876
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | P26 | sing | 1.81Å | 1.76Å | |
| C4 | C5 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | P69 | sing | 1.81Å | 1.74Å | |
| C5 | C6 | sing | 1.38Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72A | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N11 | sing | 1.46Å | 1.46Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | N10 | sing | 1.35Å | 1.35Å | |
| C9 | O15 | doub | 1.21Å | 1.26Å | |
| N10 | C16 | sing | 1.46Å | 1.47Å | |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| N11 | C12 | sing | 1.35Å | 1.34Å | |
| N11 | H11 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | O14 | doub | 1.21Å | 1.24Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C22 | sing | 1.51Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.52Å | 1.59Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.52Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | N21 | sing | 1.47Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| N21 | C22 | sing | 1.34Å | 1.41Å | |
| N21 | C23 | sing | 1.46Å | 1.48Å | |
| C22 | O25 | doub | 1.21Å | 1.24Å | |
| C23 | C24 | sing | 1.51Å | 1.48Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| P26 | O73 | doub | 1.48Å | 1.45Å | |
| P26 | O74 | sing | 1.61Å | 1.58Å | |
| P26 | O75 | sing | 1.61Å | 1.54Å | |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C32 | sing | 1.48Å | 1.49Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C59 | sing | 1.39Å | 1.42Å | Aromatic |
| C32 | C63 | doub | 1.39Å | 1.43Å | Aromatic |
| C59 | C60 | doub | 1.38Å | 1.42Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.10Å | |
| C60 | C61 | sing | 1.38Å | 1.41Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.10Å | |
| C61 | C62 | doub | 1.38Å | 1.41Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.10Å | |
| C62 | C63 | sing | 1.38Å | 1.41Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| P69 | O70 | sing | 1.61Å | 1.47Å | |
| P69 | O71 | doub | 1.48Å | 1.45Å | |
| P69 | O72 | sing | 1.61Å | 1.42Å | |
| O70 | H70 | sing | 0.97Å | 0.95Å | |
| O72 | H72 | sing | 0.97Å | 0.95Å | |
| O74 | H74 | sing | 0.97Å | 0.95Å | |
| O75 | H75 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.7° | 120.0° |
| C2 | C1 | H1 | 118.2° | 120.0° |
| C1 | C2 | C3 | 117.3° | 120.0° |
| C1 | C2 | H2 | 121.7° | 120.0° |
| C6 | C1 | H1 | 119.1° | 120.0° |
| C1 | C6 | C5 | 122.2° | 120.0° |
| C1 | C6 | C7 | 99.4° | 120.0° |
| C3 | C2 | H2 | 121.0° | 120.0° |
| C2 | C3 | C4 | 124.0° | 120.0° |
| C2 | C3 | P26 | 113.3° | 120.0° |
| C4 | C3 | P26 | 122.6° | 120.0° |
| C3 | C4 | C5 | 121.6° | 120.0° |
| C3 | C4 | P69 | 110.1° | 120.0° |
| C3 | P26 | O73 | 111.2° | 109.5° |
| C3 | P26 | O74 | 118.6° | 109.5° |
| C3 | P26 | O75 | 108.2° | 109.5° |
| C5 | C4 | P69 | 128.1° | 120.0° |
| C4 | C5 | C6 | 112.1° | 120.0° |
| C4 | C5 | H5 | 123.1° | 120.0° |
| C4 | P69 | O70 | 118.5° | 109.5° |
| C4 | P69 | O71 | 112.3° | 109.5° |
| C4 | P69 | O72 | 93.9° | 109.5° |
| C6 | C5 | H5 | 124.7° | 120.0° |
| C5 | C6 | C7 | 137.9° | 120.0° |
| C6 | C7 | C8 | 107.0° | 109.5° |
| C6 | C7 | H71 | 113.1° | 109.5° |
| C6 | C7 | H72A | 113.1° | 109.5° |
| C8 | C7 | H71 | 113.1° | 109.4° |
| C8 | C7 | H72A | 113.1° | 109.5° |
| C7 | C8 | C9 | 108.3° | 109.5° |
| C7 | C8 | N11 | 112.4° | 109.4° |
| C7 | C8 | H8 | 109.3° | 109.5° |
| H71 | C7 | H72A | 97.3° | 109.4° |
| C9 | C8 | N11 | 112.4° | 109.4° |
| C9 | C8 | H8 | 109.4° | 109.4° |
| C8 | C9 | N10 | 118.0° | 120.0° |
| C8 | C9 | O15 | 117.6° | 120.0° |
| N11 | C8 | H8 | 105.1° | 109.5° |
| C8 | N11 | C12 | 124.0° | 120.1° |
| C8 | N11 | H11 | 122.9° | 119.9° |
| N10 | C9 | O15 | 124.3° | 120.0° |
| C9 | N10 | C16 | 120.9° | 120.0° |
| C9 | N10 | H10 | 115.4° | 120.0° |
| C16 | N10 | H10 | 123.7° | 120.0° |
| N10 | C16 | C17 | 104.2° | 109.6° |
| N10 | C16 | C22 | 111.5° | 109.6° |
| N10 | C16 | H16 | 113.0° | 109.7° |
| C12 | N11 | H11 | 113.1° | 120.0° |
| N11 | C12 | C13 | 108.3° | 120.0° |
| N11 | C12 | O14 | 126.8° | 119.9° |
| C13 | C12 | O14 | 124.9° | 120.0° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C12 | C13 | H132 | 112.6° | 109.4° |
| C12 | C13 | H133 | 112.6° | 109.5° |
| H131 | C13 | H132 | 112.7° | 109.5° |
| H131 | C13 | H133 | 112.7° | 109.5° |
| H132 | C13 | H133 | 97.8° | 109.4° |
| C17 | C16 | C22 | 113.2° | 108.7° |
| C17 | C16 | H16 | 111.3° | 109.6° |
| C16 | C17 | C18 | 117.0° | 110.7° |
| C16 | C17 | H171 | 109.5° | 109.2° |
| C16 | C17 | H172 | 109.5° | 109.2° |
| C22 | C16 | H16 | 103.9° | 109.7° |
| C16 | C22 | N21 | 118.5° | 120.0° |
| C16 | C22 | O25 | 118.8° | 120.1° |
| C18 | C17 | H171 | 109.5° | 109.2° |
| C18 | C17 | H172 | 109.5° | 109.3° |
| C17 | C18 | C19 | 113.4° | 113.8° |
| C17 | C18 | H181 | 110.8° | 108.6° |
| C17 | C18 | H182 | 110.8° | 108.6° |
| H171 | C17 | H172 | 100.6° | 109.2° |
| C19 | C18 | H181 | 110.8° | 108.6° |
| C19 | C18 | H182 | 110.8° | 108.6° |
| C18 | C19 | C20 | 111.5° | 110.9° |
| C18 | C19 | H191 | 111.4° | 109.2° |
| C18 | C19 | H192 | 111.4° | 109.2° |
| H181 | C18 | H182 | 99.5° | 108.5° |
| C20 | C19 | H191 | 111.5° | 109.2° |
| C20 | C19 | H192 | 111.5° | 109.3° |
| C19 | C20 | N21 | 121.1° | 108.6° |
| C19 | C20 | H201 | 108.1° | 109.6° |
| C19 | C20 | H202 | 108.0° | 109.6° |
| H191 | C19 | H192 | 99.0° | 109.1° |
| N21 | C20 | H201 | 108.0° | 109.6° |
| N21 | C20 | H202 | 108.0° | 109.6° |
| C20 | N21 | C22 | 130.5° | 120.5° |
| C20 | N21 | C23 | 108.3° | 119.8° |
| H201 | C20 | H202 | 101.9° | 109.8° |
| C22 | N21 | C23 | 120.9° | 119.7° |
| N21 | C22 | O25 | 122.7° | 119.9° |
| N21 | C23 | C24 | 108.6° | 109.5° |
| N21 | C23 | H231 | 112.5° | 109.5° |
| N21 | C23 | H232 | 112.6° | 109.5° |
| C24 | C23 | H231 | 112.5° | 109.4° |
| C24 | C23 | H232 | 112.5° | 109.5° |
| C23 | C24 | C27 | 115.3° | 119.9° |
| C23 | C24 | C31 | 122.9° | 119.8° |
| H231 | C23 | H232 | 97.9° | 109.4° |
| C27 | C24 | C31 | 121.6° | 120.3° |
| C24 | C27 | C28 | 119.0° | 120.2° |
| C24 | C27 | H27 | 120.4° | 120.0° |
| C24 | C31 | C30 | 119.2° | 120.1° |
| C24 | C31 | H31 | 120.6° | 119.9° |
| O73 | P26 | O74 | 107.7° | 109.5° |
| O73 | P26 | O75 | 119.6° | 109.5° |
| O74 | P26 | O75 | 90.6° | 109.4° |
| P26 | O74 | H74 | 118.6° | 106.9° |
| P26 | O75 | H75 | 108.1° | 106.8° |
| C28 | C27 | H27 | 120.7° | 119.9° |
| C27 | C28 | C29 | 120.3° | 119.8° |
| C27 | C28 | H28 | 119.6° | 120.1° |
| C29 | C28 | H28 | 120.1° | 120.1° |
| C28 | C29 | C30 | 120.4° | 119.8° |
| C28 | C29 | C32 | 117.1° | 120.1° |
| C30 | C29 | C32 | 122.4° | 120.1° |
| C29 | C30 | C31 | 119.3° | 119.9° |
| C29 | C30 | H30 | 120.5° | 120.1° |
| C29 | C32 | C59 | 119.5° | 120.1° |
| C29 | C32 | C63 | 121.5° | 120.1° |
| C31 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | H31 | 120.2° | 120.0° |
| C59 | C32 | C63 | 118.8° | 119.8° |
| C32 | C59 | C60 | 120.1° | 119.9° |
| C32 | C59 | H59 | 119.8° | 120.1° |
| C32 | C63 | C62 | 120.9° | 119.9° |
| C32 | C63 | H63 | 120.3° | 120.0° |
| C60 | C59 | H59 | 120.1° | 120.0° |
| C59 | C60 | C61 | 119.7° | 120.1° |
| C59 | C60 | H60 | 120.6° | 119.9° |
| C61 | C60 | H60 | 119.6° | 119.9° |
| C60 | C61 | C62 | 121.0° | 120.3° |
| C60 | C61 | H61 | 119.4° | 119.9° |
| C62 | C61 | H61 | 119.6° | 119.8° |
| C61 | C62 | C63 | 119.1° | 120.1° |
| C61 | C62 | H62 | 120.4° | 120.0° |
| C63 | C62 | H62 | 120.5° | 120.0° |
| C62 | C63 | H63 | 118.8° | 120.0° |
| O70 | P69 | O71 | 114.3° | 109.5° |
| O70 | P69 | O72 | 101.8° | 109.5° |
| P69 | O70 | H70 | 118.6° | 106.8° |
| O71 | P69 | O72 | 113.5° | 109.5° |
| P69 | O72 | H72 | 93.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.3° | 0.0° |
| C1 | C2 | C3 | P26 | 177.9° | 180.0° |
| C2 | C1 | C6 | C5 | 4.1° | 0.2° |
| C2 | C1 | C6 | C7 | 168.8° | 180.0° |
| C6 | C1 | C2 | C3 | 1.8° | 0.0° |
| C6 | C1 | C2 | H2 | 178.2° | 180.0° |
| C1 | C6 | C5 | C4 | 3.0° | 0.4° |
| C1 | C6 | C5 | C7 | 169.6° | 179.8° |
| C1 | C6 | C5 | H5 | 177.0° | 180.0° |
| C1 | C6 | C7 | C8 | 170.4° | 90.0° |
| C1 | C6 | C7 | H71 | 64.3° | 150.0° |
| C1 | C6 | C7 | H72A | 45.2° | 30.0° |
| H1 | C1 | C2 | C3 | 178.2° | 179.9° |
| H1 | C1 | C2 | H2 | 1.8° | 0.1° |
| H1 | C1 | C6 | C5 | 175.9° | 179.7° |
| H1 | C1 | C6 | C7 | 11.2° | 0.1° |
| C2 | C3 | C4 | P26 | 176.3° | 180.0° |
| C2 | C3 | C4 | C5 | 2.2° | 0.2° |
| C2 | C3 | C4 | P69 | 177.9° | 180.0° |
| C2 | C3 | P26 | O73 | 104.9° | 143.3° |
| C2 | C3 | P26 | O74 | 20.8° | 96.7° |
| C2 | C3 | P26 | O75 | 121.9° | 23.3° |
| H2 | C2 | C3 | C4 | 178.6° | 180.0° |
| H2 | C2 | C3 | P26 | 2.1° | 0.0° |
| C3 | C4 | C5 | P69 | 174.8° | 179.8° |
| C3 | C4 | C5 | C6 | 0.0° | 0.5° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | P26 | O73 | 71.7° | 36.7° |
| C4 | C3 | P26 | O74 | 162.6° | 83.3° |
| C4 | C3 | P26 | O75 | 61.5° | 156.8° |
| C3 | C4 | P69 | O70 | 42.9° | 83.0° |
| C3 | C4 | P69 | O71 | 94.0° | 37.0° |
| C3 | C4 | P69 | O72 | 148.6° | 157.0° |
| P26 | C3 | C4 | C5 | 178.5° | 179.8° |
| P26 | C3 | C4 | P69 | 5.9° | 0.0° |
| C3 | P26 | O73 | O74 | 131.6° | 120.0° |
| C3 | P26 | O73 | O75 | 127.3° | 120.0° |
| C3 | P26 | O74 | O75 | 111.2° | 120.0° |
| C3 | P26 | O74 | H74 | 179.9° | 180.0° |
| C3 | P26 | O75 | H75 | 180.0° | 63.6° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 166.6° | 179.8° |
| C5 | C4 | P69 | O70 | 141.8° | 96.8° |
| C5 | C4 | P69 | O71 | 81.4° | 143.2° |
| C5 | C4 | P69 | O72 | 36.1° | 23.2° |
| P69 | C4 | C5 | C6 | 174.8° | 179.8° |
| P69 | C4 | C5 | H5 | 5.2° | 0.2° |
| C4 | P69 | O70 | O71 | 136.0° | 120.0° |
| C4 | P69 | O70 | O72 | 101.2° | 120.0° |
| C4 | P69 | O71 | O72 | 105.0° | 120.0° |
| C4 | P69 | O70 | H70 | 180.0° | 179.9° |
| C4 | P69 | O72 | H72 | 179.9° | 60.0° |
| C5 | C6 | C7 | C8 | 0.6° | 90.2° |
| C5 | C6 | C7 | H71 | 124.6° | 29.7° |
| C5 | C6 | C7 | H72A | 125.9° | 149.7° |
| H5 | C5 | C6 | C7 | 13.4° | 0.2° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72A | 125.3° | 120.1° |
| C6 | C7 | H71 | H72A | 119.0° | 120.1° |
| C6 | C7 | C8 | C9 | 176.0° | 180.0° |
| C6 | C7 | C8 | N11 | 59.3° | 60.1° |
| C6 | C7 | C8 | H8 | 56.9° | 60.0° |
| C8 | C7 | H71 | H72A | 119.1° | 120.0° |
| C7 | C8 | C9 | N11 | 124.7° | 119.9° |
| C7 | C8 | C9 | H8 | 119.0° | 120.1° |
| C7 | C8 | N11 | H8 | 118.7° | 120.1° |
| C7 | C8 | C9 | N10 | 90.6° | 90.0° |
| C7 | C8 | C9 | O15 | 92.2° | 89.9° |
| C7 | C8 | N11 | C12 | 128.8° | 60.0° |
| C7 | C8 | N11 | H11 | 51.2° | 120.1° |
| H71 | C7 | C8 | C9 | 50.7° | 60.0° |
| H71 | C7 | C8 | N11 | 175.5° | 179.9° |
| H71 | C7 | C8 | H8 | 68.3° | 60.0° |
| H72A | C7 | C8 | C9 | 58.7° | 59.9° |
| H72A | C7 | C8 | N11 | 66.0° | 60.0° |
| H72A | C7 | C8 | H8 | 177.8° | 179.9° |
| C9 | C8 | N11 | H8 | 118.8° | 119.9° |
| C8 | C9 | N10 | O15 | 177.0° | 179.9° |
| C8 | C9 | N10 | C16 | 175.2° | 180.0° |
| C8 | C9 | N10 | H10 | 4.8° | 0.1° |
| C9 | C8 | N11 | C12 | 108.8° | 60.0° |
| C9 | C8 | N11 | H11 | 71.3° | 119.9° |
| N11 | C8 | C9 | N10 | 144.7° | 150.1° |
| N11 | C8 | C9 | O15 | 32.5° | 30.0° |
| C8 | N11 | C12 | H11 | 180.0° | 180.0° |
| C8 | N11 | C12 | C13 | 179.0° | 180.0° |
| C8 | N11 | C12 | O14 | 0.6° | 0.1° |
| H8 | C8 | C9 | N10 | 28.4° | 30.1° |
| H8 | C8 | C9 | O15 | 148.8° | 150.0° |
| H8 | C8 | N11 | C12 | 10.1° | 180.0° |
| H8 | C8 | N11 | H11 | 169.9° | 0.0° |
| C9 | N10 | C16 | H10 | 180.0° | 179.9° |
| C9 | N10 | C16 | C17 | 178.4° | 162.6° |
| C9 | N10 | C16 | C22 | 59.2° | 78.2° |
| C9 | N10 | C16 | H16 | 57.4° | 42.3° |
| O15 | C9 | N10 | C16 | 7.9° | 0.1° |
| O15 | C9 | N10 | H10 | 172.2° | 180.0° |
| N10 | C16 | C17 | C22 | 121.3° | 119.8° |
| N10 | C16 | C17 | H16 | 122.0° | 120.4° |
| N10 | C16 | C22 | H16 | 122.0° | 120.5° |
| N10 | C16 | C17 | C18 | 179.1° | 34.8° |
| N10 | C16 | C17 | H171 | 53.8° | 85.5° |
| N10 | C16 | C17 | H172 | 55.6° | 155.1° |
| N10 | C16 | C22 | N21 | 176.2° | 48.7° |
| N10 | C16 | C22 | O25 | 2.7° | 131.6° |
| H10 | N10 | C16 | C17 | 1.6° | 17.3° |
| H10 | N10 | C16 | C22 | 120.8° | 101.9° |
| H10 | N10 | C16 | H16 | 122.6° | 137.6° |
| N11 | C12 | C13 | O14 | 179.6° | 179.9° |
| N11 | C12 | C13 | H131 | 180.0° | 180.0° |
| N11 | C12 | C13 | H132 | 54.7° | 60.0° |
| N11 | C12 | C13 | H133 | 54.7° | 60.0° |
| H11 | N11 | C12 | C13 | 1.0° | 0.0° |
| H11 | N11 | C12 | O14 | 179.4° | 179.9° |
| C12 | C13 | H131 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H133 | 125.2° | 120.0° |
| C12 | C13 | H132 | H133 | 118.5° | 120.0° |
| O14 | C12 | C13 | H131 | 0.4° | 0.1° |
| O14 | C12 | C13 | H132 | 125.7° | 120.1° |
| O14 | C12 | C13 | H133 | 124.9° | 119.9° |
| H131 | C13 | H132 | H133 | 118.6° | 120.0° |
| C17 | C16 | C22 | H16 | 120.9° | 119.8° |
| C16 | C17 | C18 | H171 | 125.3° | 120.3° |
| C16 | C17 | C18 | H172 | 125.3° | 120.3° |
| C16 | C17 | H171 | H172 | 115.2° | 119.4° |
| C16 | C17 | C18 | C19 | 22.2° | 66.8° |
| C16 | C17 | C18 | H181 | 147.5° | 54.3° |
| C16 | C17 | C18 | H182 | 103.1° | 172.1° |
| C17 | C16 | C22 | N21 | 66.8° | 71.1° |
| C17 | C16 | C22 | O25 | 114.3° | 108.7° |
| C22 | C16 | C17 | C18 | 59.5° | 85.0° |
| C22 | C16 | C17 | H171 | 175.1° | 154.7° |
| C22 | C16 | C17 | H172 | 65.7° | 35.3° |
| C16 | C22 | N21 | C20 | 8.5° | 0.6° |
| C16 | C22 | N21 | O25 | 178.9° | 179.7° |
| C16 | C22 | N21 | C23 | 178.8° | 179.5° |
| H16 | C16 | C17 | C18 | 57.1° | 155.2° |
| H16 | C16 | C17 | H171 | 68.2° | 34.9° |
| H16 | C16 | C17 | H172 | 177.7° | 84.5° |
| H16 | C16 | C22 | N21 | 54.1° | 169.2° |
| H16 | C16 | C22 | O25 | 124.8° | 11.1° |
| C18 | C17 | H171 | H172 | 115.2° | 119.4° |
| C17 | C18 | C19 | H181 | 125.3° | 121.1° |
| C17 | C18 | C19 | H182 | 125.3° | 121.1° |
| C17 | C18 | H181 | H182 | 116.6° | 117.9° |
| C17 | C18 | C19 | C20 | 81.4° | 67.1° |
| C17 | C18 | C19 | H191 | 43.8° | 172.6° |
| C17 | C18 | C19 | H192 | 153.4° | 53.4° |
| H171 | C17 | C18 | C19 | 103.1° | 172.9° |
| H171 | C17 | C18 | H181 | 22.2° | 66.0° |
| H171 | C17 | C18 | H182 | 131.6° | 51.8° |
| H172 | C17 | C18 | C19 | 147.5° | 53.5° |
| H172 | C17 | C18 | H181 | 87.2° | 174.6° |
| H172 | C17 | C18 | H182 | 22.2° | 67.6° |
| C19 | C18 | H181 | H182 | 116.6° | 117.9° |
| C18 | C19 | C20 | H191 | 125.2° | 120.3° |
| C18 | C19 | C20 | H192 | 125.2° | 120.4° |
| C18 | C19 | H191 | H192 | 117.3° | 119.3° |
| C18 | C19 | C20 | N21 | 50.4° | 86.5° |
| C18 | C19 | C20 | H201 | 175.7° | 33.3° |
| C18 | C19 | C20 | H202 | 74.8° | 153.8° |
| H181 | C18 | C19 | C20 | 153.3° | 54.1° |
| H181 | C18 | C19 | H191 | 81.5° | 66.3° |
| H181 | C18 | C19 | H192 | 28.1° | 174.5° |
| H182 | C18 | C19 | C20 | 43.9° | 171.8° |
| H182 | C18 | C19 | H191 | 169.1° | 51.5° |
| H182 | C18 | C19 | H192 | 81.4° | 67.7° |
| C20 | C19 | H191 | H192 | 117.4° | 119.4° |
| C19 | C20 | N21 | H201 | 125.3° | 119.7° |
| C19 | C20 | N21 | H202 | 125.2° | 119.7° |
| C19 | C20 | H201 | H202 | 113.7° | 120.4° |
| C19 | C20 | N21 | C22 | 5.4° | 72.1° |
| C19 | C20 | N21 | C23 | 167.9° | 108.0° |
| H191 | C19 | C20 | N21 | 74.8° | 153.2° |
| H191 | C19 | C20 | H201 | 50.4° | 87.1° |
| H191 | C19 | C20 | H202 | 160.0° | 33.5° |
| H192 | C19 | C20 | N21 | 175.6° | 33.9° |
| H192 | C19 | C20 | H201 | 59.1° | 153.7° |
| H192 | C19 | C20 | H202 | 50.4° | 85.8° |
| N21 | C20 | H201 | H202 | 113.6° | 120.5° |
| C20 | N21 | C22 | C23 | 172.6° | 179.9° |
| C20 | N21 | C22 | O25 | 172.6° | 179.7° |
| C20 | N21 | C23 | C24 | 68.5° | 90.0° |
| C20 | N21 | C23 | H231 | 166.2° | 30.0° |
| C20 | N21 | C23 | H232 | 56.7° | 150.0° |
| H201 | C20 | N21 | C22 | 119.9° | 47.6° |
| H201 | C20 | N21 | C23 | 66.8° | 132.3° |
| H202 | C20 | N21 | C22 | 130.7° | 168.2° |
| H202 | C20 | N21 | C23 | 42.7° | 11.7° |
| C22 | N21 | C23 | C24 | 105.6° | 89.9° |
| C22 | N21 | C23 | H231 | 19.7° | 150.2° |
| C22 | N21 | C23 | H232 | 129.2° | 30.1° |
| C23 | N21 | C22 | O25 | 0.0° | 0.2° |
| N21 | C23 | C24 | H231 | 125.2° | 120.0° |
| N21 | C23 | C24 | H232 | 125.3° | 120.1° |
| N21 | C23 | H231 | H232 | 118.5° | 120.1° |
| N21 | C23 | C24 | C27 | 73.3° | 90.3° |
| N21 | C23 | C24 | C31 | 101.4° | 90.0° |
| C24 | C23 | H231 | H232 | 118.5° | 120.0° |
| C23 | C24 | C27 | C31 | 174.7° | 179.7° |
| C23 | C24 | C27 | C28 | 170.2° | 179.7° |
| C23 | C24 | C27 | H27 | 9.9° | 0.3° |
| C23 | C24 | C31 | C30 | 170.9° | 180.0° |
| C23 | C24 | C31 | H31 | 9.1° | 0.0° |
| H231 | C23 | C24 | C27 | 52.0° | 29.7° |
| H231 | C23 | C24 | C31 | 133.4° | 150.0° |
| H232 | C23 | C24 | C27 | 161.5° | 149.6° |
| H232 | C23 | C24 | C31 | 23.9° | 30.1° |
| C24 | C27 | C28 | H27 | 180.0° | 179.4° |
| C24 | C27 | C28 | C29 | 1.6° | 0.6° |
| C24 | C27 | C28 | H28 | 178.4° | 179.7° |
| C27 | C24 | C31 | C30 | 3.4° | 0.3° |
| C27 | C24 | C31 | H31 | 176.6° | 179.7° |
| C31 | C24 | C27 | C28 | 4.5° | 0.6° |
| C31 | C24 | C27 | H27 | 175.4° | 180.0° |
| C24 | C31 | C30 | C29 | 0.6° | 0.1° |
| C24 | C31 | C30 | H31 | 180.0° | 180.0° |
| C24 | C31 | C30 | H30 | 179.4° | 180.0° |
| O73 | P26 | O74 | O75 | 121.5° | 120.0° |
| O73 | P26 | O74 | H74 | 52.6° | 60.0° |
| O73 | P26 | O75 | H75 | 51.3° | 176.4° |
| O74 | P26 | O75 | H75 | 59.5° | 56.5° |
| O75 | P26 | O74 | H74 | 68.9° | 60.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 2.4° | 0.3° |
| C27 | C28 | C29 | C32 | 179.6° | 179.8° |
| H27 | C27 | C28 | C29 | 178.3° | 180.0° |
| H27 | C27 | C28 | H28 | 1.7° | 0.3° |
| C28 | C29 | C30 | C32 | 177.1° | 179.9° |
| C28 | C29 | C30 | C31 | 3.5° | 0.1° |
| C28 | C29 | C30 | H30 | 176.5° | 180.0° |
| C28 | C29 | C32 | C59 | 138.3° | 140.0° |
| C28 | C29 | C32 | C63 | 36.0° | 39.8° |
| H28 | C28 | C29 | C30 | 177.7° | 180.0° |
| H28 | C28 | C29 | C32 | 0.4° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | H31 | 179.4° | 179.9° |
| C30 | C29 | C32 | C59 | 38.9° | 40.0° |
| C30 | C29 | C32 | C63 | 146.7° | 140.3° |
| C32 | C29 | C30 | C31 | 179.4° | 180.0° |
| C32 | C29 | C30 | H30 | 0.6° | 0.1° |
| C29 | C32 | C59 | C63 | 174.5° | 179.7° |
| C29 | C32 | C59 | C60 | 170.0° | 179.6° |
| C29 | C32 | C59 | H59 | 10.0° | 0.3° |
| C29 | C32 | C63 | C62 | 170.1° | 180.0° |
| C29 | C32 | C63 | H63 | 9.9° | 0.1° |
| H30 | C30 | C31 | H31 | 0.6° | 0.0° |
| C32 | C59 | C60 | H59 | 180.0° | 179.4° |
| C32 | C59 | C60 | C61 | 0.4° | 0.7° |
| C32 | C59 | C60 | H60 | 179.5° | 179.7° |
| C59 | C32 | C63 | C62 | 4.3° | 0.3° |
| C59 | C32 | C63 | H63 | 175.7° | 179.8° |
| C63 | C32 | C59 | C60 | 4.5° | 0.6° |
| C63 | C32 | C59 | H59 | 175.5° | 180.0° |
| C32 | C63 | C62 | C61 | 0.1° | 0.0° |
| C32 | C63 | C62 | H63 | 180.0° | 179.9° |
| C32 | C63 | C62 | H62 | 179.9° | 180.0° |
| C59 | C60 | C61 | H60 | 180.0° | 179.7° |
| C59 | C60 | C61 | C62 | 4.1° | 0.4° |
| C59 | C60 | C61 | H61 | 175.9° | 179.7° |
| H59 | C59 | C60 | C61 | 179.6° | 179.9° |
| H59 | C59 | C60 | H60 | 0.5° | 0.3° |
| C60 | C61 | C62 | H61 | 180.0° | 179.9° |
| C60 | C61 | C62 | C63 | 4.4° | 0.0° |
| C60 | C61 | C62 | H62 | 175.6° | 179.9° |
| H60 | C60 | C61 | C62 | 175.9° | 180.0° |
| H60 | C60 | C61 | H61 | 4.1° | 0.0° |
| C61 | C62 | C63 | H62 | 180.0° | 180.0° |
| C61 | C62 | C63 | H63 | 179.9° | 179.9° |
| H61 | C61 | C62 | C63 | 175.6° | 180.0° |
| H61 | C61 | C62 | H62 | 4.4° | 0.0° |
| H62 | C62 | C63 | H63 | 0.2° | 0.1° |
| O70 | P69 | O71 | O72 | 116.3° | 120.0° |
| O70 | P69 | O72 | H72 | 59.7° | 60.0° |
| O71 | P69 | O70 | H70 | 44.0° | 59.9° |
| O71 | P69 | O72 | H72 | 63.7° | 180.0° |
| O72 | P69 | O70 | H70 | 78.9° | 60.1° |
