D1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | N3 | sing | 1.47Å | 1.49Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | N4 | sing | 1.47Å | 1.47Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| N4 | C33 | sing | 1.46Å | 1.47Å | |
| N4 | C49 | sing | 1.47Å | 1.46Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C49 | C48 | sing | 1.53Å | 1.54Å | |
| C49 | H491 | sing | 1.10Å | 1.10Å | |
| C49 | H492 | sing | 1.10Å | 1.10Å | |
| C48 | N3 | sing | 1.46Å | 1.50Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.10Å | 1.10Å | |
| N3 | C8 | sing | 1.41Å | 1.35Å | |
| C8 | N1 | sing | 1.39Å | 1.34Å | |
| C8 | O2 | doub | 1.24Å | 1.23Å | |
| N1 | C9 | sing | 1.45Å | 1.47Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C9 | C17 | sing | 1.52Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C17 | O3 | doub | 1.23Å | 1.23Å | |
| C17 | N2 | sing | 1.39Å | 1.32Å | |
| N2 | C18 | sing | 1.44Å | 1.47Å | |
| N2 | HN2 | sing | 1.02Å | 1.00Å | |
| C18 | C19 | sing | 1.54Å | 1.56Å | |
| C18 | C27 | sing | 1.54Å | 1.54Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | C28 | sing | 1.52Å | 1.54Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C28 | S1 | sing | 1.76Å | 1.82Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| S1 | O4 | doub | 1.45Å | 1.49Å | |
| S1 | O5 | doub | 1.45Å | 1.48Å | |
| S1 | CAB | sing | 1.77Å | 1.77Å | |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.08Å | |
| CAC | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.09Å | 1.08Å | |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.08Å | |
| CAF | CAD | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.08Å | |
| CAD | HAD | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | N3 | 109.7° | 111.9° |
| C40 | C39 | H391 | 109.4° | 110.6° |
| C40 | C39 | H392 | 109.3° | 107.7° |
| C39 | C40 | N4 | 105.8° | 111.4° |
| C39 | C40 | H401 | 110.7° | 109.4° |
| C39 | C40 | H402 | 111.5° | 108.4° |
| N3 | C39 | H391 | 109.4° | 107.0° |
| N3 | C39 | H392 | 109.3° | 111.7° |
| C39 | N3 | C48 | 121.8° | 114.8° |
| C39 | N3 | C8 | 120.3° | 125.8° |
| H391 | C39 | H392 | 109.7° | 107.9° |
| N4 | C40 | H401 | 110.7° | 110.3° |
| N4 | C40 | H402 | 111.5° | 109.9° |
| C40 | N4 | C33 | 112.4° | 110.5° |
| C40 | N4 | C49 | 108.2° | 110.1° |
| H401 | C40 | H402 | 106.7° | 107.3° |
| C33 | N4 | C49 | 109.7° | 110.5° |
| N4 | C33 | H331 | 109.5° | 110.1° |
| N4 | C33 | H332 | 109.5° | 110.2° |
| N4 | C33 | H333 | 109.4° | 110.2° |
| N4 | C49 | C48 | 111.0° | 110.4° |
| N4 | C49 | H491 | 109.0° | 109.9° |
| N4 | C49 | H492 | 108.6° | 110.7° |
| H331 | C33 | H332 | 109.5° | 108.8° |
| H331 | C33 | H333 | 109.5° | 108.8° |
| H332 | C33 | H333 | 109.5° | 108.7° |
| C48 | C49 | H491 | 108.9° | 108.6° |
| C48 | C49 | H492 | 108.6° | 109.8° |
| C49 | C48 | N3 | 115.1° | 112.1° |
| C49 | C48 | H481 | 107.7° | 109.6° |
| C49 | C48 | H482 | 106.4° | 110.4° |
| H491 | C49 | H492 | 110.7° | 107.5° |
| N3 | C48 | H481 | 107.6° | 110.8° |
| N3 | C48 | H482 | 106.4° | 106.8° |
| C48 | N3 | C8 | 117.9° | 119.0° |
| H481 | C48 | H482 | 114.0° | 107.0° |
| N3 | C8 | N1 | 121.6° | 115.5° |
| N3 | C8 | O2 | 117.9° | 122.8° |
| N1 | C8 | O2 | 120.5° | 121.7° |
| C8 | N1 | C9 | 118.8° | 122.1° |
| C8 | N1 | HN1 | 120.6° | 121.2° |
| C9 | N1 | HN1 | 120.6° | 116.4° |
| N1 | C9 | C17 | 106.3° | 107.2° |
| N1 | C9 | C10 | 114.3° | 112.2° |
| N1 | C9 | H9 | 107.9° | 106.6° |
| C17 | C9 | C10 | 107.6° | 110.3° |
| C17 | C9 | H9 | 114.5° | 109.1° |
| C9 | C17 | O3 | 120.6° | 123.0° |
| C9 | C17 | N2 | 115.8° | 112.0° |
| C10 | C9 | H9 | 106.5° | 111.2° |
| C9 | C10 | C11 | 117.0° | 112.8° |
| C9 | C10 | H101 | 107.0° | 110.3° |
| C9 | C10 | H102 | 105.3° | 110.4° |
| C11 | C10 | H101 | 107.0° | 109.6° |
| C11 | C10 | H102 | 105.3° | 108.3° |
| C10 | C11 | C12 | 118.4° | 119.4° |
| C10 | C11 | C16 | 122.3° | 119.4° |
| H101 | C10 | H102 | 115.6° | 105.2° |
| C12 | C11 | C16 | 119.3° | 121.3° |
| C11 | C12 | C13 | 120.1° | 119.4° |
| C11 | C12 | H12 | 120.0° | 121.2° |
| C11 | C16 | C15 | 120.5° | 119.4° |
| C11 | C16 | H16 | 119.8° | 121.2° |
| C13 | C12 | H12 | 119.9° | 119.5° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C14 | C13 | H13 | 119.7° | 120.0° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C13 | C14 | H14 | 120.3° | 120.0° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 119.8° | 119.5° |
| O3 | C17 | N2 | 123.6° | 125.0° |
| C17 | N2 | C18 | 119.7° | 123.3° |
| C17 | N2 | HN2 | 120.2° | 118.3° |
| C18 | N2 | HN2 | 120.1° | 118.4° |
| N2 | C18 | C19 | 109.5° | 110.7° |
| N2 | C18 | C27 | 108.6° | 110.5° |
| N2 | C18 | H18 | 112.0° | 106.7° |
| C19 | C18 | C27 | 114.6° | 110.2° |
| C19 | C18 | H18 | 105.6° | 108.6° |
| C18 | C19 | C20 | 110.0° | 112.5° |
| C18 | C19 | H191 | 109.3° | 109.9° |
| C18 | C19 | H192 | 109.2° | 109.2° |
| C27 | C18 | H18 | 106.6° | 109.9° |
| C18 | C27 | C28 | 108.7° | 114.7° |
| C18 | C27 | H271 | 109.7° | 109.0° |
| C18 | C27 | H272 | 109.9° | 109.2° |
| C20 | C19 | H191 | 109.3° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.0° |
| C19 | C20 | C21 | 114.9° | 111.6° |
| C19 | C20 | H201 | 107.7° | 110.7° |
| C19 | C20 | H202 | 106.4° | 110.0° |
| H191 | C19 | H192 | 109.9° | 106.6° |
| C21 | C20 | H201 | 107.7° | 109.0° |
| C21 | C20 | H202 | 106.4° | 109.4° |
| C20 | C21 | C22 | 121.2° | 119.4° |
| C20 | C21 | C26 | 119.5° | 119.4° |
| H201 | C20 | H202 | 113.9° | 106.0° |
| C22 | C21 | C26 | 119.2° | 121.2° |
| C21 | C22 | C23 | 119.8° | 119.4° |
| C21 | C22 | H22 | 120.1° | 121.1° |
| C21 | C26 | C25 | 121.4° | 119.4° |
| C21 | C26 | H26 | 119.3° | 121.1° |
| C23 | C22 | H22 | 120.1° | 119.5° |
| C22 | C23 | C24 | 120.7° | 120.0° |
| C22 | C23 | H23 | 119.6° | 120.0° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.0° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C25 | C24 | H24 | 120.1° | 120.0° |
| C24 | C25 | C26 | 119.0° | 120.0° |
| C24 | C25 | H25 | 120.5° | 120.0° |
| C26 | C25 | H25 | 120.5° | 120.0° |
| C25 | C26 | H26 | 119.3° | 119.5° |
| C28 | C27 | H271 | 109.8° | 108.0° |
| C28 | C27 | H272 | 109.9° | 108.9° |
| C27 | C28 | S1 | 114.7° | 113.0° |
| C27 | C28 | H281 | 107.8° | 112.4° |
| C27 | C28 | H282 | 106.6° | 109.7° |
| H271 | C27 | H272 | 108.8° | 106.7° |
| S1 | C28 | H281 | 107.8° | 107.5° |
| S1 | C28 | H282 | 106.6° | 105.9° |
| C28 | S1 | O4 | 109.3° | 108.8° |
| C28 | S1 | O5 | 108.0° | 107.8° |
| C28 | S1 | CAB | 108.7° | 104.1° |
| H281 | C28 | H282 | 113.6° | 108.0° |
| O4 | S1 | O5 | 110.1° | 120.2° |
| O4 | S1 | CAB | 108.6° | 106.9° |
| O5 | S1 | CAB | 112.0° | 107.9° |
| S1 | CAB | CAA | 120.0° | 119.2° |
| S1 | CAB | CAD | 120.3° | 119.1° |
| CAA | CAB | CAD | 119.7° | 121.7° |
| CAB | CAA | CAC | 119.8° | 119.2° |
| CAB | CAA | HAA | 120.1° | 121.4° |
| CAB | CAD | CAF | 120.7° | 119.1° |
| CAB | CAD | HAD | 119.7° | 121.5° |
| CAC | CAA | HAA | 120.1° | 119.4° |
| CAA | CAC | CAE | 120.3° | 120.0° |
| CAA | CAC | HAC | 119.9° | 120.1° |
| CAE | CAC | HAC | 119.8° | 119.9° |
| CAC | CAE | CAF | 120.1° | 120.0° |
| CAC | CAE | HAE | 119.9° | 120.0° |
| CAF | CAE | HAE | 120.0° | 120.0° |
| CAE | CAF | CAD | 119.4° | 120.0° |
| CAE | CAF | HAF | 120.3° | 120.0° |
| CAD | CAF | HAF | 120.3° | 120.0° |
| CAF | CAD | HAD | 119.6° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | N3 | H391 | 120.0° | 121.3° |
| C40 | C39 | N3 | H392 | 119.9° | 120.8° |
| C40 | C39 | H391 | H392 | 119.9° | 117.6° |
| C39 | C40 | N4 | H401 | 120.0° | 121.7° |
| C39 | C40 | N4 | H402 | 121.4° | 120.2° |
| C39 | C40 | H401 | H402 | 121.5° | 117.4° |
| C39 | C40 | N4 | C33 | 158.2° | 178.6° |
| C39 | C40 | N4 | C49 | 80.5° | 59.0° |
| C40 | C39 | N3 | C48 | 0.5° | 47.0° |
| C40 | C39 | N3 | C8 | 179.2° | 141.1° |
| N3 | C39 | H391 | H392 | 119.9° | 120.3° |
| N3 | C39 | C40 | N4 | 48.7° | 51.8° |
| N3 | C39 | C40 | H401 | 168.7° | 70.4° |
| N3 | C39 | C40 | H402 | 72.7° | 172.9° |
| C39 | N3 | C48 | C49 | 23.4° | 48.6° |
| C39 | N3 | C48 | C8 | 178.7° | 172.5° |
| C39 | N3 | C48 | H481 | 143.4° | 171.3° |
| C39 | N3 | C48 | H482 | 94.1° | 72.5° |
| C39 | N3 | C8 | N1 | 0.9° | 0.4° |
| C39 | N3 | C8 | O2 | 179.2° | 179.9° |
| H391 | C39 | C40 | N4 | 168.7° | 67.3° |
| H391 | C39 | C40 | H401 | 71.3° | 170.4° |
| H391 | C39 | C40 | H402 | 47.3° | 53.7° |
| H391 | C39 | N3 | C48 | 119.6° | 74.3° |
| H391 | C39 | N3 | C8 | 59.1° | 97.6° |
| H392 | C39 | C40 | N4 | 71.2° | 174.9° |
| H392 | C39 | C40 | H401 | 48.8° | 52.7° |
| H392 | C39 | C40 | H402 | 167.4° | 64.0° |
| H392 | C39 | N3 | C48 | 120.4° | 167.8° |
| H392 | C39 | N3 | C8 | 60.9° | 20.2° |
| N4 | C40 | H401 | H402 | 121.5° | 119.7° |
| C40 | N4 | C33 | C49 | 120.4° | 122.1° |
| C40 | N4 | C33 | H331 | 139.5° | 83.0° |
| C40 | N4 | C33 | H332 | 19.5° | 37.1° |
| C40 | N4 | C33 | H333 | 100.5° | 157.0° |
| C40 | N4 | C49 | C48 | 55.7° | 60.0° |
| C40 | N4 | C49 | H491 | 175.6° | 179.7° |
| C40 | N4 | C49 | H492 | 63.7° | 61.8° |
| H401 | C40 | N4 | C33 | 38.3° | 59.8° |
| H401 | C40 | N4 | C49 | 159.5° | 62.6° |
| H402 | C40 | N4 | C33 | 80.3° | 58.4° |
| H402 | C40 | N4 | C49 | 40.9° | 179.2° |
| N4 | C33 | H331 | H332 | 120.0° | 120.9° |
| N4 | C33 | H331 | H333 | 120.0° | 120.9° |
| N4 | C33 | H332 | H333 | 120.0° | 120.9° |
| C33 | N4 | C49 | C48 | 178.6° | 177.6° |
| C33 | N4 | C49 | H491 | 61.5° | 57.9° |
| C33 | N4 | C49 | H492 | 59.2° | 60.6° |
| C49 | N4 | C33 | H331 | 100.1° | 154.9° |
| C49 | N4 | C33 | H332 | 139.9° | 85.1° |
| C49 | N4 | C33 | H333 | 19.9° | 34.9° |
| N4 | C49 | C48 | H491 | 120.0° | 120.5° |
| N4 | C49 | C48 | H492 | 119.4° | 122.3° |
| N4 | C49 | H491 | H492 | 119.4° | 120.5° |
| N4 | C49 | C48 | N3 | 4.9° | 54.4° |
| N4 | C49 | C48 | H481 | 115.1° | 177.8° |
| N4 | C49 | C48 | H482 | 122.4° | 64.6° |
| H331 | C33 | H332 | H333 | 120.0° | 118.3° |
| C48 | C49 | H491 | H492 | 119.3° | 118.7° |
| C49 | C48 | N3 | H481 | 120.0° | 122.8° |
| C49 | C48 | N3 | H482 | 117.5° | 121.0° |
| C49 | C48 | H481 | H482 | 117.7° | 119.7° |
| C49 | C48 | N3 | C8 | 157.9° | 138.9° |
| H491 | C49 | C48 | N3 | 124.9° | 174.9° |
| H491 | C49 | C48 | H481 | 4.9° | 61.6° |
| H491 | C49 | C48 | H482 | 117.6° | 56.0° |
| H492 | C49 | C48 | N3 | 114.5° | 67.8° |
| H492 | C49 | C48 | H481 | 125.5° | 55.6° |
| H492 | C49 | C48 | H482 | 3.0° | 173.2° |
| N3 | C48 | H481 | H482 | 117.7° | 116.1° |
| C48 | N3 | C8 | N1 | 179.7° | 171.2° |
| C48 | N3 | C8 | O2 | 0.5° | 8.3° |
| H481 | C48 | N3 | C8 | 37.9° | 16.2° |
| H482 | C48 | N3 | C8 | 84.6° | 100.0° |
| N3 | C8 | N1 | O2 | 179.9° | 179.6° |
| N3 | C8 | N1 | C9 | 179.7° | 179.6° |
| N3 | C8 | N1 | HN1 | 0.4° | 5.8° |
| C8 | N1 | C9 | HN1 | 180.0° | 174.0° |
| C8 | N1 | C9 | C17 | 63.2° | 86.7° |
| C8 | N1 | C9 | C10 | 178.2° | 152.0° |
| C8 | N1 | C9 | H9 | 60.0° | 30.0° |
| O2 | C8 | N1 | C9 | 0.2° | 0.0° |
| O2 | C8 | N1 | HN1 | 179.8° | 173.7° |
| N1 | C9 | C17 | C10 | 122.8° | 122.4° |
| N1 | C9 | C17 | H9 | 119.0° | 115.1° |
| N1 | C9 | C10 | H9 | 119.0° | 119.3° |
| N1 | C9 | C10 | C11 | 43.5° | 79.3° |
| N1 | C9 | C10 | H101 | 76.5° | 157.8° |
| N1 | C9 | C10 | H102 | 160.0° | 42.0° |
| N1 | C9 | C17 | O3 | 45.8° | 34.9° |
| N1 | C9 | C17 | N2 | 134.8° | 142.8° |
| HN1 | N1 | C9 | C17 | 116.8° | 99.2° |
| HN1 | N1 | C9 | C10 | 1.7° | 22.0° |
| HN1 | N1 | C9 | H9 | 120.0° | 144.0° |
| C17 | C9 | C10 | H9 | 123.2° | 121.2° |
| C17 | C9 | C10 | C11 | 161.3° | 161.3° |
| C17 | C9 | C10 | H101 | 41.3° | 38.3° |
| C17 | C9 | C10 | H102 | 82.2° | 77.5° |
| C9 | C17 | O3 | N2 | 179.4° | 177.4° |
| C9 | C17 | N2 | C18 | 179.1° | 177.7° |
| C9 | C17 | N2 | HN2 | 0.9° | 2.3° |
| C9 | C10 | C11 | H101 | 120.0° | 123.3° |
| C9 | C10 | C11 | H102 | 116.5° | 122.5° |
| C9 | C10 | H101 | H102 | 116.9° | 119.1° |
| C9 | C10 | C11 | C12 | 142.1° | 90.0° |
| C9 | C10 | C11 | C16 | 39.1° | 90.0° |
| C10 | C9 | C17 | O3 | 77.1° | 87.5° |
| C10 | C9 | C17 | N2 | 102.4° | 94.8° |
| H9 | C9 | C10 | C11 | 75.5° | 40.0° |
| H9 | C9 | C10 | H101 | 164.5° | 82.9° |
| H9 | C9 | C10 | H102 | 41.0° | 161.3° |
| H9 | C9 | C17 | O3 | 164.7° | 150.0° |
| H9 | C9 | C17 | N2 | 15.8° | 27.7° |
| C11 | C10 | H101 | H102 | 116.9° | 116.2° |
| C10 | C11 | C12 | C16 | 178.8° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 0.1° | 0.0° |
| C10 | C11 | C16 | C15 | 179.5° | 180.0° |
| C10 | C11 | C16 | H16 | 0.5° | 0.0° |
| H101 | C10 | C11 | C12 | 22.1° | 33.3° |
| H101 | C10 | C11 | C16 | 159.1° | 146.7° |
| H102 | C10 | C11 | C12 | 101.3° | 147.5° |
| H102 | C10 | C11 | C16 | 77.5° | 32.5° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.4° | 0.1° |
| C11 | C12 | C13 | H13 | 178.5° | 180.0° |
| C12 | C11 | C16 | C15 | 0.7° | 0.0° |
| C12 | C11 | C16 | H16 | 179.3° | 180.0° |
| C16 | C11 | C12 | C13 | 1.3° | 0.0° |
| C16 | C11 | C12 | H12 | 178.7° | 180.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.1° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | H15 | 179.7° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.1° |
| C12 | C13 | C14 | H14 | 178.9° | 180.0° |
| H12 | C12 | C13 | C14 | 178.6° | 180.0° |
| H12 | C12 | C13 | H13 | 1.4° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H15 | 179.5° | 179.9° |
| H13 | C13 | C14 | C15 | 178.9° | 179.9° |
| H13 | C13 | C14 | H14 | 1.1° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| H14 | C14 | C15 | C16 | 179.5° | 180.0° |
| H14 | C14 | C15 | H15 | 0.5° | 0.1° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| O3 | C17 | N2 | C18 | 0.4° | 0.0° |
| O3 | C17 | N2 | HN2 | 179.7° | 180.0° |
| C17 | N2 | C18 | HN2 | 180.0° | 180.0° |
| C17 | N2 | C18 | C19 | 123.0° | 61.9° |
| C17 | N2 | C18 | C27 | 111.2° | 60.6° |
| C17 | N2 | C18 | H18 | 6.2° | 179.9° |
| N2 | C18 | C19 | C27 | 122.3° | 122.6° |
| N2 | C18 | C19 | H18 | 120.7° | 116.9° |
| N2 | C18 | C27 | H18 | 120.8° | 117.5° |
| N2 | C18 | C19 | C20 | 73.9° | 56.9° |
| N2 | C18 | C19 | H191 | 46.1° | 179.2° |
| N2 | C18 | C19 | H192 | 166.3° | 64.2° |
| N2 | C18 | C27 | C28 | 66.1° | 56.1° |
| N2 | C18 | C27 | H271 | 53.9° | 177.3° |
| N2 | C18 | C27 | H272 | 173.5° | 66.4° |
| HN2 | N2 | C18 | C19 | 57.0° | 118.1° |
| HN2 | N2 | C18 | C27 | 68.8° | 119.5° |
| HN2 | N2 | C18 | H18 | 173.8° | 0.0° |
| C19 | C18 | C27 | H18 | 116.4° | 119.7° |
| C18 | C19 | C20 | H191 | 120.0° | 122.5° |
| C18 | C19 | C20 | H192 | 119.8° | 121.2° |
| C18 | C19 | H191 | H192 | 119.8° | 118.2° |
| C18 | C19 | C20 | C21 | 178.4° | 177.5° |
| C18 | C19 | C20 | H201 | 58.4° | 60.9° |
| C18 | C19 | C20 | H202 | 64.1° | 55.9° |
| C19 | C18 | C27 | C28 | 56.6° | 178.9° |
| C19 | C18 | C27 | H271 | 176.7° | 60.0° |
| C19 | C18 | C27 | H272 | 63.7° | 56.3° |
| C27 | C18 | C19 | C20 | 163.9° | 179.5° |
| C27 | C18 | C19 | H191 | 76.2° | 58.2° |
| C27 | C18 | C19 | H192 | 44.1° | 58.4° |
| C18 | C27 | C28 | H271 | 120.0° | 121.7° |
| C18 | C27 | C28 | H272 | 120.3° | 122.7° |
| C18 | C27 | H271 | H272 | 120.3° | 117.8° |
| C18 | C27 | C28 | S1 | 114.2° | 178.2° |
| C18 | C27 | C28 | H281 | 5.8° | 60.0° |
| C18 | C27 | C28 | H282 | 128.2° | 60.2° |
| H18 | C18 | C19 | C20 | 46.8° | 60.0° |
| H18 | C18 | C19 | H191 | 166.8° | 62.3° |
| H18 | C18 | C19 | H192 | 72.9° | 178.9° |
| H18 | C18 | C27 | C28 | 173.1° | 61.4° |
| H18 | C18 | C27 | H271 | 66.9° | 59.8° |
| H18 | C18 | C27 | H272 | 52.7° | 176.0° |
| C20 | C19 | H191 | H192 | 119.8° | 117.8° |
| C19 | C20 | C21 | H201 | 120.0° | 122.5° |
| C19 | C20 | C21 | H202 | 117.5° | 122.0° |
| C19 | C20 | H201 | H202 | 117.8° | 119.3° |
| C19 | C20 | C21 | C22 | 64.7° | 89.9° |
| C19 | C20 | C21 | C26 | 116.7° | 90.0° |
| H191 | C19 | C20 | C21 | 61.7° | 60.0° |
| H191 | C19 | C20 | H201 | 178.4° | 61.6° |
| H191 | C19 | C20 | H202 | 55.9° | 178.4° |
| H192 | C19 | C20 | C21 | 58.5° | 56.3° |
| H192 | C19 | C20 | H201 | 61.5° | 177.9° |
| H192 | C19 | C20 | H202 | 176.1° | 65.3° |
| C21 | C20 | H201 | H202 | 117.8° | 117.6° |
| C20 | C21 | C22 | C26 | 178.6° | 179.9° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | C22 | H22 | 0.6° | 0.1° |
| C20 | C21 | C26 | C25 | 179.7° | 180.0° |
| C20 | C21 | C26 | H26 | 0.3° | 0.0° |
| H201 | C20 | C21 | C22 | 55.3° | 147.5° |
| H201 | C20 | C21 | C26 | 123.3° | 32.6° |
| H202 | C20 | C21 | C22 | 177.8° | 32.1° |
| H202 | C20 | C21 | C26 | 0.8° | 148.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H23 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 1.1° | 0.1° |
| C22 | C21 | C26 | H26 | 179.0° | 179.9° |
| C26 | C21 | C22 | C23 | 0.8° | 0.1° |
| C26 | C21 | C22 | H22 | 179.3° | 180.0° |
| C21 | C26 | C25 | C24 | 0.6° | 0.0° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C21 | C26 | C25 | H25 | 179.4° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C22 | C23 | C24 | H24 | 179.5° | 180.0° |
| H22 | C22 | C23 | C24 | 180.0° | 179.9° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H25 | 179.8° | 179.9° |
| H23 | C23 | C24 | C25 | 179.6° | 180.0° |
| H23 | C23 | C24 | H24 | 0.5° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 179.4° | 180.0° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| H25 | C25 | C26 | H26 | 0.6° | 0.0° |
| C28 | C27 | H271 | H272 | 120.3° | 117.0° |
| C27 | C28 | S1 | H281 | 120.0° | 124.6° |
| C27 | C28 | S1 | H282 | 117.7° | 120.1° |
| C27 | C28 | H281 | H282 | 117.9° | 121.2° |
| C27 | C28 | S1 | O4 | 49.9° | 66.3° |
| C27 | C28 | S1 | O5 | 69.9° | 65.6° |
| C27 | C28 | S1 | CAB | 168.3° | 180.0° |
| H271 | C27 | C28 | S1 | 125.8° | 56.4° |
| H271 | C27 | C28 | H281 | 114.2° | 178.3° |
| H271 | C27 | C28 | H282 | 8.2° | 61.5° |
| H272 | C27 | C28 | S1 | 6.2° | 59.1° |
| H272 | C27 | C28 | H281 | 126.2° | 62.7° |
| H272 | C27 | C28 | H282 | 111.5° | 177.1° |
| S1 | C28 | H281 | H282 | 117.9° | 113.9° |
| C28 | S1 | O4 | O5 | 118.6° | 124.9° |
| C28 | S1 | O4 | CAB | 118.4° | 111.8° |
| C28 | S1 | O5 | CAB | 119.7° | 111.8° |
| C28 | S1 | CAB | CAA | 152.7° | 90.0° |
| C28 | S1 | CAB | CAD | 26.4° | 90.0° |
| H281 | C28 | S1 | O4 | 70.0° | 58.3° |
| H281 | C28 | S1 | O5 | 170.1° | 169.8° |
| H281 | C28 | S1 | CAB | 48.3° | 55.4° |
| H282 | C28 | S1 | O4 | 167.6° | 173.6° |
| H282 | C28 | S1 | O5 | 47.7° | 54.5° |
| H282 | C28 | S1 | CAB | 74.0° | 59.8° |
| O4 | S1 | O5 | CAB | 120.9° | 122.8° |
| O4 | S1 | CAB | CAA | 33.8° | 155.0° |
| O4 | S1 | CAB | CAD | 145.2° | 25.1° |
| O5 | S1 | CAB | CAA | 88.0° | 24.4° |
| O5 | S1 | CAB | CAD | 92.9° | 155.6° |
| S1 | CAB | CAA | CAD | 179.1° | 180.0° |
| S1 | CAB | CAA | CAC | 179.6° | 180.0° |
| S1 | CAB | CAA | HAA | 0.4° | 0.1° |
| S1 | CAB | CAD | CAF | 179.3° | 180.0° |
| S1 | CAB | CAD | HAD | 0.6° | 0.1° |
| CAB | CAA | CAC | HAA | 180.0° | 179.9° |
| CAB | CAA | CAC | CAE | 0.2° | 0.0° |
| CAB | CAA | CAC | HAC | 179.8° | 179.9° |
| CAA | CAB | CAD | CAF | 0.2° | 0.0° |
| CAA | CAB | CAD | HAD | 179.7° | 179.9° |
| CAD | CAB | CAA | CAC | 0.5° | 0.0° |
| CAD | CAB | CAA | HAA | 179.5° | 180.0° |
| CAB | CAD | CAF | CAE | 0.3° | 0.0° |
| CAB | CAD | CAF | HAD | 180.0° | 179.9° |
| CAB | CAD | CAF | HAF | 179.7° | 179.9° |
| CAA | CAC | CAE | HAC | 180.0° | 179.9° |
| CAA | CAC | CAE | CAF | 0.3° | 0.0° |
| CAA | CAC | CAE | HAE | 179.7° | 179.9° |
| HAA | CAA | CAC | CAE | 179.8° | 180.0° |
| HAA | CAA | CAC | HAC | 0.3° | 0.1° |
| CAC | CAE | CAF | HAE | 180.0° | 179.9° |
| CAC | CAE | CAF | CAD | 0.5° | 0.0° |
| CAC | CAE | CAF | HAF | 179.4° | 179.9° |
| HAC | CAC | CAE | CAF | 179.7° | 179.9° |
| HAC | CAC | CAE | HAE | 0.3° | 0.2° |
| CAE | CAF | CAD | HAF | 180.0° | 179.9° |
| CAE | CAF | CAD | HAD | 179.8° | 179.9° |
| HAE | CAE | CAF | CAD | 179.5° | 179.9° |
| HAE | CAE | CAF | HAF | 0.5° | 0.0° |
| HAF | CAF | CAD | HAD | 0.3° | 0.2° |
