VS4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N3 | sing | 1.35Å | 1.39Å | |
| C8 | O2 | doub | 1.22Å | 1.25Å | |
| C8 | N1 | sing | 1.35Å | 1.40Å | |
| N3 | C39 | sing | 1.47Å | 1.49Å | |
| N3 | C48 | sing | 1.47Å | 1.49Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C40 | N4 | sing | 1.47Å | 1.49Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| N4 | C33 | sing | 1.47Å | 1.47Å | |
| N4 | C49 | sing | 1.47Å | 1.50Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C33 | H333 | sing | 1.09Å | 1.12Å | |
| C49 | C48 | sing | 1.53Å | 1.54Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| N1 | C9 | sing | 1.47Å | 1.49Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C17 | sing | 1.51Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H141 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | O3 | doub | 1.21Å | 1.23Å | |
| C17 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C18 | sing | 1.46Å | 1.45Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | C27 | sing | 1.53Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H231 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H241 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.10Å | |
| C28 | S1 | sing | 1.81Å | 1.67Å | |
| C28 | C27 | sing | 1.53Å | 1.34Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| S1 | N5 | sing | 1.66Å | 1.64Å | |
| S1 | O4 | doub | 1.42Å | 1.42Å | |
| S1 | O5 | doub | 1.42Å | 1.45Å | |
| N5 | O6 | sing | 1.42Å | 1.44Å | |
| N5 | HN51 | sing | 0.97Å | 1.02Å | |
| O6 | C34 | sing | 1.43Å | 1.41Å | |
| C34 | C41 | sing | 1.51Å | 1.49Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | H421 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
| C43 | H431 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.38Å | 1.41Å | Aromatic |
| C44 | H441 | sing | 1.08Å | 1.10Å | |
| C45 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | H451 | sing | 1.08Å | 1.10Å | |
| C46 | H461 | sing | 1.08Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C8 | O2 | 120.5° | 120.0° |
| N3 | C8 | N1 | 118.4° | 120.1° |
| C8 | N3 | C39 | 122.7° | 121.1° |
| C8 | N3 | C48 | 119.6° | 121.0° |
| O2 | C8 | N1 | 121.0° | 120.0° |
| C8 | N1 | C9 | 121.6° | 120.1° |
| C8 | N1 | HN11 | 115.9° | 120.0° |
| C39 | N3 | C48 | 114.9° | 117.9° |
| N3 | C39 | C40 | 110.9° | 108.4° |
| N3 | C39 | H391 | 111.7° | 109.6° |
| N3 | C39 | H392 | 111.7° | 109.7° |
| N3 | C48 | C49 | 110.9° | 108.4° |
| N3 | C48 | H481 | 111.7° | 109.7° |
| N3 | C48 | H482 | 111.7° | 109.7° |
| C40 | C39 | H391 | 111.7° | 109.6° |
| C40 | C39 | H392 | 111.7° | 109.7° |
| C39 | C40 | N4 | 110.4° | 109.5° |
| C39 | C40 | H401 | 111.9° | 109.4° |
| C39 | C40 | H402 | 111.9° | 109.4° |
| H391 | C39 | H392 | 98.7° | 109.7° |
| N4 | C40 | H401 | 111.9° | 109.5° |
| N4 | C40 | H402 | 111.9° | 109.5° |
| C40 | N4 | C33 | 106.8° | 106.7° |
| C40 | N4 | C49 | 110.9° | 107.4° |
| H401 | C40 | H402 | 98.5° | 109.5° |
| C33 | N4 | C49 | 108.7° | 106.7° |
| N4 | C33 | H331 | 106.8° | 109.4° |
| N4 | C33 | H332 | 113.2° | 109.4° |
| N4 | C33 | H333 | 113.3° | 109.5° |
| N4 | C49 | C48 | 110.6° | 109.6° |
| N4 | C49 | H491 | 111.8° | 109.5° |
| N4 | C49 | H492 | 111.7° | 109.5° |
| H331 | C33 | H332 | 113.2° | 109.5° |
| H331 | C33 | H333 | 113.2° | 109.5° |
| H332 | C33 | H333 | 97.2° | 109.5° |
| C48 | C49 | H491 | 111.8° | 109.4° |
| C48 | C49 | H492 | 111.8° | 109.4° |
| C49 | C48 | H481 | 111.7° | 109.7° |
| C49 | C48 | H482 | 111.7° | 109.6° |
| H491 | C49 | H492 | 98.6° | 109.5° |
| H481 | C48 | H482 | 98.8° | 109.7° |
| C9 | N1 | HN11 | 122.6° | 119.9° |
| N1 | C9 | C10 | 114.7° | 109.4° |
| N1 | C9 | C17 | 111.2° | 109.5° |
| N1 | C9 | H91 | 103.5° | 109.4° |
| C10 | C9 | C17 | 105.8° | 109.5° |
| C10 | C9 | H91 | 109.1° | 109.4° |
| C9 | C10 | C11 | 113.3° | 109.5° |
| C9 | C10 | H101 | 110.9° | 109.4° |
| C9 | C10 | H102 | 110.8° | 109.4° |
| C17 | C9 | H91 | 112.8° | 109.6° |
| C9 | C17 | O3 | 122.9° | 120.1° |
| C9 | C17 | N2 | 116.7° | 120.0° |
| C11 | C10 | H101 | 110.8° | 109.4° |
| C11 | C10 | H102 | 110.8° | 109.5° |
| C10 | C11 | C12 | 117.2° | 120.0° |
| C10 | C11 | C16 | 122.4° | 120.0° |
| H101 | C10 | H102 | 99.5° | 109.6° |
| C12 | C11 | C16 | 120.2° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C11 | C16 | C15 | 119.8° | 120.0° |
| C11 | C16 | H161 | 120.1° | 120.0° |
| C13 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C12 | C13 | H131 | 119.8° | 120.0° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | H141 | 120.2° | 120.0° |
| C15 | C14 | H141 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H151 | 119.8° | 120.0° |
| C16 | C15 | H151 | 120.1° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| O3 | C17 | N2 | 120.3° | 120.0° |
| C17 | N2 | C18 | 117.1° | 120.0° |
| C17 | N2 | HN21 | 118.1° | 120.0° |
| C18 | N2 | HN21 | 124.9° | 120.0° |
| N2 | C18 | C19 | 108.6° | 109.4° |
| N2 | C18 | C27 | 115.2° | 109.5° |
| N2 | C18 | H181 | 105.5° | 109.5° |
| C19 | C18 | C27 | 107.8° | 109.5° |
| C19 | C18 | H181 | 113.4° | 109.5° |
| C18 | C19 | C20 | 115.9° | 109.5° |
| C18 | C19 | H191 | 109.9° | 109.5° |
| C18 | C19 | H192 | 109.8° | 109.4° |
| C27 | C18 | H181 | 106.5° | 109.4° |
| C18 | C27 | C28 | 108.6° | 109.4° |
| C18 | C27 | H271 | 112.5° | 109.5° |
| C18 | C27 | H272 | 112.5° | 109.4° |
| C20 | C19 | H191 | 109.9° | 109.6° |
| C20 | C19 | H192 | 109.9° | 109.5° |
| C19 | C20 | C21 | 111.9° | 109.5° |
| C19 | C20 | H201 | 111.3° | 109.5° |
| C19 | C20 | H202 | 111.3° | 109.5° |
| H191 | C19 | H192 | 100.4° | 109.4° |
| C21 | C20 | H201 | 111.3° | 109.4° |
| C21 | C20 | H202 | 111.4° | 109.5° |
| C20 | C21 | C22 | 123.1° | 120.0° |
| C20 | C21 | C26 | 117.6° | 120.0° |
| H201 | C20 | H202 | 99.0° | 109.4° |
| C22 | C21 | C26 | 119.2° | 120.0° |
| C21 | C22 | C23 | 120.1° | 120.0° |
| C21 | C22 | H221 | 120.1° | 120.0° |
| C21 | C26 | C25 | 120.8° | 120.0° |
| C21 | C26 | H261 | 119.7° | 120.0° |
| C23 | C22 | H221 | 119.8° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C22 | C23 | H231 | 119.7° | 120.0° |
| C24 | C23 | H231 | 120.1° | 119.9° |
| C23 | C24 | C25 | 120.1° | 119.9° |
| C23 | C24 | H241 | 120.2° | 120.0° |
| C25 | C24 | H241 | 119.7° | 120.0° |
| C24 | C25 | C26 | 119.5° | 120.0° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| C26 | C25 | H251 | 120.4° | 120.0° |
| C25 | C26 | H261 | 119.5° | 120.0° |
| S1 | C28 | C27 | 131.2° | 109.5° |
| S1 | C28 | H281 | 104.7° | 109.4° |
| S1 | C28 | H282 | 104.7° | 109.4° |
| C28 | S1 | N5 | 109.9° | 103.2° |
| C28 | S1 | O4 | 99.3° | 111.6° |
| C28 | S1 | O5 | 111.8° | 111.6° |
| C27 | C28 | H281 | 104.6° | 109.5° |
| C27 | C28 | H282 | 104.7° | 109.5° |
| C28 | C27 | H271 | 112.5° | 109.5° |
| C28 | C27 | H272 | 112.5° | 109.5° |
| H281 | C28 | H282 | 104.3° | 109.4° |
| N5 | S1 | O4 | 108.8° | 102.8° |
| N5 | S1 | O5 | 111.3° | 102.8° |
| S1 | N5 | O6 | 120.1° | 120.0° |
| S1 | N5 | HN51 | 108.4° | 120.0° |
| O4 | S1 | O5 | 115.1° | 122.0° |
| O6 | N5 | HN51 | 108.4° | 120.1° |
| N5 | O6 | C34 | 107.1° | 106.8° |
| O6 | C34 | C41 | 109.4° | 109.5° |
| O6 | C34 | H341 | 112.2° | 109.5° |
| O6 | C34 | H342 | 112.3° | 109.4° |
| C41 | C34 | H341 | 112.2° | 109.5° |
| C41 | C34 | H342 | 112.3° | 109.5° |
| C34 | C41 | C42 | 119.7° | 120.0° |
| C34 | C41 | C46 | 119.7° | 120.0° |
| H341 | C34 | H342 | 98.1° | 109.5° |
| C42 | C41 | C46 | 120.5° | 120.0° |
| C41 | C42 | C43 | 119.9° | 120.0° |
| C41 | C42 | H421 | 120.1° | 120.0° |
| C41 | C46 | C45 | 120.2° | 120.0° |
| C41 | C46 | H461 | 119.8° | 120.0° |
| C43 | C42 | H421 | 120.0° | 120.0° |
| C42 | C43 | C44 | 119.5° | 120.0° |
| C42 | C43 | H431 | 120.0° | 120.1° |
| C44 | C43 | H431 | 120.5° | 120.0° |
| C43 | C44 | C45 | 120.5° | 120.0° |
| C43 | C44 | H441 | 119.8° | 120.0° |
| C45 | C44 | H441 | 119.7° | 119.9° |
| C44 | C45 | C46 | 119.4° | 120.0° |
| C44 | C45 | H451 | 120.6° | 120.0° |
| C46 | C45 | H451 | 119.9° | 120.0° |
| C45 | C46 | H461 | 120.0° | 120.0° |
| H271 | C27 | H272 | 97.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C8 | O2 | N1 | 177.4° | 180.0° |
| C8 | N3 | C39 | C48 | 160.8° | 180.0° |
| C8 | N3 | C39 | C40 | 148.5° | 131.0° |
| C8 | N3 | C39 | H391 | 86.3° | 11.3° |
| C8 | N3 | C39 | H392 | 23.2° | 109.3° |
| C8 | N3 | C48 | C49 | 148.2° | 131.0° |
| C8 | N3 | C48 | H481 | 23.0° | 11.3° |
| C8 | N3 | C48 | H482 | 86.6° | 109.3° |
| N3 | C8 | N1 | C9 | 170.9° | 174.6° |
| N3 | C8 | N1 | HN11 | 9.1° | 5.4° |
| O2 | C8 | N3 | C39 | 172.7° | 5.7° |
| O2 | C8 | N3 | C48 | 12.7° | 174.3° |
| O2 | C8 | N1 | C9 | 6.6° | 5.4° |
| O2 | C8 | N1 | HN11 | 173.5° | 174.6° |
| N1 | C8 | N3 | C39 | 4.8° | 174.3° |
| N1 | C8 | N3 | C48 | 164.8° | 5.6° |
| C8 | N1 | C9 | HN11 | 180.0° | 180.0° |
| C8 | N1 | C9 | C10 | 176.4° | 90.0° |
| C8 | N1 | C9 | C17 | 56.5° | 150.0° |
| C8 | N1 | C9 | H91 | 64.9° | 29.9° |
| N3 | C39 | C40 | H391 | 125.3° | 119.7° |
| N3 | C39 | C40 | H392 | 125.3° | 119.7° |
| N3 | C39 | H391 | H392 | 117.6° | 120.5° |
| N3 | C39 | C40 | N4 | 54.3° | 56.0° |
| N3 | C39 | C40 | H401 | 179.6° | 64.0° |
| N3 | C39 | C40 | H402 | 71.0° | 176.1° |
| C39 | N3 | C48 | C49 | 50.3° | 49.0° |
| C39 | N3 | C48 | H481 | 175.5° | 168.7° |
| C39 | N3 | C48 | H482 | 74.9° | 70.7° |
| C48 | N3 | C39 | C40 | 50.7° | 49.0° |
| C48 | N3 | C39 | H391 | 74.6° | 168.7° |
| C48 | N3 | C39 | H392 | 175.9° | 70.7° |
| N3 | C48 | C49 | N4 | 53.3° | 56.0° |
| N3 | C48 | C49 | H481 | 125.2° | 119.7° |
| N3 | C48 | C49 | H482 | 125.2° | 119.7° |
| N3 | C48 | C49 | H491 | 178.6° | 176.0° |
| N3 | C48 | C49 | H492 | 71.9° | 64.0° |
| N3 | C48 | H481 | H482 | 117.6° | 120.6° |
| C40 | C39 | H391 | H392 | 117.6° | 120.5° |
| C39 | C40 | N4 | H401 | 125.3° | 120.0° |
| C39 | C40 | N4 | H402 | 125.3° | 120.0° |
| C39 | C40 | H401 | H402 | 117.7° | 119.9° |
| C39 | C40 | N4 | C33 | 178.1° | 179.1° |
| C39 | C40 | N4 | C49 | 59.8° | 66.9° |
| H391 | C39 | C40 | N4 | 71.0° | 175.7° |
| H391 | C39 | C40 | H401 | 54.3° | 55.7° |
| H391 | C39 | C40 | H402 | 163.7° | 64.3° |
| H392 | C39 | C40 | N4 | 179.6° | 63.7° |
| H392 | C39 | C40 | H401 | 55.2° | 176.2° |
| H392 | C39 | C40 | H402 | 54.3° | 56.3° |
| N4 | C40 | H401 | H402 | 117.8° | 120.0° |
| C40 | N4 | C33 | C49 | 119.7° | 114.5° |
| C40 | N4 | C33 | H331 | 180.0° | 180.0° |
| C40 | N4 | C33 | H332 | 54.7° | 60.0° |
| C40 | N4 | C33 | H333 | 54.7° | 60.0° |
| C40 | N4 | C49 | C48 | 59.4° | 66.9° |
| C40 | N4 | C49 | H491 | 175.3° | 173.1° |
| C40 | N4 | C49 | H492 | 65.9° | 53.1° |
| H401 | C40 | N4 | C33 | 56.7° | 60.9° |
| H401 | C40 | N4 | C49 | 175.0° | 53.1° |
| H402 | C40 | N4 | C33 | 52.8° | 59.1° |
| H402 | C40 | N4 | C49 | 65.5° | 173.1° |
| N4 | C33 | H331 | H332 | 125.2° | 119.9° |
| N4 | C33 | H331 | H333 | 125.3° | 120.0° |
| N4 | C33 | H332 | H333 | 119.2° | 120.0° |
| C33 | N4 | C49 | C48 | 176.5° | 179.0° |
| C33 | N4 | C49 | H491 | 58.2° | 59.0° |
| C33 | N4 | C49 | H492 | 51.2° | 61.0° |
| C49 | N4 | C33 | H331 | 60.3° | 65.4° |
| C49 | N4 | C33 | H332 | 174.5° | 174.6° |
| C49 | N4 | C33 | H333 | 65.1° | 54.6° |
| N4 | C49 | C48 | H491 | 125.2° | 120.0° |
| N4 | C49 | C48 | H492 | 125.2° | 120.0° |
| N4 | C49 | H491 | H492 | 117.7° | 120.0° |
| N4 | C49 | C48 | H481 | 178.6° | 175.7° |
| N4 | C49 | C48 | H482 | 71.9° | 63.7° |
| H331 | C33 | H332 | H333 | 119.1° | 120.1° |
| C48 | C49 | H491 | H492 | 117.8° | 119.9° |
| C49 | C48 | H481 | H482 | 117.6° | 120.5° |
| H491 | C49 | C48 | H481 | 56.2° | 64.3° |
| H491 | C49 | C48 | H482 | 53.3° | 56.3° |
| H492 | C49 | C48 | H481 | 53.4° | 55.7° |
| H492 | C49 | C48 | H482 | 162.9° | 176.2° |
| N1 | C9 | C10 | C17 | 122.9° | 120.0° |
| N1 | C9 | C10 | H91 | 115.5° | 119.9° |
| N1 | C9 | C17 | H91 | 115.7° | 120.0° |
| N1 | C9 | C10 | C11 | 47.0° | 59.9° |
| N1 | C9 | C10 | H101 | 78.2° | 60.0° |
| N1 | C9 | C10 | H102 | 172.3° | 179.9° |
| N1 | C9 | C17 | O3 | 45.1° | 0.0° |
| N1 | C9 | C17 | N2 | 139.0° | 179.9° |
| HN11 | N1 | C9 | C10 | 3.6° | 90.1° |
| HN11 | N1 | C9 | C17 | 123.5° | 30.0° |
| HN11 | N1 | C9 | H91 | 115.1° | 150.1° |
| C10 | C9 | C17 | H91 | 119.2° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.7° | 120.0° |
| C9 | C10 | C11 | C12 | 142.9° | 89.9° |
| C9 | C10 | C11 | C16 | 31.8° | 90.3° |
| C10 | C9 | C17 | O3 | 80.0° | 120.0° |
| C10 | C9 | C17 | N2 | 96.0° | 60.1° |
| C17 | C9 | C10 | C11 | 169.9° | 180.0° |
| C17 | C9 | C10 | H101 | 44.7° | 60.0° |
| C17 | C9 | C10 | H102 | 64.8° | 60.1° |
| C9 | C17 | O3 | N2 | 175.8° | 179.9° |
| C9 | C17 | N2 | C18 | 178.9° | 180.0° |
| C9 | C17 | N2 | HN21 | 1.1° | 0.1° |
| H91 | C9 | C10 | C11 | 68.5° | 59.9° |
| H91 | C9 | C10 | H101 | 166.3° | 179.9° |
| H91 | C9 | C10 | H102 | 56.8° | 60.1° |
| H91 | C9 | C17 | O3 | 160.8° | 120.0° |
| H91 | C9 | C17 | N2 | 23.2° | 59.9° |
| C11 | C10 | H101 | H102 | 116.6° | 120.0° |
| C10 | C11 | C12 | C16 | 174.8° | 179.8° |
| C10 | C11 | C12 | C13 | 174.2° | 180.0° |
| C10 | C11 | C12 | H121 | 5.8° | 0.1° |
| C10 | C11 | C16 | C15 | 173.5° | 179.7° |
| C10 | C11 | C16 | H161 | 6.5° | 0.2° |
| H101 | C10 | C11 | C12 | 17.6° | 30.0° |
| H101 | C10 | C11 | C16 | 157.1° | 149.8° |
| H102 | C10 | C11 | C12 | 91.8° | 150.1° |
| H102 | C10 | C11 | C16 | 93.5° | 29.7° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H131 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 1.0° | 0.4° |
| C12 | C11 | C16 | H161 | 179.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.7° | 0.2° |
| C16 | C11 | C12 | H121 | 179.4° | 179.8° |
| C11 | C16 | C15 | C14 | 0.5° | 0.4° |
| C11 | C16 | C15 | H161 | 180.0° | 179.5° |
| C11 | C16 | C15 | H151 | 179.4° | 179.8° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | H141 | 179.4° | 180.0° |
| H121 | C12 | C13 | C14 | 179.8° | 180.0° |
| H121 | C12 | C13 | H131 | 0.2° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H151 | 179.7° | 180.0° |
| H131 | C13 | C14 | C15 | 179.4° | 180.0° |
| H131 | C13 | C14 | H141 | 0.6° | 0.1° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | H161 | 179.5° | 180.0° |
| H141 | C14 | C15 | C16 | 179.7° | 179.8° |
| H141 | C14 | C15 | H151 | 0.3° | 0.0° |
| H151 | C15 | C16 | H161 | 0.6° | 0.2° |
| O3 | C17 | N2 | C18 | 2.8° | 0.1° |
| O3 | C17 | N2 | HN21 | 177.2° | 180.0° |
| C17 | N2 | C18 | HN21 | 180.0° | 179.9° |
| C17 | N2 | C18 | C19 | 107.0° | 90.1° |
| C17 | N2 | C18 | C27 | 132.0° | 149.9° |
| C17 | N2 | C18 | H181 | 14.9° | 30.0° |
| N2 | C18 | C19 | C27 | 125.4° | 120.0° |
| N2 | C18 | C19 | H181 | 117.0° | 120.0° |
| N2 | C18 | C27 | H181 | 116.6° | 120.0° |
| N2 | C18 | C19 | C20 | 62.0° | 60.0° |
| N2 | C18 | C19 | H191 | 63.2° | 60.1° |
| N2 | C18 | C19 | H192 | 172.7° | 180.0° |
| N2 | C18 | C27 | C28 | 82.5° | 60.0° |
| N2 | C18 | C27 | H271 | 42.7° | 180.0° |
| N2 | C18 | C27 | H272 | 152.1° | 59.9° |
| HN21 | N2 | C18 | C19 | 73.0° | 90.0° |
| HN21 | N2 | C18 | C27 | 48.0° | 30.0° |
| HN21 | N2 | C18 | H181 | 165.1° | 149.9° |
| C19 | C18 | C27 | H181 | 122.0° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.0° |
| C18 | C19 | C20 | H192 | 125.2° | 119.9° |
| C18 | C19 | H191 | H192 | 115.6° | 119.9° |
| C18 | C19 | C20 | C21 | 175.8° | 180.0° |
| C18 | C19 | C20 | H201 | 59.0° | 60.0° |
| C18 | C19 | C20 | H202 | 50.5° | 60.0° |
| C19 | C18 | C27 | C28 | 38.8° | 180.0° |
| C19 | C18 | C27 | H271 | 164.1° | 60.0° |
| C19 | C18 | C27 | H272 | 86.5° | 60.0° |
| C27 | C18 | C19 | C20 | 172.5° | 180.0° |
| C27 | C18 | C19 | H191 | 62.2° | 59.9° |
| C27 | C18 | C19 | H192 | 47.3° | 60.0° |
| C18 | C27 | C28 | S1 | 157.0° | 180.0° |
| C18 | C27 | C28 | H271 | 125.3° | 120.0° |
| C18 | C27 | C28 | H272 | 125.3° | 119.9° |
| C18 | C27 | C28 | H281 | 77.7° | 60.0° |
| C18 | C27 | C28 | H282 | 31.7° | 60.0° |
| C18 | C27 | H271 | H272 | 118.4° | 120.0° |
| H181 | C18 | C19 | C20 | 54.9° | 60.0° |
| H181 | C18 | C19 | H191 | 179.8° | 179.9° |
| H181 | C18 | C19 | H192 | 70.3° | 60.0° |
| H181 | C18 | C27 | C28 | 160.8° | 60.0° |
| H181 | C18 | C27 | H271 | 73.9° | 60.0° |
| H181 | C18 | C27 | H272 | 35.5° | 179.9° |
| C20 | C19 | H191 | H192 | 115.7° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.1° |
| C19 | C20 | H201 | H202 | 117.2° | 120.0° |
| C19 | C20 | C21 | C22 | 45.9° | 90.0° |
| C19 | C20 | C21 | C26 | 138.4° | 90.2° |
| H191 | C19 | C20 | C21 | 50.5° | 60.0° |
| H191 | C19 | C20 | H201 | 175.8° | 180.0° |
| H191 | C19 | C20 | H202 | 74.8° | 60.1° |
| H192 | C19 | C20 | C21 | 59.0° | 60.0° |
| H192 | C19 | C20 | H201 | 66.3° | 60.0° |
| H192 | C19 | C20 | H202 | 175.7° | 179.9° |
| C21 | C20 | H201 | H202 | 117.2° | 119.9° |
| C20 | C21 | C22 | C26 | 175.6° | 179.8° |
| C20 | C21 | C22 | C23 | 175.8° | 180.0° |
| C20 | C21 | C22 | H221 | 4.2° | 0.0° |
| C20 | C21 | C26 | C25 | 176.1° | 179.8° |
| C20 | C21 | C26 | H261 | 3.9° | 0.1° |
| H201 | C20 | C21 | C22 | 79.4° | 30.0° |
| H201 | C20 | C21 | C26 | 96.3° | 149.7° |
| H202 | C20 | C21 | C22 | 171.1° | 149.9° |
| H202 | C20 | C21 | C26 | 13.1° | 29.8° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H231 | 179.9° | 179.9° |
| C22 | C21 | C26 | C25 | 0.3° | 0.5° |
| C22 | C21 | C26 | H261 | 179.8° | 179.9° |
| C26 | C21 | C22 | C23 | 0.2° | 0.3° |
| C26 | C21 | C22 | H221 | 179.8° | 179.8° |
| C21 | C26 | C25 | C24 | 0.1° | 0.4° |
| C21 | C26 | C25 | H261 | 180.0° | 179.6° |
| C21 | C26 | C25 | H251 | 179.9° | 179.7° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | H241 | 179.7° | 179.9° |
| H221 | C22 | C23 | C24 | 179.9° | 180.0° |
| H221 | C22 | C23 | H231 | 0.1° | 0.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.2° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| H231 | C23 | C24 | C25 | 179.7° | 180.0° |
| H231 | C23 | C24 | H241 | 0.3° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.8° |
| C24 | C25 | C26 | H261 | 180.0° | 179.9° |
| H241 | C24 | C25 | C26 | 179.8° | 179.9° |
| H241 | C24 | C25 | H251 | 0.2° | 0.0° |
| H251 | C25 | C26 | H261 | 0.1° | 0.1° |
| S1 | C28 | C27 | H281 | 125.3° | 120.0° |
| S1 | C28 | C27 | H282 | 125.3° | 120.0° |
| S1 | C28 | H281 | H282 | 109.8° | 119.9° |
| C28 | S1 | N5 | O4 | 107.7° | 116.2° |
| C28 | S1 | N5 | O5 | 124.4° | 116.2° |
| C28 | S1 | O4 | O5 | 119.4° | 135.8° |
| C28 | S1 | N5 | O6 | 53.3° | 60.0° |
| C28 | S1 | N5 | HN51 | 178.6° | 120.0° |
| S1 | C28 | C27 | H271 | 77.7° | 60.0° |
| S1 | C28 | C27 | H272 | 31.7° | 60.0° |
| C27 | C28 | H281 | H282 | 109.7° | 120.1° |
| C27 | C28 | S1 | N5 | 142.5° | 180.0° |
| C27 | C28 | S1 | O4 | 103.5° | 70.3° |
| C27 | C28 | S1 | O5 | 18.3° | 70.2° |
| C28 | C27 | H271 | H272 | 118.5° | 120.0° |
| H281 | C28 | S1 | N5 | 17.3° | 60.0° |
| H281 | C28 | S1 | O4 | 131.3° | 169.7° |
| H281 | C28 | S1 | O5 | 106.9° | 49.8° |
| H281 | C28 | C27 | H271 | 47.5° | 180.0° |
| H281 | C28 | C27 | H272 | 157.0° | 59.9° |
| H282 | C28 | S1 | N5 | 92.2° | 59.9° |
| H282 | C28 | S1 | O4 | 21.8° | 49.8° |
| H282 | C28 | S1 | O5 | 143.6° | 169.7° |
| H282 | C28 | C27 | H271 | 157.0° | 60.0° |
| H282 | C28 | C27 | H272 | 93.6° | 180.0° |
| N5 | S1 | O4 | O5 | 125.7° | 114.2° |
| S1 | N5 | O6 | HN51 | 125.3° | 180.0° |
| S1 | N5 | O6 | C34 | 173.2° | 180.0° |
| O4 | S1 | N5 | O6 | 54.4° | 56.2° |
| O4 | S1 | N5 | HN51 | 70.9° | 123.8° |
| O5 | S1 | N5 | O6 | 177.7° | 176.2° |
| O5 | S1 | N5 | HN51 | 57.0° | 3.8° |
| N5 | O6 | C34 | C41 | 171.3° | 180.0° |
| N5 | O6 | C34 | H341 | 63.4° | 60.0° |
| N5 | O6 | C34 | H342 | 46.0° | 60.0° |
| HN51 | N5 | O6 | C34 | 61.5° | 0.0° |
| O6 | C34 | C41 | H341 | 125.3° | 120.0° |
| O6 | C34 | C41 | H342 | 125.3° | 120.0° |
| O6 | C34 | H341 | H342 | 118.2° | 120.0° |
| O6 | C34 | C41 | C42 | 115.4° | 90.0° |
| O6 | C34 | C41 | C46 | 62.5° | 90.3° |
| C41 | C34 | H341 | H342 | 118.1° | 120.0° |
| C34 | C41 | C42 | C46 | 177.9° | 179.7° |
| C34 | C41 | C42 | C43 | 177.5° | 180.0° |
| C34 | C41 | C42 | H421 | 2.5° | 0.0° |
| C34 | C41 | C46 | C45 | 178.4° | 179.7° |
| C34 | C41 | C46 | H461 | 1.7° | 0.3° |
| H341 | C34 | C41 | C42 | 119.3° | 30.0° |
| H341 | C34 | C41 | C46 | 62.7° | 149.7° |
| H342 | C34 | C41 | C42 | 9.9° | 150.0° |
| H342 | C34 | C41 | C46 | 172.1° | 29.7° |
| C41 | C42 | C43 | H421 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.4° | 0.0° |
| C41 | C42 | C43 | H431 | 179.6° | 180.0° |
| C42 | C41 | C46 | C45 | 0.5° | 0.5° |
| C42 | C41 | C46 | H461 | 179.6° | 180.0° |
| C46 | C41 | C42 | C43 | 0.4° | 0.3° |
| C46 | C41 | C42 | H421 | 179.6° | 179.7° |
| C41 | C46 | C45 | C44 | 1.3° | 0.5° |
| C41 | C46 | C45 | H461 | 180.0° | 179.5° |
| C41 | C46 | C45 | H451 | 178.8° | 179.7° |
| C42 | C43 | C44 | H431 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.4° | 0.1° |
| C42 | C43 | C44 | H441 | 179.7° | 179.9° |
| H421 | C42 | C43 | C44 | 179.6° | 180.0° |
| H421 | C42 | C43 | H431 | 0.4° | 0.1° |
| C43 | C44 | C45 | H441 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 1.2° | 0.2° |
| C43 | C44 | C45 | H451 | 178.8° | 180.0° |
| H431 | C43 | C44 | C45 | 179.6° | 180.0° |
| H431 | C43 | C44 | H441 | 0.3° | 0.0° |
| C44 | C45 | C46 | H451 | 180.0° | 179.8° |
| C44 | C45 | C46 | H461 | 178.8° | 180.0° |
| H441 | C44 | C45 | C46 | 178.8° | 179.8° |
| H441 | C44 | C45 | H451 | 1.2° | 0.0° |
| H451 | C45 | C46 | H461 | 1.2° | 0.2° |
