | C9 | N8 | C7 | 176.7° | 180.0° |
| C9 | C11 | C22 | H45 | 82.2° | 60.0° |
| C9 | C11 | N12 | H42 | 105.6° | 25.0° |
| C11 | C9 | N8 | H40 | 3.3° | 0.0° |
| N12 | C11 | C9 | O10 | 154.7° | 0.1° |
| N12 | C11 | C9 | N8 | 23.2° | 180.0° |
| C11 | N12 | C13 | H42 | 180.0° | 180.0° |
| C11 | N12 | C13 | O14 | 10.6° | 0.1° |
| C11 | N12 | C13 | C15 | 160.2° | 180.0° |
| N12 | C11 | C22 | H45 | 36.8° | 180.0° |
| O10 | C9 | N8 | C7 | 1.1° | 0.0° |
| O10 | C9 | C11 | H41 | 34.7° | 120.0° |
| O10 | C9 | N8 | H40 | 178.9° | 180.0° |
| C9 | N8 | C7 | H40 | 180.0° | 180.0° |
| C9 | N8 | C7 | C6 | 111.6° | 155.0° |
| C9 | N8 | C7 | C28 | 126.3° | 84.4° |
| N8 | C9 | C11 | H41 | 143.2° | 59.9° |
| C9 | N8 | C7 | H39 | 9.3° | 35.3° |
| N12 | C13 | O14 | C15 | 170.3° | 180.0° |
| N12 | C13 | C15 | C16 | 11.2° | 179.7° |
| N12 | C13 | C15 | N21 | 167.8° | 0.0° |
| C13 | N12 | C11 | H41 | 45.3° | 34.9° |
| O14 | C13 | C15 | C16 | 159.6° | 0.4° |
| O14 | C13 | C15 | N21 | 21.4° | 180.0° |
| O14 | C13 | N12 | H42 | 169.4° | 180.0° |
| C13 | C15 | C16 | N21 | 179.1° | 179.7° |
| C13 | C15 | C16 | C17 | 178.8° | 180.0° |
| C13 | C15 | N21 | C19 | 179.2° | 179.9° |
| C13 | C15 | C16 | H43 | 1.2° | 0.1° |
| C15 | C13 | N12 | H42 | 19.8° | 0.0° |
| C13 | C15 | N21 | H44 | 0.8° | 0.1° |
| N8 | C7 | C6 | C28 | 120.4° | 120.2° |
| N8 | C7 | C6 | H39 | 121.6° | 119.6° |
| N8 | C7 | C28 | H39 | 117.8° | 119.7° |
| N8 | C7 | C6 | O5 | 166.4° | 164.3° |
| N8 | C7 | C28 | O29 | 14.7° | 14.5° |
| N8 | C7 | C28 | N2 | 166.7° | 165.7° |
| N8 | C7 | C6 | H38 | 72.6° | 75.5° |
| N8 | C7 | C6 | H37 | 45.3° | 43.9° |
| C15 | C16 | C17 | H43 | 180.0° | 179.9° |
| C15 | C16 | C17 | CL18 | 179.6° | 180.0° |
| C15 | C16 | C17 | C19 | 0.5° | 0.0° |
| C16 | C15 | N21 | C19 | 0.0° | 0.4° |
| C16 | C15 | N21 | H44 | 180.0° | 179.8° |
| C17 | C16 | C15 | N21 | 0.3° | 0.3° |
| C16 | C17 | CL18 | C19 | 179.0° | 180.0° |
| C16 | C17 | C19 | N21 | 0.5° | 0.2° |
| C16 | C17 | C19 | CL20 | 179.2° | 180.0° |
| C15 | N21 | C19 | C17 | 0.3° | 0.4° |
| C15 | N21 | C19 | H44 | 180.0° | 179.8° |
| C15 | N21 | C19 | CL20 | 179.4° | 179.8° |
| N21 | C15 | C16 | H43 | 179.7° | 179.8° |
| C6 | C7 | C28 | H39 | 117.9° | 120.2° |
| C7 | C6 | O5 | H38 | 121.0° | 120.1° |
| C7 | C6 | O5 | H37 | 121.0° | 120.2° |
| C7 | C6 | O5 | C4 | 39.8° | 43.6° |
| C6 | C7 | C28 | O29 | 109.6° | 105.6° |
| C6 | C7 | C28 | N2 | 69.0° | 74.2° |
| C7 | C6 | H38 | H37 | 116.8° | 119.3° |
| C6 | C7 | N8 | H40 | 68.4° | 25.0° |
| C28 | C7 | C6 | O5 | 45.9° | 44.1° |
| C7 | C28 | O29 | N2 | 178.5° | 179.8° |
| C7 | C28 | N2 | C3 | 1.7° | 3.3° |
| C7 | C28 | N2 | C1 | 175.6° | 176.7° |
| C28 | C7 | C6 | H38 | 167.0° | 164.4° |
| C28 | C7 | C6 | H37 | 75.1° | 76.2° |
| C28 | C7 | N8 | H40 | 53.7° | 95.6° |
| C6 | O5 | C4 | C30 | 109.4° | 104.5° |
| C6 | O5 | C4 | C3 | 70.8° | 75.2° |
| O5 | C6 | H38 | H37 | 116.8° | 119.6° |
| O5 | C6 | C7 | H39 | 72.0° | 76.1° |
| CL18 | C17 | C19 | N21 | 179.7° | 179.7° |
| CL18 | C17 | C19 | CL20 | 0.0° | 0.0° |
| CL18 | C17 | C16 | H43 | 0.4° | 0.1° |
| C17 | C19 | N21 | CL20 | 179.7° | 179.8° |
| C19 | C17 | C16 | H43 | 179.5° | 179.9° |
| C17 | C19 | N21 | H44 | 179.7° | 179.8° |
| C30 | C31 | C32 | H57 | 180.0° | 180.0° |
| C31 | C30 | C4 | H56 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.1° |
| C31 | C30 | C4 | O5 | 179.5° | 179.6° |
| C31 | C30 | C4 | C3 | 0.7° | 0.1° |
| C30 | C31 | C32 | H58 | 180.0° | 179.9° |
| C32 | C31 | C30 | C4 | 0.6° | 0.1° |
| C31 | C32 | C33 | H58 | 180.0° | 179.9° |
| C31 | C32 | C33 | C3 | 0.5° | 0.1° |
| C32 | C31 | C30 | H56 | 179.4° | 180.0° |
| C31 | C32 | C33 | H59 | 179.5° | 180.0° |
| C30 | C4 | O5 | C3 | 179.8° | 179.7° |
| C30 | C4 | C3 | C33 | 0.3° | 0.2° |
| C30 | C4 | C3 | N2 | 179.7° | 179.7° |
| C4 | C30 | C31 | H57 | 179.4° | 179.9° |
| CL20 | C19 | N21 | H44 | 0.6° | 0.0° |
| C32 | C33 | C3 | C4 | 0.3° | 0.2° |
| C32 | C33 | C3 | H59 | 180.0° | 179.9° |
| C32 | C33 | C3 | N2 | 179.1° | 179.7° |
| C33 | C32 | C31 | H57 | 180.0° | 179.9° |
| O5 | C4 | C3 | C33 | 179.9° | 179.5° |
| O5 | C4 | C3 | N2 | 0.5° | 0.6° |
| O5 | C4 | C30 | H56 | 0.5° | 0.4° |
| C4 | O5 | C6 | H38 | 81.2° | 76.6° |
| C4 | O5 | C6 | H37 | 160.9° | 163.8° |
| C4 | C3 | N2 | C28 | 52.9° | 48.7° |
| C4 | C3 | C33 | N2 | 179.4° | 179.9° |
| C4 | C3 | N2 | C1 | 133.2° | 131.3° |
| C3 | C4 | C30 | H56 | 179.3° | 179.9° |
| C4 | C3 | C33 | H59 | 179.7° | 179.8° |
| O29 | C28 | N2 | C3 | 179.7° | 176.5° |
| O29 | C28 | N2 | C1 | 5.8° | 3.5° |
| O29 | C28 | C7 | H39 | 132.5° | 134.2° |
| C28 | N2 | C3 | C33 | 126.5° | 131.4° |
| C28 | N2 | C3 | C1 | 173.9° | 180.0° |
| C28 | N2 | C1 | H36 | 180.0° | 0.0° |
| C28 | N2 | C1 | H34 | 60.0° | 120.0° |
| C28 | N2 | C1 | H35 | 60.0° | 120.0° |
| N2 | C28 | C7 | H39 | 48.9° | 46.0° |
| C33 | C3 | N2 | C1 | 47.4° | 48.7° |
| C3 | C33 | C32 | H58 | 179.6° | 180.0° |
| C3 | N2 | C1 | H36 | 5.9° | 180.0° |
| C3 | N2 | C1 | H34 | 125.9° | 60.0° |
| C3 | N2 | C1 | H35 | 114.1° | 60.0° |
| N2 | C3 | C33 | H59 | 0.9° | 0.2° |
| N2 | C1 | H36 | H34 | 120.0° | 120.0° |
| N2 | C1 | H36 | H35 | 120.0° | 120.0° |
| N2 | C1 | H34 | H35 | 120.0° | 120.0° |
| H36 | C1 | H34 | H35 | 120.0° | 120.0° |
| H41 | C11 | C22 | H45 | 155.9° | 60.0° |
| H41 | C11 | N12 | H42 | 134.6° | 145.0° |
| H45 | C22 | C23 | H47 | 175.0° | 60.0° |
| H45 | C22 | C23 | H46 | 64.6° | 180.0° |
| H45 | C22 | C27 | H55 | 62.3° | NaN° |
| H45 | C22 | C27 | H54 | 178.3° | 60.0° |
| H47 | C23 | C24 | H49 | 61.4° | 60.0° |
| H47 | C23 | C24 | H48 | 179.0° | 59.9° |
| H46 | C23 | C24 | H49 | 59.1° | 180.0° |
| H46 | C23 | C24 | H48 | 60.5° | 60.0° |
| H49 | C24 | C25 | H50 | 56.1° | 60.0° |
| H49 | C24 | C25 | H51 | 63.1° | 180.0° |
| H48 | C24 | C25 | H50 | 175.7° | 60.0° |
| H48 | C24 | C25 | H51 | 56.5° | 60.0° |
| H50 | C25 | C26 | H53 | 171.1° | 60.0° |
| H50 | C25 | C26 | H52 | 51.6° | 59.9° |
| H51 | C25 | C26 | H53 | 52.0° | 179.9° |
| H51 | C25 | C26 | H52 | 67.6° | 60.0° |
| H53 | C26 | C27 | H55 | 53.2° | 180.0° |
| H53 | C26 | C27 | H54 | 172.6° | 60.0° |
| H52 | C26 | C27 | H55 | 66.4° | 60.1° |
| H52 | C26 | C27 | H54 | 53.0° | 59.9° |
| H56 | C30 | C31 | H57 | 0.6° | 0.0° |
| H57 | C31 | C32 | H58 | 0.0° | 0.2° |
| H58 | C32 | C33 | H59 | 0.5° | 0.1° |
| H38 | C6 | C7 | H39 | 49.0° | 44.2° |
| H37 | C6 | C7 | H39 | 166.9° | 163.6° |
| H39 | C7 | N8 | H40 | 170.7° | 144.7° |
