XW9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C31 | sing | 1.47Å | 1.50Å | |
| N1 | C35 | sing | 1.47Å | 1.51Å | |
| C2 | O3 | doub | 1.22Å | 1.21Å | |
| C2 | N4 | sing | 1.35Å | 1.41Å | |
| N4 | C5 | sing | 1.47Å | 1.52Å | |
| N4 | C8 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | doub | 1.30Å | 1.33Å | |
| C6 | C11 | sing | 1.51Å | 1.49Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | C9 | sing | 1.51Å | 1.46Å | |
| C9 | N10 | sing | 1.47Å | 1.50Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| N10 | C12 | sing | 1.35Å | 1.38Å | |
| C12 | O13 | doub | 1.22Å | 1.23Å | |
| C12 | C14 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O17 | sing | 1.36Å | 1.37Å | |
| C16 | N25 | doub | 1.32Å | 1.35Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | C24 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | O22 | sing | 1.43Å | 1.43Å | |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| N25 | C26 | sing | 1.32Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.48Å | |
| C26 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | doub | 1.35Å | 1.39Å | Aromatic |
| C32 | O38 | sing | 1.33Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.50Å | 1.50Å | |
| C33 | C36 | sing | 1.41Å | 1.47Å | Aromatic |
| C34 | C35 | sing | 1.54Å | 1.57Å | |
| C36 | N37 | doub | 1.31Å | 1.37Å | Aromatic |
| C36 | O39 | sing | 1.36Å | 1.34Å | |
| N37 | O38 | sing | 1.21Å | 1.35Å | Aromatic |
| C11 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.08Å | 1.08Å | |
| C18 | H50 | sing | 1.09Å | 1.10Å | |
| C18 | H49 | sing | 1.09Å | 1.10Å | |
| C19 | H51 | sing | 1.09Å | 1.10Å | |
| C20 | H53 | sing | 1.09Å | 1.10Å | |
| C20 | H52 | sing | 1.09Å | 1.10Å | |
| C21 | H54 | sing | 1.09Å | 1.10Å | |
| C21 | H55 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C23 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H59 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.09Å | 1.10Å | |
| C28 | H62 | sing | 1.09Å | 1.10Å | |
| C28 | H61 | sing | 1.09Å | 1.10Å | |
| C5 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H64 | sing | 1.09Å | 1.10Å | |
| C29 | H63 | sing | 1.09Å | 1.10Å | |
| C30 | H65 | sing | 1.08Å | 1.08Å | |
| C31 | H66 | sing | 1.09Å | 1.10Å | |
| C31 | H67 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C35 | H71 | sing | 1.09Å | 1.10Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| O39 | H72 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C31 | 123.1° | 120.8° |
| C2 | N1 | C35 | 119.7° | 120.7° |
| N1 | C2 | O3 | 116.8° | 120.0° |
| N1 | C2 | N4 | 121.5° | 120.0° |
| C31 | N1 | C35 | 112.9° | 118.5° |
| N1 | C31 | C32 | 108.1° | 107.2° |
| N1 | C31 | H66 | 109.8° | 109.9° |
| N1 | C31 | H67 | 109.8° | 109.9° |
| N1 | C35 | C34 | 109.6° | 108.9° |
| N1 | C35 | H71 | 109.4° | 109.5° |
| N1 | C35 | H70 | 109.5° | 109.5° |
| O3 | C2 | N4 | 121.7° | 120.0° |
| C2 | N4 | C5 | 117.9° | 127.2° |
| C2 | N4 | C8 | 123.9° | 127.3° |
| C5 | N4 | C8 | 110.4° | 105.5° |
| N4 | C5 | C6 | 103.0° | 107.2° |
| N4 | C5 | H40 | 111.1° | 109.9° |
| N4 | C5 | H41 | 111.1° | 110.0° |
| N4 | C8 | C7 | 101.2° | 107.3° |
| N4 | C8 | H43 | 111.5° | 109.9° |
| N4 | C8 | H42 | 111.5° | 109.9° |
| C5 | C6 | C7 | 110.9° | 110.0° |
| C5 | C6 | C11 | 136.9° | 140.1° |
| C6 | C5 | H40 | 111.1° | 109.9° |
| C6 | C5 | H41 | 111.1° | 109.9° |
| C7 | C6 | C11 | 112.2° | 110.0° |
| C6 | C7 | C8 | 114.5° | 110.0° |
| C6 | C7 | C9 | 112.1° | 110.0° |
| C6 | C11 | N10 | 98.8° | 107.4° |
| C6 | C11 | H46 | 112.1° | 109.9° |
| C6 | C11 | H47 | 112.1° | 109.8° |
| C8 | C7 | C9 | 133.4° | 140.0° |
| C7 | C8 | H43 | 111.5° | 109.9° |
| C7 | C8 | H42 | 111.5° | 109.9° |
| C7 | C9 | N10 | 99.7° | 107.3° |
| C7 | C9 | H45 | 111.8° | 109.9° |
| C7 | C9 | H44 | 111.9° | 109.9° |
| C9 | N10 | C11 | 110.4° | 105.4° |
| C9 | N10 | C12 | 118.5° | 127.3° |
| N10 | C9 | H45 | 111.8° | 109.8° |
| N10 | C9 | H44 | 111.8° | 110.0° |
| C11 | N10 | C12 | 126.5° | 127.4° |
| N10 | C11 | H46 | 112.1° | 110.0° |
| N10 | C11 | H47 | 112.1° | 109.9° |
| N10 | C12 | O13 | 119.3° | 120.0° |
| N10 | C12 | C14 | 121.7° | 120.0° |
| O13 | C12 | C14 | 118.9° | 120.0° |
| C12 | C14 | C15 | 122.0° | 120.9° |
| C12 | C14 | C30 | 116.4° | 120.9° |
| C15 | C14 | C30 | 121.5° | 118.2° |
| C14 | C15 | C16 | 116.8° | 119.0° |
| C14 | C15 | H48 | 121.6° | 120.5° |
| C14 | C30 | C26 | 116.7° | 119.1° |
| C14 | C30 | H65 | 121.6° | 120.4° |
| C15 | C16 | O17 | 115.8° | 119.7° |
| C15 | C16 | N25 | 123.5° | 120.7° |
| C16 | C15 | H48 | 121.6° | 120.5° |
| O17 | C16 | N25 | 120.6° | 119.6° |
| C16 | O17 | C18 | 115.6° | 117.0° |
| C16 | N25 | C26 | 118.5° | 122.0° |
| O17 | C18 | C19 | 107.1° | 109.5° |
| O17 | C18 | H50 | 110.0° | 109.5° |
| O17 | C18 | H49 | 110.1° | 109.5° |
| C18 | C19 | C20 | 107.1° | 109.6° |
| C18 | C19 | C24 | 110.2° | 109.6° |
| C19 | C18 | H50 | 110.1° | 109.4° |
| C19 | C18 | H49 | 110.0° | 109.5° |
| C18 | C19 | H51 | 110.7° | 109.5° |
| C20 | C19 | C24 | 108.2° | 109.1° |
| C19 | C20 | C21 | 106.5° | 109.2° |
| C20 | C19 | H51 | 110.2° | 109.5° |
| C19 | C20 | H53 | 110.2° | 109.5° |
| C19 | C20 | H52 | 110.2° | 109.5° |
| C19 | C24 | C23 | 109.3° | 109.2° |
| C24 | C19 | H51 | 110.5° | 109.6° |
| C19 | C24 | H59 | 109.5° | 109.5° |
| C19 | C24 | H58 | 109.5° | 109.5° |
| C20 | C21 | O22 | 110.1° | 109.4° |
| C21 | C20 | H53 | 110.2° | 109.6° |
| C21 | C20 | H52 | 110.2° | 109.6° |
| C20 | C21 | H54 | 109.3° | 109.5° |
| C20 | C21 | H55 | 109.3° | 109.5° |
| C21 | O22 | C23 | 112.4° | 114.1° |
| O22 | C21 | H54 | 109.3° | 109.5° |
| O22 | C21 | H55 | 109.3° | 109.5° |
| O22 | C23 | C24 | 112.6° | 109.4° |
| O22 | C23 | H57 | 108.7° | 109.5° |
| O22 | C23 | H56 | 108.7° | 109.5° |
| C24 | C23 | H57 | 108.7° | 109.5° |
| C24 | C23 | H56 | 108.7° | 109.5° |
| C23 | C24 | H59 | 109.5° | 109.5° |
| C23 | C24 | H58 | 109.5° | 109.5° |
| N25 | C26 | C27 | 113.8° | 119.5° |
| N25 | C26 | C30 | 123.0° | 121.0° |
| C27 | C26 | C30 | 123.2° | 119.5° |
| C26 | C27 | C28 | 119.5° | 117.5° |
| C26 | C27 | C29 | 121.8° | 117.5° |
| C26 | C27 | H60 | 115.3° | 115.6° |
| C26 | C30 | H65 | 121.6° | 120.5° |
| C28 | C27 | C29 | 60.0° | 60.0° |
| C27 | C28 | C29 | 58.9° | 60.0° |
| C28 | C27 | H60 | 114.2° | 117.4° |
| C27 | C28 | H62 | 120.2° | 117.6° |
| C27 | C28 | H61 | 120.2° | 117.5° |
| C27 | C29 | C28 | 61.1° | 60.0° |
| C29 | C27 | H60 | 114.7° | 117.5° |
| C27 | C29 | H64 | 119.8° | 117.5° |
| C27 | C29 | H63 | 119.8° | 117.5° |
| C29 | C28 | H62 | 120.2° | 117.5° |
| C29 | C28 | H61 | 120.2° | 117.4° |
| C28 | C29 | H64 | 119.8° | 117.5° |
| C28 | C29 | H63 | 119.8° | 117.5° |
| C31 | C32 | C33 | 124.9° | 123.5° |
| C31 | C32 | O38 | 124.8° | 129.8° |
| C32 | C31 | H66 | 109.8° | 109.9° |
| C32 | C31 | H67 | 109.8° | 109.9° |
| C33 | C32 | O38 | 110.3° | 106.7° |
| C32 | C33 | C34 | 123.2° | 125.4° |
| C32 | C33 | C36 | 102.1° | 104.4° |
| C32 | O38 | N37 | 110.6° | 111.4° |
| C34 | C33 | C36 | 134.7° | 130.2° |
| C33 | C34 | C35 | 108.4° | 108.6° |
| C33 | C34 | H68 | 109.7° | 109.6° |
| C33 | C34 | H69 | 109.7° | 109.6° |
| C33 | C36 | N37 | 110.8° | 105.9° |
| C33 | C36 | O39 | 122.4° | 127.1° |
| C35 | C34 | H68 | 109.7° | 109.7° |
| C35 | C34 | H69 | 109.7° | 109.5° |
| C34 | C35 | H71 | 109.4° | 109.7° |
| C34 | C35 | H70 | 109.4° | 109.6° |
| N37 | C36 | O39 | 126.8° | 127.1° |
| C36 | N37 | O38 | 106.2° | 111.6° |
| C36 | O39 | H72 | 109.5° | 114.0° |
| H46 | C11 | H47 | 109.5° | 109.9° |
| H50 | C18 | H49 | 109.5° | 109.5° |
| H53 | C20 | H52 | 109.5° | 109.5° |
| H54 | C21 | H55 | 109.5° | 109.5° |
| H57 | C23 | H56 | 109.5° | 109.5° |
| H59 | C24 | H58 | 109.5° | 109.6° |
| H62 | C28 | H61 | 109.4° | 115.6° |
| H40 | C5 | H41 | 109.5° | 110.0° |
| H43 | C8 | H42 | 109.5° | 110.0° |
| H45 | C9 | H44 | 109.5° | 110.0° |
| H64 | C29 | H63 | 109.5° | 115.6° |
| H66 | C31 | H67 | 109.4° | 109.9° |
| H68 | C34 | H69 | 109.5° | 109.8° |
| H71 | C35 | H70 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C31 | C35 | 156.5° | 179.8° |
| N1 | C2 | O3 | N4 | 178.8° | 179.9° |
| N1 | C2 | N4 | C5 | 174.8° | 171.4° |
| N1 | C2 | N4 | C8 | 28.6° | 8.5° |
| C2 | N1 | C31 | C32 | 155.0° | 135.6° |
| C2 | N1 | C35 | C34 | 134.8° | 115.9° |
| C2 | N1 | C31 | H66 | 85.2° | 16.1° |
| C2 | N1 | C31 | H67 | 35.2° | 104.9° |
| C2 | N1 | C35 | H71 | 14.8° | 124.2° |
| C2 | N1 | C35 | H70 | 105.1° | 4.0° |
| C31 | N1 | C2 | O3 | 19.0° | 172.4° |
| C31 | N1 | C2 | N4 | 159.8° | 7.6° |
| N1 | C31 | C32 | H66 | 119.8° | 119.5° |
| N1 | C31 | C32 | H67 | 119.8° | 119.5° |
| N1 | C31 | C32 | C33 | 17.1° | 11.3° |
| N1 | C31 | C32 | O38 | 164.9° | 168.7° |
| C31 | N1 | C35 | C34 | 67.7° | 64.4° |
| N1 | C31 | H66 | H67 | 120.6° | 121.1° |
| C31 | N1 | C35 | H71 | 172.3° | 55.6° |
| C31 | N1 | C35 | H70 | 52.3° | 175.7° |
| C35 | N1 | C2 | O3 | 136.0° | 7.9° |
| C35 | N1 | C2 | N4 | 45.2° | 172.2° |
| C35 | N1 | C31 | C32 | 48.5° | 44.7° |
| N1 | C35 | C34 | C33 | 48.6° | 44.7° |
| N1 | C35 | C34 | H71 | 120.0° | 119.9° |
| N1 | C35 | C34 | H70 | 120.0° | 119.8° |
| C35 | N1 | C31 | H66 | 71.3° | 164.1° |
| C35 | N1 | C31 | H67 | 168.3° | 74.8° |
| N1 | C35 | C34 | H68 | 168.4° | 75.1° |
| N1 | C35 | C34 | H69 | 71.2° | 164.4° |
| N1 | C35 | H71 | H70 | 120.0° | 120.1° |
| O3 | C2 | N4 | C5 | 3.9° | 8.6° |
| O3 | C2 | N4 | C8 | 150.1° | 171.4° |
| C2 | N4 | C5 | C8 | 150.5° | 180.0° |
| C2 | N4 | C5 | C6 | 150.7° | 179.9° |
| C2 | N4 | C8 | C7 | 148.7° | 180.0° |
| C2 | N4 | C5 | H40 | 31.8° | 60.7° |
| C2 | N4 | C5 | H41 | 90.3° | 60.5° |
| C2 | N4 | C8 | H43 | 92.6° | 60.6° |
| C2 | N4 | C8 | H42 | 30.0° | 60.6° |
| N4 | C5 | C6 | H40 | 119.0° | 119.4° |
| N4 | C5 | C6 | H41 | 119.0° | 119.5° |
| N4 | C5 | C6 | C7 | 0.0° | 0.1° |
| N4 | C5 | C6 | C11 | 178.6° | 180.0° |
| C5 | N4 | C8 | C7 | 0.3° | 0.0° |
| N4 | C5 | H40 | H41 | 123.0° | 121.2° |
| C5 | N4 | C8 | H43 | 119.0° | 119.4° |
| C5 | N4 | C8 | H42 | 118.3° | 119.5° |
| C8 | N4 | C5 | C6 | 0.2° | 0.0° |
| N4 | C8 | C7 | C6 | 0.4° | 0.0° |
| N4 | C8 | C7 | H43 | 118.6° | 119.4° |
| N4 | C8 | C7 | H42 | 118.7° | 119.4° |
| N4 | C8 | C7 | C9 | 179.8° | 180.0° |
| C8 | N4 | C5 | H40 | 118.7° | 119.4° |
| C8 | N4 | C5 | H41 | 119.2° | 119.4° |
| N4 | C8 | H43 | H42 | 123.9° | 121.1° |
| C5 | C6 | C7 | C11 | 179.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | C9 | 179.8° | 180.0° |
| C5 | C6 | C11 | N10 | 165.1° | 179.9° |
| C5 | C6 | C11 | H46 | 76.7° | 60.5° |
| C5 | C6 | C11 | H47 | 46.9° | 60.5° |
| C6 | C5 | H40 | H41 | 123.0° | 121.0° |
| C6 | C7 | C8 | C9 | 179.9° | 179.9° |
| C6 | C7 | C9 | N10 | 14.4° | 0.1° |
| C7 | C6 | C11 | N10 | 16.3° | 0.2° |
| C7 | C6 | C11 | H46 | 102.0° | 119.4° |
| C7 | C6 | C11 | H47 | 134.5° | 119.6° |
| C7 | C6 | C5 | H40 | 119.0° | 119.4° |
| C7 | C6 | C5 | H41 | 118.9° | 119.5° |
| C6 | C7 | C8 | H43 | 119.0° | 119.3° |
| C6 | C7 | C8 | H42 | 118.3° | 119.5° |
| C6 | C7 | C9 | H45 | 132.8° | 119.4° |
| C6 | C7 | C9 | H44 | 104.0° | 119.4° |
| C11 | C6 | C7 | C8 | 178.7° | 180.0° |
| C11 | C6 | C7 | C9 | 1.2° | 0.1° |
| C6 | C11 | N10 | C9 | 25.5° | 0.2° |
| C6 | C11 | N10 | H46 | 118.2° | 119.5° |
| C6 | C11 | N10 | H47 | 118.2° | 119.4° |
| C6 | C11 | N10 | C12 | 179.4° | 180.0° |
| C6 | C11 | H46 | H47 | 125.0° | 120.9° |
| C11 | C6 | C5 | H40 | 59.6° | 60.6° |
| C11 | C6 | C5 | H41 | 62.4° | 60.6° |
| C8 | C7 | C9 | N10 | 165.8° | 179.8° |
| C7 | C8 | H43 | H42 | 123.9° | 121.2° |
| C8 | C7 | C9 | H45 | 47.4° | 60.5° |
| C8 | C7 | C9 | H44 | 75.9° | 60.6° |
| C7 | C9 | N10 | H45 | 118.4° | 119.4° |
| C7 | C9 | N10 | H44 | 118.4° | 119.5° |
| C7 | C9 | N10 | C11 | 25.3° | 0.2° |
| C7 | C9 | N10 | C12 | 177.4° | 179.9° |
| C9 | C7 | C8 | H43 | 61.1° | 60.6° |
| C9 | C7 | C8 | H42 | 61.6° | 60.6° |
| C7 | C9 | H45 | H44 | 124.6° | 121.1° |
| C9 | N10 | C11 | C12 | 155.1° | 179.7° |
| C9 | N10 | C12 | O13 | 161.2° | 4.9° |
| C9 | N10 | C12 | C14 | 18.4° | 175.1° |
| C9 | N10 | C11 | H46 | 92.7° | 119.3° |
| C9 | N10 | C11 | H47 | 143.7° | 119.6° |
| N10 | C9 | H45 | H44 | 124.5° | 121.1° |
| C11 | N10 | C12 | O13 | 7.9° | 174.8° |
| C11 | N10 | C12 | C14 | 171.8° | 5.3° |
| N10 | C11 | H46 | H47 | 125.0° | 121.1° |
| C11 | N10 | C9 | H45 | 143.6° | 119.6° |
| C11 | N10 | C9 | H44 | 93.1° | 119.3° |
| N10 | C12 | O13 | C14 | 179.7° | 180.0° |
| N10 | C12 | C14 | C15 | 123.4° | 6.8° |
| N10 | C12 | C14 | C30 | 60.8° | 173.2° |
| C12 | N10 | C11 | H46 | 62.4° | 60.4° |
| C12 | N10 | C11 | H47 | 61.2° | 60.6° |
| C12 | N10 | C9 | H45 | 59.0° | 60.7° |
| C12 | N10 | C9 | H44 | 64.2° | 60.4° |
| O13 | C12 | C14 | C15 | 56.3° | 173.2° |
| O13 | C12 | C14 | C30 | 119.5° | 6.8° |
| C12 | C14 | C15 | C30 | 175.6° | 180.0° |
| C12 | C14 | C15 | C16 | 173.7° | 180.0° |
| C12 | C14 | C30 | C26 | 174.3° | 179.5° |
| C12 | C14 | C15 | H48 | 6.3° | 0.3° |
| C12 | C14 | C30 | H65 | 5.7° | 0.3° |
| C14 | C15 | C16 | H48 | 180.0° | 179.7° |
| C14 | C15 | C16 | O17 | 177.9° | 179.7° |
| C14 | C15 | C16 | N25 | 0.6° | 0.3° |
| C15 | C14 | C30 | C26 | 1.5° | 0.5° |
| C15 | C14 | C30 | H65 | 178.5° | 179.7° |
| C30 | C14 | C15 | C16 | 1.9° | 0.0° |
| C14 | C30 | C26 | N25 | 0.2° | 0.8° |
| C14 | C30 | C26 | C27 | 179.5° | 179.9° |
| C14 | C30 | C26 | H65 | 180.0° | 179.2° |
| C30 | C14 | C15 | H48 | 178.1° | 179.7° |
| C15 | C16 | O17 | N25 | 177.4° | 180.0° |
| C15 | C16 | O17 | C18 | 177.7° | 180.0° |
| C15 | C16 | N25 | C26 | 1.0° | 0.0° |
| C16 | O17 | C18 | C19 | 179.9° | 180.0° |
| O17 | C16 | N25 | C26 | 176.2° | 180.0° |
| O17 | C16 | C15 | H48 | 2.1° | 0.0° |
| C16 | O17 | C18 | H50 | 60.5° | 60.0° |
| C16 | O17 | C18 | H49 | 60.3° | 60.0° |
| N25 | C16 | O17 | C18 | 4.9° | 0.0° |
| C16 | N25 | C26 | C27 | 179.2° | 179.8° |
| C16 | N25 | C26 | C30 | 1.4° | 0.5° |
| N25 | C16 | C15 | H48 | 179.4° | 180.0° |
| O17 | C18 | C19 | H50 | 119.6° | 120.0° |
| O17 | C18 | C19 | H49 | 119.6° | 120.0° |
| O17 | C18 | C19 | C20 | 173.6° | 175.0° |
| O17 | C18 | C19 | C24 | 69.0° | 65.4° |
| O17 | C18 | H50 | H49 | 121.1° | 120.0° |
| O17 | C18 | C19 | H51 | 53.5° | 54.9° |
| C18 | C19 | C20 | C24 | 118.7° | 120.0° |
| C18 | C19 | C20 | H51 | 120.4° | 120.2° |
| C18 | C19 | C24 | H51 | 122.6° | 120.2° |
| C18 | C19 | C20 | C21 | 179.0° | 176.9° |
| C18 | C19 | C24 | C23 | 173.2° | 176.9° |
| C19 | C18 | H50 | H49 | 121.1° | 120.0° |
| C18 | C19 | C20 | H53 | 61.5° | 63.2° |
| C18 | C19 | C20 | H52 | 59.4° | 56.9° |
| C18 | C19 | C24 | H59 | 53.2° | 57.0° |
| C18 | C19 | C24 | H58 | 66.8° | 63.2° |
| C20 | C19 | C24 | H51 | 120.7° | 119.8° |
| C19 | C20 | C21 | H53 | 119.5° | 119.9° |
| C19 | C20 | C21 | H52 | 119.5° | 119.9° |
| C19 | C20 | C21 | O22 | 62.5° | 57.6° |
| C20 | C19 | C24 | C23 | 56.5° | 56.9° |
| C20 | C19 | C18 | H50 | 54.0° | 65.0° |
| C20 | C19 | C18 | H49 | 66.8° | 55.0° |
| C19 | C20 | H53 | H52 | 121.4° | 120.1° |
| C19 | C20 | C21 | H54 | 57.6° | 62.4° |
| C19 | C20 | C21 | H55 | 177.4° | 177.6° |
| C20 | C19 | C24 | H59 | 63.5° | 63.0° |
| C20 | C19 | C24 | H58 | 176.5° | 176.9° |
| C24 | C19 | C20 | C21 | 60.3° | 56.9° |
| C19 | C24 | C23 | O22 | 54.9° | 57.6° |
| C19 | C24 | C23 | H59 | 120.0° | 119.9° |
| C19 | C24 | C23 | H58 | 120.0° | 119.9° |
| C24 | C19 | C18 | H50 | 171.4° | 54.6° |
| C24 | C19 | C18 | H49 | 50.6° | 174.6° |
| C24 | C19 | C20 | H53 | 179.8° | 176.9° |
| C24 | C19 | C20 | H52 | 59.3° | 63.0° |
| C19 | C24 | C23 | H57 | 65.6° | 177.6° |
| C19 | C24 | C23 | H56 | 175.4° | 62.4° |
| C19 | C24 | H59 | H58 | 120.1° | 120.1° |
| C20 | C21 | O22 | H54 | 120.1° | 120.1° |
| C20 | C21 | O22 | H55 | 120.1° | 119.9° |
| C20 | C21 | O22 | C23 | 61.9° | 61.2° |
| C21 | C20 | C19 | H51 | 60.6° | 63.0° |
| C21 | C20 | H53 | H52 | 121.4° | 120.2° |
| C20 | C21 | H54 | H55 | 119.7° | 120.0° |
| C21 | O22 | C23 | C24 | 57.6° | 61.2° |
| O22 | C21 | C20 | H53 | 178.0° | 177.5° |
| O22 | C21 | C20 | H52 | 57.0° | 62.3° |
| O22 | C21 | H54 | H55 | 119.7° | 120.0° |
| C21 | O22 | C23 | H57 | 62.8° | 178.8° |
| C21 | O22 | C23 | H56 | 178.1° | 58.8° |
| O22 | C23 | C24 | H57 | 120.5° | 120.0° |
| O22 | C23 | C24 | H56 | 120.5° | 120.0° |
| C23 | O22 | C21 | H54 | 58.2° | 58.9° |
| C23 | O22 | C21 | H55 | 178.0° | 178.9° |
| O22 | C23 | H57 | H56 | 118.6° | 120.1° |
| O22 | C23 | C24 | H59 | 65.1° | 62.3° |
| O22 | C23 | C24 | H58 | 174.9° | 177.5° |
| C23 | C24 | C19 | H51 | 64.2° | 62.9° |
| C24 | C23 | H57 | H56 | 118.6° | 120.0° |
| C23 | C24 | H59 | H58 | 120.1° | 120.2° |
| N25 | C26 | C27 | C30 | 179.4° | 179.3° |
| N25 | C26 | C27 | C28 | 26.0° | 94.3° |
| N25 | C26 | C27 | C29 | 45.1° | 162.9° |
| N25 | C26 | C27 | H60 | 167.9° | 51.4° |
| N25 | C26 | C30 | H65 | 179.8° | 179.9° |
| C26 | C27 | C28 | C29 | 111.9° | 107.5° |
| C26 | C27 | C28 | H60 | 142.4° | 145.0° |
| C26 | C27 | C29 | H60 | 147.1° | 145.1° |
| C26 | C27 | C28 | H62 | 138.9° | 145.0° |
| C26 | C27 | C28 | H61 | 2.7° | 0.1° |
| C26 | C27 | C29 | H64 | 1.6° | 0.0° |
| C26 | C27 | C29 | H63 | 142.1° | 145.1° |
| C27 | C26 | C30 | H65 | 0.5° | 0.8° |
| C30 | C26 | C27 | C28 | 154.7° | 85.0° |
| C30 | C26 | C27 | C29 | 134.3° | 16.4° |
| C30 | C26 | C27 | H60 | 12.7° | 129.3° |
| C28 | C27 | C29 | H60 | 104.7° | 107.4° |
| C27 | C28 | C29 | H62 | 109.2° | 107.5° |
| C27 | C28 | C29 | H61 | 109.2° | 107.5° |
| C27 | C28 | H62 | H61 | 145.3° | 145.7° |
| C28 | C27 | C29 | H64 | 109.8° | 107.5° |
| C28 | C27 | C29 | H63 | 109.8° | 107.4° |
| C27 | C29 | H64 | H63 | 144.2° | 145.7° |
| C29 | C28 | H62 | H61 | 145.3° | 145.6° |
| C28 | C29 | H64 | H63 | 144.1° | 145.7° |
| C31 | C32 | C33 | O38 | 178.3° | 180.0° |
| C31 | C32 | C33 | C34 | 3.7° | 0.2° |
| C31 | C32 | C33 | C36 | 177.1° | 179.9° |
| C31 | C32 | O38 | N37 | 177.6° | 179.8° |
| C32 | C31 | H66 | H67 | 120.6° | 121.1° |
| C32 | C33 | C34 | C36 | 178.8° | 180.0° |
| C32 | C33 | C34 | C35 | 19.3° | 17.4° |
| C32 | C33 | C36 | N37 | 1.3° | 0.1° |
| C32 | C33 | C36 | O39 | 177.6° | 179.8° |
| C33 | C32 | O38 | N37 | 0.7° | 0.2° |
| C33 | C32 | C31 | H66 | 102.8° | 130.8° |
| C33 | C32 | C31 | H67 | 136.9° | 108.1° |
| C32 | C33 | C34 | H68 | 139.1° | 102.5° |
| C32 | C33 | C34 | H69 | 100.5° | 137.0° |
| O38 | C32 | C33 | C34 | 178.0° | 179.8° |
| O38 | C32 | C33 | C36 | 1.1° | 0.2° |
| C32 | O38 | N37 | C36 | 0.2° | 0.1° |
| O38 | C32 | C31 | H66 | 75.3° | 49.2° |
| O38 | C32 | C31 | H67 | 45.1° | 71.9° |
| C33 | C34 | C35 | H68 | 119.8° | 119.8° |
| C33 | C34 | C35 | H69 | 119.8° | 119.7° |
| C34 | C33 | C36 | N37 | 177.7° | 179.9° |
| C34 | C33 | C36 | O39 | 3.5° | 0.2° |
| C33 | C34 | H68 | H69 | 120.5° | 120.5° |
| C33 | C34 | C35 | H71 | 168.6° | 75.2° |
| C33 | C34 | C35 | H70 | 71.4° | 164.6° |
| C36 | C33 | C34 | C35 | 162.0° | 162.7° |
| C33 | C36 | N37 | O39 | 178.8° | 179.9° |
| C33 | C36 | N37 | O38 | 0.9° | 0.0° |
| C36 | C33 | C34 | H68 | 42.1° | 77.5° |
| C36 | C33 | C34 | H69 | 78.2° | 43.1° |
| C33 | C36 | O39 | H72 | 178.6° | 90.0° |
| C35 | C34 | H68 | H69 | 120.5° | 120.4° |
| C34 | C35 | H71 | H70 | 119.9° | 120.4° |
| N37 | C36 | O39 | H72 | 0.0° | 90.1° |
| O39 | C36 | N37 | O38 | 177.9° | 180.0° |
| H50 | C18 | C19 | H51 | 66.1° | 174.8° |
| H49 | C18 | C19 | H51 | 173.1° | 65.2° |
| H51 | C19 | C20 | H53 | 58.9° | 57.0° |
| H51 | C19 | C20 | H52 | 179.9° | 177.1° |
| H51 | C19 | C24 | H59 | 175.8° | 177.2° |
| H51 | C19 | C24 | H58 | 55.8° | 57.0° |
| H53 | C20 | C21 | H54 | 62.0° | 57.5° |
| H53 | C20 | C21 | H55 | 57.9° | 62.5° |
| H52 | C20 | C21 | H54 | 177.1° | 177.7° |
| H52 | C20 | C21 | H55 | 63.1° | 57.7° |
| H57 | C23 | C24 | H59 | 174.5° | 57.7° |
| H57 | C23 | C24 | H58 | 54.4° | 62.5° |
| H56 | C23 | C24 | H59 | 55.4° | 177.7° |
| H56 | C23 | C24 | H58 | 64.7° | 57.5° |
| H60 | C27 | C28 | H62 | 3.5° | 0.1° |
| H60 | C27 | C28 | H61 | 145.1° | 145.0° |
| H60 | C27 | C29 | H64 | 145.5° | 145.1° |
| H60 | C27 | C29 | H63 | 5.0° | 0.0° |
| H62 | C28 | C29 | H64 | 141.1° | 145.0° |
| H62 | C28 | C29 | H63 | 0.6° | 0.0° |
| H61 | C28 | C29 | H64 | 0.6° | 0.0° |
| H61 | C28 | C29 | H63 | 141.0° | 145.0° |
| H68 | C34 | C35 | H71 | 71.6° | 165.1° |
| H68 | C34 | C35 | H70 | 48.4° | 44.8° |
| H69 | C34 | C35 | H71 | 48.8° | 44.5° |
| H69 | C34 | C35 | H70 | 168.7° | 75.8° |
