901
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C24 | sing | 1.35Å | 1.23Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C24 | O7 | doub | 1.21Å | 1.20Å | |
| C24 | C8 | sing | 1.49Å | 1.56Å | |
| C8 | O5 | doub | 1.21Å | 1.24Å | |
| C8 | N4 | sing | 1.35Å | 1.45Å | |
| N4 | C26 | sing | 1.39Å | 1.42Å | |
| N4 | C2 | sing | 1.40Å | 1.43Å | |
| C26 | C27 | doub | 1.39Å | 1.45Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.49Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C25 | doub | 1.40Å | 1.44Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C25 | C31 | sing | 1.47Å | 1.51Å | |
| C31 | O9 | doub | 1.21Å | 1.23Å | |
| C31 | O10 | sing | 1.35Å | 1.19Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.39Å | 1.45Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.51Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.61Å | |
| C6 | C1 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1 | C32 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C33 | H333 | sing | 1.09Å | 1.11Å | |
| C7 | C9 | sing | 1.53Å | 1.60Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C9 | N1 | sing | 1.46Å | 1.45Å | |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| N1 | C10 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C10 | O4 | doub | 1.21Å | 1.32Å | |
| C10 | C23 | sing | 1.51Å | 1.47Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C11 | O8 | doub | 1.21Å | 1.25Å | |
| C11 | N2 | sing | 1.35Å | 1.28Å | |
| N2 | C12 | sing | 1.47Å | 1.42Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C14 | C16 | sing | 1.51Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C16 | O1 | doub | 1.21Å | 1.23Å | |
| C16 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C17 | sing | 1.46Å | 1.47Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C17 | C22 | sing | 1.51Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C22 | O2 | doub | 1.21Å | 1.23Å | |
| C22 | O3 | sing | 1.34Å | 1.21Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C18 | C34 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C34 | S1 | sing | 1.81Å | 1.81Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| S1 | C35 | sing | 1.81Å | 1.58Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C35 | H353 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O6 | HO6 | 119.7° | 120.0° |
| O6 | C24 | O7 | 119.7° | 120.0° |
| O6 | C24 | C8 | 120.4° | 120.0° |
| O7 | C24 | C8 | 119.9° | 120.0° |
| C24 | C8 | O5 | 115.3° | 120.0° |
| C24 | C8 | N4 | 121.7° | 120.0° |
| O5 | C8 | N4 | 123.0° | 119.9° |
| C8 | N4 | C26 | 121.3° | 120.0° |
| C8 | N4 | C2 | 118.8° | 120.0° |
| C26 | N4 | C2 | 119.7° | 120.0° |
| N4 | C26 | C27 | 115.6° | 120.2° |
| N4 | C26 | C25 | 127.6° | 120.2° |
| N4 | C2 | C3 | 116.0° | 120.1° |
| N4 | C2 | C1 | 125.5° | 120.1° |
| C27 | C26 | C25 | 116.8° | 119.6° |
| C26 | C27 | C28 | 122.5° | 120.1° |
| C26 | C27 | H27 | 120.3° | 120.0° |
| C26 | C25 | C30 | 118.1° | 119.6° |
| C26 | C25 | C31 | 128.1° | 120.2° |
| C28 | C27 | H27 | 117.1° | 119.9° |
| C27 | C28 | C29 | 120.4° | 120.4° |
| C27 | C28 | H28 | 119.8° | 119.8° |
| C29 | C28 | H28 | 119.8° | 119.8° |
| C28 | C29 | C30 | 120.0° | 120.3° |
| C28 | C29 | H29 | 119.9° | 119.8° |
| C30 | C29 | H29 | 120.1° | 119.8° |
| C29 | C30 | C25 | 122.1° | 119.9° |
| C29 | C30 | H30 | 117.7° | 120.1° |
| C25 | C30 | H30 | 120.2° | 120.0° |
| C30 | C25 | C31 | 113.7° | 120.2° |
| C25 | C31 | O9 | 122.7° | 120.0° |
| C25 | C31 | O10 | 121.8° | 120.0° |
| O9 | C31 | O10 | 115.5° | 120.0° |
| C31 | O10 | H10 | 121.7° | 120.0° |
| C3 | C2 | C1 | 118.5° | 119.9° |
| C2 | C3 | C4 | 125.3° | 119.9° |
| C2 | C3 | H3 | 118.2° | 120.1° |
| C2 | C1 | C6 | 115.7° | 120.0° |
| C2 | C1 | C32 | 120.8° | 120.0° |
| C4 | C3 | H3 | 116.5° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.1° |
| C3 | C4 | H4 | 120.0° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 114.1° | 120.2° |
| C4 | C5 | C7 | 130.5° | 119.9° |
| C6 | C5 | C7 | 115.2° | 119.9° |
| C5 | C6 | C1 | 126.3° | 120.0° |
| C5 | C6 | H6 | 119.0° | 120.0° |
| C5 | C7 | C9 | 101.4° | 109.5° |
| C5 | C7 | H71 | 115.3° | 109.5° |
| C5 | C7 | H72 | 115.3° | 109.5° |
| C1 | C6 | H6 | 114.7° | 119.9° |
| C6 | C1 | C32 | 123.5° | 120.0° |
| C1 | C32 | C33 | 115.2° | 109.5° |
| C1 | C32 | H321 | 110.1° | 109.4° |
| C1 | C32 | H322 | 110.1° | 109.5° |
| C33 | C32 | H321 | 110.2° | 109.5° |
| C33 | C32 | H322 | 110.2° | 109.4° |
| C32 | C33 | H331 | 115.1° | 109.5° |
| C32 | C33 | H332 | 110.1° | 109.4° |
| C32 | C33 | H333 | 110.1° | 109.5° |
| H321 | C32 | H322 | 100.1° | 109.5° |
| H331 | C33 | H332 | 110.1° | 109.4° |
| H331 | C33 | H333 | 110.2° | 109.5° |
| H332 | C33 | H333 | 100.1° | 109.5° |
| C9 | C7 | H71 | 115.2° | 109.4° |
| C9 | C7 | H72 | 115.3° | 109.5° |
| C7 | C9 | N1 | 108.5° | 109.5° |
| C7 | C9 | C11 | 121.6° | 109.5° |
| C7 | C9 | H9 | 106.1° | 109.4° |
| H71 | C7 | H72 | 95.2° | 109.5° |
| N1 | C9 | C11 | 119.5° | 109.5° |
| N1 | C9 | H9 | 109.2° | 109.5° |
| C9 | N1 | C10 | 162.3° | 120.0° |
| C9 | N1 | HN1 | 113.1° | 120.0° |
| C11 | C9 | H9 | 88.4° | 109.5° |
| C9 | C11 | O8 | 105.8° | 120.0° |
| C9 | C11 | N2 | 123.3° | 120.0° |
| C10 | N1 | HN1 | 84.6° | 120.0° |
| N1 | C10 | O4 | 109.0° | 120.0° |
| N1 | C10 | C23 | 127.4° | 120.0° |
| O4 | C10 | C23 | 122.2° | 120.0° |
| C10 | C23 | H231 | 127.4° | 109.5° |
| C10 | C23 | H232 | 105.9° | 109.5° |
| C10 | C23 | H233 | 105.9° | 109.5° |
| H231 | C23 | H232 | 105.9° | 109.5° |
| H231 | C23 | H233 | 106.0° | 109.5° |
| H232 | C23 | H233 | 103.5° | 109.4° |
| O8 | C11 | N2 | 130.6° | 120.0° |
| C11 | N2 | C12 | 121.6° | 120.0° |
| C11 | N2 | HN2 | 113.9° | 120.0° |
| C12 | N2 | HN2 | 124.5° | 120.0° |
| N2 | C12 | C13 | 109.4° | 109.5° |
| N2 | C12 | H121 | 112.3° | 109.5° |
| N2 | C12 | H122 | 112.3° | 109.4° |
| C13 | C12 | H121 | 112.2° | 109.5° |
| C13 | C12 | H122 | 112.3° | 109.5° |
| C12 | C13 | C15 | 113.5° | 109.5° |
| C12 | C13 | H131 | 110.7° | 109.5° |
| C12 | C13 | H132 | 110.7° | 109.4° |
| H121 | C12 | H122 | 98.1° | 109.5° |
| C15 | C13 | H131 | 110.7° | 109.5° |
| C15 | C13 | H132 | 110.7° | 109.5° |
| C13 | C15 | C14 | 114.4° | 109.5° |
| C13 | C15 | H151 | 110.4° | 109.5° |
| C13 | C15 | H152 | 110.4° | 109.5° |
| H131 | C13 | H132 | 99.6° | 109.5° |
| C14 | C15 | H151 | 110.4° | 109.4° |
| C14 | C15 | H152 | 110.4° | 109.5° |
| C15 | C14 | C16 | 113.1° | 109.5° |
| C15 | C14 | H141 | 110.9° | 109.5° |
| C15 | C14 | H142 | 110.9° | 109.5° |
| H151 | C15 | H152 | 99.9° | 109.4° |
| C16 | C14 | H141 | 110.9° | 109.4° |
| C16 | C14 | H142 | 110.9° | 109.5° |
| C14 | C16 | O1 | 133.8° | 120.0° |
| C14 | C16 | N3 | 100.8° | 120.1° |
| H141 | C14 | H142 | 99.5° | 109.4° |
| O1 | C16 | N3 | 125.4° | 119.9° |
| C16 | N3 | C17 | 122.3° | 120.0° |
| C16 | N3 | HN3 | 114.8° | 120.0° |
| C17 | N3 | HN3 | 122.9° | 120.0° |
| N3 | C17 | C22 | 110.0° | 109.5° |
| N3 | C17 | C18 | 109.2° | 109.5° |
| N3 | C17 | H17 | 109.6° | 109.5° |
| C22 | C17 | C18 | 110.3° | 109.4° |
| C22 | C17 | H17 | 108.5° | 109.5° |
| C17 | C22 | O2 | 119.7° | 120.0° |
| C17 | C22 | O3 | 120.1° | 120.0° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C17 | C18 | C34 | 113.7° | 109.5° |
| C17 | C18 | H181 | 110.7° | 109.5° |
| C17 | C18 | H182 | 110.6° | 109.4° |
| O2 | C22 | O3 | 120.2° | 120.0° |
| C22 | O3 | HO3 | 120.1° | 120.0° |
| C34 | C18 | H181 | 110.7° | 109.5° |
| C34 | C18 | H182 | 110.7° | 109.4° |
| C18 | C34 | S1 | 112.7° | 109.5° |
| C18 | C34 | H341 | 111.0° | 109.5° |
| C18 | C34 | H342 | 111.0° | 109.4° |
| H181 | C18 | H182 | 99.6° | 109.5° |
| S1 | C34 | H341 | 111.0° | 109.5° |
| S1 | C34 | H342 | 111.0° | 109.5° |
| C34 | S1 | C35 | 138.8° | 100.0° |
| H341 | C34 | H342 | 99.4° | 109.4° |
| S1 | C35 | H351 | 138.9° | 109.5° |
| S1 | C35 | H352 | 102.3° | 109.5° |
| S1 | C35 | H353 | 102.2° | 109.5° |
| H351 | C35 | H352 | 102.2° | 109.5° |
| H351 | C35 | H353 | 102.2° | 109.4° |
| H352 | C35 | H353 | 105.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C24 | O7 | C8 | 178.9° | 180.0° |
| O6 | C24 | C8 | O5 | 103.5° | 0.0° |
| O6 | C24 | C8 | N4 | 76.4° | 180.0° |
| HO6 | O6 | C24 | O7 | 180.0° | 0.0° |
| HO6 | O6 | C24 | C8 | 1.1° | 180.0° |
| O7 | C24 | C8 | O5 | 77.6° | 180.0° |
| O7 | C24 | C8 | N4 | 102.5° | 0.0° |
| C24 | C8 | O5 | N4 | 179.9° | 180.0° |
| C24 | C8 | N4 | C26 | 177.8° | 180.0° |
| C24 | C8 | N4 | C2 | 7.7° | 0.0° |
| O5 | C8 | N4 | C26 | 2.0° | 0.0° |
| O5 | C8 | N4 | C2 | 172.5° | 180.0° |
| C8 | N4 | C26 | C2 | 174.4° | 180.0° |
| C8 | N4 | C26 | C27 | 127.5° | 96.8° |
| C8 | N4 | C26 | C25 | 51.7° | 82.9° |
| C8 | N4 | C2 | C3 | 69.7° | 95.8° |
| C8 | N4 | C2 | C1 | 108.6° | 83.7° |
| N4 | C26 | C27 | C25 | 179.3° | 179.8° |
| N4 | C26 | C27 | C28 | 179.8° | 180.0° |
| N4 | C26 | C27 | H27 | 0.2° | 0.0° |
| N4 | C26 | C25 | C30 | 179.9° | 179.7° |
| N4 | C26 | C25 | C31 | 1.4° | 0.3° |
| C26 | N4 | C2 | C3 | 104.9° | 84.2° |
| C26 | N4 | C2 | C1 | 76.8° | 96.4° |
| C2 | N4 | C26 | C27 | 46.9° | 83.2° |
| C2 | N4 | C26 | C25 | 133.8° | 97.0° |
| N4 | C2 | C3 | C1 | 178.4° | 179.5° |
| N4 | C2 | C3 | C4 | 179.1° | 180.0° |
| N4 | C2 | C3 | H3 | 0.9° | 0.2° |
| N4 | C2 | C1 | C6 | 178.5° | 180.0° |
| N4 | C2 | C1 | C32 | 1.8° | 0.2° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C26 | C27 | C28 | H28 | 179.3° | 180.0° |
| C27 | C26 | C25 | C30 | 0.9° | 0.5° |
| C27 | C26 | C25 | C31 | 179.4° | 180.0° |
| C25 | C26 | C27 | C28 | 0.9° | 0.2° |
| C25 | C26 | C27 | H27 | 179.1° | 179.8° |
| C26 | C25 | C30 | C29 | 0.8° | 0.5° |
| C26 | C25 | C30 | C31 | 178.7° | 179.5° |
| C26 | C25 | C30 | H30 | 179.2° | 179.7° |
| C26 | C25 | C31 | O9 | 179.9° | 6.6° |
| C26 | C25 | C31 | O10 | 0.3° | 173.5° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C27 | C28 | C29 | H29 | 179.5° | 180.0° |
| H27 | C27 | C28 | C29 | 179.3° | 180.0° |
| H27 | C27 | C28 | H28 | 0.6° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C25 | 0.6° | 0.3° |
| C28 | C29 | C30 | H30 | 179.4° | 180.0° |
| H28 | C28 | C29 | C30 | 179.5° | 180.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.0° |
| C29 | C30 | C25 | H30 | 180.0° | 179.7° |
| C29 | C30 | C25 | C31 | 179.5° | 180.0° |
| H29 | C29 | C30 | C25 | 179.4° | 179.8° |
| H29 | C29 | C30 | H30 | 0.6° | 0.1° |
| C30 | C25 | C31 | O9 | 1.4° | 174.0° |
| C30 | C25 | C31 | O10 | 178.8° | 6.0° |
| H30 | C30 | C25 | C31 | 0.5° | 0.3° |
| C25 | C31 | O9 | O10 | 179.8° | 179.9° |
| C25 | C31 | O10 | H10 | 180.0° | 175.0° |
| O9 | C31 | O10 | H10 | 0.2° | 5.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 1.0° | 0.2° |
| C2 | C3 | C4 | H4 | 178.9° | 179.7° |
| C3 | C2 | C1 | C6 | 0.3° | 0.6° |
| C3 | C2 | C1 | C32 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.7° | 0.5° |
| C1 | C2 | C3 | H3 | 179.3° | 179.7° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | C32 | 179.7° | 179.7° |
| C2 | C1 | C6 | H6 | 179.7° | 179.8° |
| C2 | C1 | C32 | C33 | 127.5° | 101.7° |
| C2 | C1 | C32 | H321 | 2.2° | 138.3° |
| C2 | C1 | C32 | H322 | 107.2° | 18.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.9° | 0.1° |
| C3 | C4 | C5 | C7 | 176.7° | 180.0° |
| H3 | C3 | C4 | C5 | 179.0° | 180.0° |
| H3 | C3 | C4 | H4 | 1.0° | 0.1° |
| C4 | C5 | C6 | C7 | 176.5° | 179.9° |
| C4 | C5 | C6 | C1 | 0.5° | 0.1° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C4 | C5 | C7 | C9 | 87.0° | 90.0° |
| C4 | C5 | C7 | H71 | 38.2° | 150.0° |
| C4 | C5 | C7 | H72 | 147.8° | 29.9° |
| H4 | C4 | C5 | C6 | 179.1° | 180.0° |
| H4 | C4 | C5 | C7 | 3.2° | 0.1° |
| C5 | C6 | C1 | H6 | 179.9° | 180.0° |
| C5 | C6 | C1 | C32 | 179.9° | 180.0° |
| C6 | C5 | C7 | C9 | 88.9° | 90.0° |
| C6 | C5 | C7 | H71 | 145.9° | 29.9° |
| C6 | C5 | C7 | H72 | 36.4° | 150.0° |
| C7 | C5 | C6 | C1 | 177.0° | 180.0° |
| C7 | C5 | C6 | H6 | 2.9° | 0.0° |
| C5 | C7 | C9 | H71 | 125.3° | 120.0° |
| C5 | C7 | C9 | H72 | 125.3° | 120.0° |
| C5 | C7 | H71 | H72 | 121.2° | 120.0° |
| C5 | C7 | C9 | N1 | 152.3° | 60.0° |
| C5 | C7 | C9 | C11 | 63.1° | 180.0° |
| C5 | C7 | C9 | H9 | 35.1° | 60.0° |
| C6 | C1 | C32 | C33 | 52.8° | 78.6° |
| C6 | C1 | C32 | H321 | 178.1° | 41.4° |
| C6 | C1 | C32 | H322 | 72.5° | 161.5° |
| H6 | C6 | C1 | C32 | 0.0° | 0.0° |
| C1 | C32 | C33 | H321 | 125.3° | 120.0° |
| C1 | C32 | C33 | H322 | 125.2° | 120.0° |
| C1 | C32 | H321 | H322 | 115.9° | 120.0° |
| C1 | C32 | C33 | H331 | 180.0° | 179.7° |
| C1 | C32 | C33 | H332 | 54.7° | 59.8° |
| C1 | C32 | C33 | H333 | 54.7° | 60.3° |
| C33 | C32 | H321 | H322 | 116.0° | 120.0° |
| C32 | C33 | H331 | H332 | 125.2° | 119.9° |
| C32 | C33 | H331 | H333 | 125.3° | 120.0° |
| C32 | C33 | H332 | H333 | 115.9° | 120.0° |
| H321 | C32 | C33 | H331 | 54.8° | 59.7° |
| H321 | C32 | C33 | H332 | 180.0° | 60.2° |
| H321 | C32 | C33 | H333 | 70.5° | 179.8° |
| H322 | C32 | C33 | H331 | 54.7° | 60.3° |
| H322 | C32 | C33 | H332 | 70.5° | 179.8° |
| H322 | C32 | C33 | H333 | 180.0° | 59.7° |
| H331 | C33 | H332 | H333 | 116.0° | 120.0° |
| C9 | C7 | H71 | H72 | 121.1° | 120.0° |
| C7 | C9 | N1 | C11 | 145.4° | 120.0° |
| C7 | C9 | N1 | H9 | 115.2° | 120.0° |
| C7 | C9 | C11 | H9 | 108.0° | 120.0° |
| C7 | C9 | N1 | C10 | 43.7° | 60.1° |
| C7 | C9 | N1 | HN1 | 136.3° | 120.0° |
| C7 | C9 | C11 | O8 | 104.8° | 90.0° |
| C7 | C9 | C11 | N2 | 81.6° | 90.0° |
| H71 | C7 | C9 | N1 | 82.4° | 60.1° |
| H71 | C7 | C9 | C11 | 62.1° | 60.0° |
| H71 | C7 | C9 | H9 | 160.3° | 180.0° |
| H72 | C7 | C9 | N1 | 27.0° | 180.0° |
| H72 | C7 | C9 | C11 | 171.6° | 60.0° |
| H72 | C7 | C9 | H9 | 90.2° | 60.0° |
| N1 | C9 | C11 | H9 | 111.3° | 120.0° |
| C9 | N1 | C10 | HN1 | 180.0° | 179.9° |
| C9 | N1 | C10 | O4 | 170.1° | 0.1° |
| C9 | N1 | C10 | C23 | 3.2° | 180.0° |
| N1 | C9 | C11 | O8 | 114.4° | 30.0° |
| N1 | C9 | C11 | N2 | 59.2° | 150.0° |
| C11 | C9 | N1 | C10 | 101.7° | 60.0° |
| C11 | C9 | N1 | HN1 | 78.3° | 120.0° |
| C9 | C11 | O8 | N2 | 173.0° | 180.0° |
| C9 | C11 | N2 | C12 | 172.7° | 180.0° |
| C9 | C11 | N2 | HN2 | 7.3° | 0.0° |
| H9 | C9 | N1 | C10 | 158.9° | 180.0° |
| H9 | C9 | N1 | HN1 | 21.1° | 0.0° |
| H9 | C9 | C11 | O8 | 3.1° | 150.0° |
| H9 | C9 | C11 | N2 | 170.5° | 30.0° |
| N1 | C10 | O4 | C23 | 167.7° | 179.9° |
| N1 | C10 | C23 | H231 | 180.0° | 180.0° |
| N1 | C10 | C23 | H232 | 54.8° | 59.9° |
| N1 | C10 | C23 | H233 | 54.7° | 60.0° |
| HN1 | N1 | C10 | O4 | 9.9° | 180.0° |
| HN1 | N1 | C10 | C23 | 176.8° | 0.1° |
| O4 | C10 | C23 | H231 | 14.7° | 0.0° |
| O4 | C10 | C23 | H232 | 139.9° | 120.0° |
| O4 | C10 | C23 | H233 | 110.6° | 120.1° |
| C10 | C23 | H231 | H232 | 125.2° | 120.1° |
| C10 | C23 | H231 | H233 | 125.3° | 120.0° |
| C10 | C23 | H232 | H233 | 111.2° | 120.0° |
| H231 | C23 | H232 | H233 | 111.3° | 119.9° |
| O8 | C11 | N2 | C12 | 0.8° | 0.0° |
| O8 | C11 | N2 | HN2 | 179.2° | 180.0° |
| C11 | N2 | C12 | HN2 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 137.1° | 180.0° |
| C11 | N2 | C12 | H121 | 97.6° | 60.0° |
| C11 | N2 | C12 | H122 | 11.8° | 60.0° |
| N2 | C12 | C13 | H121 | 125.3° | 120.0° |
| N2 | C12 | C13 | H122 | 125.3° | 120.0° |
| N2 | C12 | H121 | H122 | 118.2° | 119.9° |
| N2 | C12 | C13 | C15 | 65.6° | 180.0° |
| N2 | C12 | C13 | H131 | 59.6° | 60.0° |
| N2 | C12 | C13 | H132 | 169.1° | 60.0° |
| HN2 | N2 | C12 | C13 | 42.9° | 0.0° |
| HN2 | N2 | C12 | H121 | 82.4° | 120.0° |
| HN2 | N2 | C12 | H122 | 168.2° | 120.0° |
| C13 | C12 | H121 | H122 | 118.1° | 120.0° |
| C12 | C13 | C15 | H131 | 125.3° | 120.0° |
| C12 | C13 | C15 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 116.6° | 120.0° |
| C12 | C13 | C15 | C14 | 179.6° | 180.0° |
| C12 | C13 | C15 | H151 | 54.4° | 60.0° |
| C12 | C13 | C15 | H152 | 55.1° | 60.0° |
| H121 | C12 | C13 | C15 | 169.1° | 60.0° |
| H121 | C12 | C13 | H131 | 65.7° | 180.0° |
| H121 | C12 | C13 | H132 | 43.8° | 60.0° |
| H122 | C12 | C13 | C15 | 59.7° | 60.0° |
| H122 | C12 | C13 | H131 | 175.0° | 60.0° |
| H122 | C12 | C13 | H132 | 65.6° | 180.0° |
| C15 | C13 | H131 | H132 | 116.6° | 120.0° |
| C13 | C15 | C14 | H151 | 125.2° | 120.0° |
| C13 | C15 | C14 | H152 | 125.2° | 120.1° |
| C13 | C15 | H151 | H152 | 116.2° | 120.1° |
| C13 | C15 | C14 | C16 | 73.8° | 180.0° |
| C13 | C15 | C14 | H141 | 160.9° | 60.0° |
| C13 | C15 | C14 | H142 | 51.4° | 60.0° |
| H131 | C13 | C15 | C14 | 55.1° | 60.0° |
| H131 | C13 | C15 | H151 | 179.6° | 179.9° |
| H131 | C13 | C15 | H152 | 70.2° | 60.1° |
| H132 | C13 | C15 | C14 | 54.4° | 60.0° |
| H132 | C13 | C15 | H151 | 70.9° | 59.9° |
| H132 | C13 | C15 | H152 | 179.7° | 179.9° |
| C14 | C15 | H151 | H152 | 116.3° | 120.0° |
| C15 | C14 | C16 | H141 | 125.3° | 120.0° |
| C15 | C14 | C16 | H142 | 125.2° | 120.1° |
| C15 | C14 | H141 | H142 | 116.8° | 120.0° |
| C15 | C14 | C16 | O1 | 54.8° | 0.0° |
| C15 | C14 | C16 | N3 | 124.4° | 180.0° |
| H151 | C15 | C14 | C16 | 51.4° | 60.0° |
| H151 | C15 | C14 | H141 | 73.9° | 180.0° |
| H151 | C15 | C14 | H142 | 176.6° | 60.0° |
| H152 | C15 | C14 | C16 | 160.9° | 59.9° |
| H152 | C15 | C14 | H141 | 35.7° | 60.1° |
| H152 | C15 | C14 | H142 | 73.8° | 180.0° |
| C16 | C14 | H141 | H142 | 116.8° | 119.9° |
| C14 | C16 | O1 | N3 | 179.1° | 180.0° |
| C14 | C16 | N3 | C17 | 175.1° | 180.0° |
| C14 | C16 | N3 | HN3 | 4.8° | 0.0° |
| H141 | C14 | C16 | O1 | 70.4° | 120.0° |
| H141 | C14 | C16 | N3 | 110.3° | 60.0° |
| H142 | C14 | C16 | O1 | 179.9° | 120.1° |
| H142 | C14 | C16 | N3 | 0.8° | 59.9° |
| O1 | C16 | N3 | C17 | 4.2° | 0.0° |
| O1 | C16 | N3 | HN3 | 175.8° | 180.0° |
| C16 | N3 | C17 | HN3 | 180.0° | 180.0° |
| C16 | N3 | C17 | C22 | 60.9° | 90.0° |
| C16 | N3 | C17 | C18 | 178.0° | 150.0° |
| C16 | N3 | C17 | H17 | 58.3° | 30.0° |
| N3 | C17 | C22 | C18 | 120.5° | 120.0° |
| N3 | C17 | C22 | H17 | 119.9° | 120.0° |
| N3 | C17 | C18 | H17 | 119.9° | 120.1° |
| N3 | C17 | C22 | O2 | 132.0° | 150.0° |
| N3 | C17 | C22 | O3 | 46.9° | 30.0° |
| N3 | C17 | C18 | C34 | 66.2° | 60.0° |
| N3 | C17 | C18 | H181 | 59.1° | 179.9° |
| N3 | C17 | C18 | H182 | 168.6° | 60.0° |
| HN3 | N3 | C17 | C22 | 119.1° | 90.0° |
| HN3 | N3 | C17 | C18 | 2.0° | 30.0° |
| HN3 | N3 | C17 | H17 | 121.7° | 150.0° |
| C22 | C17 | C18 | H17 | 119.2° | 119.9° |
| C17 | C22 | O2 | O3 | 178.9° | 179.9° |
| C17 | C22 | O3 | HO3 | 180.0° | 180.0° |
| C22 | C17 | C18 | C34 | 172.9° | 180.0° |
| C22 | C17 | C18 | H181 | 61.8° | 59.9° |
| C22 | C17 | C18 | H182 | 47.6° | 60.0° |
| C18 | C17 | C22 | O2 | 107.5° | 90.0° |
| C18 | C17 | C22 | O3 | 73.6° | 90.1° |
| C17 | C18 | C34 | H181 | 125.3° | 120.1° |
| C17 | C18 | C34 | H182 | 125.2° | 119.9° |
| C17 | C18 | H181 | H182 | 116.5° | 120.0° |
| C17 | C18 | C34 | S1 | 81.6° | 180.0° |
| C17 | C18 | C34 | H341 | 43.7° | 59.9° |
| C17 | C18 | C34 | H342 | 153.2° | 60.0° |
| H17 | C17 | C22 | O2 | 12.1° | 29.9° |
| H17 | C17 | C22 | O3 | 166.8° | 150.0° |
| H17 | C17 | C18 | C34 | 53.7° | 60.1° |
| H17 | C17 | C18 | H181 | 179.0° | 60.0° |
| H17 | C17 | C18 | H182 | 71.5° | 180.0° |
| O2 | C22 | O3 | HO3 | 1.1° | 0.0° |
| C34 | C18 | H181 | H182 | 116.5° | 120.0° |
| C18 | C34 | S1 | H341 | 125.2° | 120.0° |
| C18 | C34 | S1 | H342 | 125.2° | 120.0° |
| C18 | C34 | H341 | H342 | 116.9° | 119.9° |
| C18 | C34 | S1 | C35 | 47.5° | 180.0° |
| H181 | C18 | C34 | S1 | 153.2° | 60.0° |
| H181 | C18 | C34 | H341 | 81.6° | 180.0° |
| H181 | C18 | C34 | H342 | 27.9° | 60.1° |
| H182 | C18 | C34 | S1 | 43.7° | 60.0° |
| H182 | C18 | C34 | H341 | 169.0° | 60.0° |
| H182 | C18 | C34 | H342 | 81.6° | 179.9° |
| S1 | C34 | H341 | H342 | 116.9° | 120.1° |
| C34 | S1 | C35 | H351 | 180.0° | 180.0° |
| C34 | S1 | C35 | H352 | 54.7° | 60.0° |
| C34 | S1 | C35 | H353 | 54.7° | 60.0° |
| H341 | C34 | S1 | C35 | 172.8° | 60.0° |
| H342 | C34 | S1 | C35 | 77.7° | 60.0° |
| S1 | C35 | H351 | H352 | 125.3° | 120.1° |
| S1 | C35 | H351 | H353 | 125.3° | 120.0° |
| S1 | C35 | H352 | H353 | 106.7° | 120.0° |
| H351 | C35 | H352 | H353 | 106.6° | 120.0° |
