4MC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S1 | doub | 1.45Å | 1.44Å | |
| S1 | C28 | sing | 1.72Å | 1.68Å | |
| S1 | O4 | doub | 1.45Å | 1.44Å | |
| S1 | CAB | sing | 1.77Å | 1.62Å | |
| CAB | CAA | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.09Å | 1.08Å | |
| CAF | CAE | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.08Å | |
| CAE | CAC | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.08Å | |
| CAC | CAA | doub | 1.39Å | 1.41Å | Aromatic |
| CAC | HAC | sing | 1.09Å | 1.08Å | |
| CAA | HAA | sing | 1.09Å | 1.08Å | |
| C28 | C27 | doub | 1.34Å | 1.53Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | C18 | sing | 1.50Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C18 | N2 | sing | 1.45Å | 1.47Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| N2 | C17 | sing | 1.39Å | 1.34Å | |
| N2 | HN2 | sing | 1.02Å | 1.00Å | |
| C17 | C9 | sing | 1.53Å | 1.51Å | |
| C17 | O3 | doub | 1.23Å | 1.23Å | |
| C9 | N1 | sing | 1.45Å | 1.47Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C01 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C01 | N01 | sing | 1.44Å | 1.46Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.10Å | 1.10Å | |
| N01 | C02 | sing | 1.38Å | 1.45Å | |
| N01 | H01 | sing | 1.02Å | 1.00Å | |
| C02 | N03 | doub | 1.31Å | 1.46Å | |
| C02 | N02 | sing | 1.37Å | 1.45Å | |
| N03 | H03 | sing | 1.03Å | 1.00Å | |
| N02 | H021 | sing | 1.01Å | 1.00Å | |
| N02 | H022 | sing | 1.01Å | 1.00Å | |
| N1 | C8 | sing | 1.39Å | 1.34Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C8 | N3 | sing | 1.41Å | 1.34Å | |
| C8 | O2 | doub | 1.24Å | 1.23Å | |
| N3 | C48 | sing | 1.47Å | 1.47Å | |
| N3 | C39 | sing | 1.46Å | 1.47Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C40 | N4 | sing | 1.47Å | 1.47Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | H481 | sing | 1.10Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | N4 | sing | 1.47Å | 1.47Å | |
| C49 | H491 | sing | 1.10Å | 1.10Å | |
| C49 | H492 | sing | 1.10Å | 1.10Å | |
| N4 | C33 | sing | 1.46Å | 1.47Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S1 | C28 | 109.2° | 109.4° |
| O5 | S1 | O4 | 111.8° | 119.7° |
| O5 | S1 | CAB | 111.0° | 107.4° |
| C28 | S1 | O4 | 108.4° | 110.1° |
| C28 | S1 | CAB | 106.4° | 102.2° |
| S1 | C28 | C27 | 110.8° | 117.5° |
| S1 | C28 | H28 | 124.6° | 119.7° |
| O4 | S1 | CAB | 109.9° | 106.7° |
| S1 | CAB | CAA | 120.9° | 119.1° |
| S1 | CAB | CAD | 120.7° | 119.1° |
| CAA | CAB | CAD | 118.4° | 121.8° |
| CAB | CAA | CAC | 120.1° | 119.1° |
| CAB | CAA | HAA | 120.0° | 121.5° |
| CAB | CAD | CAF | 121.7° | 119.1° |
| CAB | CAD | HAD | 119.2° | 121.5° |
| CAF | CAD | HAD | 119.2° | 119.4° |
| CAD | CAF | CAE | 119.7° | 120.0° |
| CAD | CAF | HAF | 120.1° | 120.0° |
| CAE | CAF | HAF | 120.1° | 120.0° |
| CAF | CAE | CAC | 119.3° | 120.0° |
| CAF | CAE | HAE | 120.4° | 120.0° |
| CAC | CAE | HAE | 120.3° | 120.0° |
| CAE | CAC | CAA | 120.8° | 120.0° |
| CAE | CAC | HAC | 119.6° | 119.9° |
| CAA | CAC | HAC | 119.6° | 120.1° |
| CAC | CAA | HAA | 119.9° | 119.4° |
| C27 | C28 | H28 | 124.6° | 122.8° |
| C28 | C27 | C18 | 117.4° | 123.2° |
| C28 | C27 | H27 | 121.3° | 120.0° |
| C18 | C27 | H27 | 121.3° | 116.9° |
| C27 | C18 | N2 | 109.6° | 107.3° |
| C27 | C18 | C19 | 110.4° | 112.9° |
| C27 | C18 | H18 | 108.0° | 111.0° |
| N2 | C18 | C19 | 107.2° | 110.1° |
| N2 | C18 | H18 | 111.2° | 105.6° |
| C18 | N2 | C17 | 122.9° | 123.0° |
| C18 | N2 | HN2 | 118.6° | 118.5° |
| C19 | C18 | H18 | 110.4° | 109.7° |
| C18 | C19 | C20 | 109.5° | 114.9° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H192 | 109.4° | 108.9° |
| C20 | C19 | H191 | 109.4° | 108.1° |
| C20 | C19 | H192 | 109.4° | 109.6° |
| C19 | C20 | C21 | 112.2° | 114.1° |
| C19 | C20 | H201 | 108.6° | 110.0° |
| C19 | C20 | H202 | 108.0° | 108.8° |
| H191 | C19 | H192 | 109.5° | 105.6° |
| C21 | C20 | H201 | 108.6° | 110.3° |
| C21 | C20 | H202 | 108.0° | 107.8° |
| C20 | C21 | C26 | 119.5° | 119.5° |
| C20 | C21 | C22 | 120.3° | 119.3° |
| H201 | C20 | H202 | 111.6° | 105.4° |
| C26 | C21 | C22 | 120.2° | 121.2° |
| C21 | C26 | C25 | 120.2° | 119.4° |
| C21 | C26 | H26 | 119.9° | 121.1° |
| C21 | C22 | C23 | 119.5° | 119.4° |
| C21 | C22 | H22 | 120.3° | 121.1° |
| C25 | C26 | H26 | 119.9° | 119.5° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C26 | C25 | H25 | 120.2° | 120.0° |
| C24 | C25 | H25 | 120.3° | 120.0° |
| C25 | C24 | C23 | 120.5° | 120.1° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C23 | C24 | H24 | 119.8° | 119.9° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C23 | C22 | H22 | 120.2° | 119.5° |
| C17 | N2 | HN2 | 118.6° | 118.5° |
| N2 | C17 | C9 | 117.5° | 112.5° |
| N2 | C17 | O3 | 123.9° | 124.9° |
| C9 | C17 | O3 | 118.6° | 122.6° |
| C17 | C9 | N1 | 107.9° | 105.7° |
| C17 | C9 | C10 | 108.9° | 112.5° |
| C17 | C9 | H9 | 110.6° | 109.9° |
| N1 | C9 | C10 | 108.7° | 110.0° |
| N1 | C9 | H9 | 110.8° | 108.9° |
| C9 | N1 | C8 | 118.1° | 122.2° |
| C9 | N1 | HN1 | 121.0° | 116.4° |
| C10 | C9 | H9 | 109.8° | 109.7° |
| C9 | C10 | C11 | 114.7° | 111.9° |
| C9 | C10 | H101 | 107.7° | 110.4° |
| C9 | C10 | H102 | 106.6° | 109.3° |
| C11 | C10 | H101 | 107.7° | 109.8° |
| C11 | C10 | H102 | 106.6° | 108.6° |
| C10 | C11 | C01 | 110.7° | 112.6° |
| C10 | C11 | H111 | 109.0° | 109.0° |
| C10 | C11 | H112 | 108.8° | 110.1° |
| H101 | C10 | H102 | 113.7° | 106.8° |
| C01 | C11 | H111 | 109.1° | 108.5° |
| C01 | C11 | H112 | 108.8° | 109.6° |
| C11 | C01 | N01 | 114.0° | 110.8° |
| C11 | C01 | H011 | 108.0° | 110.8° |
| C11 | C01 | H012 | 107.0° | 109.4° |
| H111 | C11 | H112 | 110.5° | 107.0° |
| N01 | C01 | H011 | 108.0° | 109.8° |
| N01 | C01 | H012 | 107.0° | 108.7° |
| C01 | N01 | C02 | 123.6° | 127.0° |
| C01 | N01 | H01 | 118.2° | 115.7° |
| H011 | C01 | H012 | 113.0° | 107.4° |
| C02 | N01 | H01 | 118.2° | 117.3° |
| N01 | C02 | N03 | 113.1° | 121.2° |
| N01 | C02 | N02 | 110.5° | 117.0° |
| N03 | C02 | N02 | 112.9° | 121.7° |
| C02 | N03 | H03 | 106.5° | 108.5° |
| C02 | N02 | H021 | 113.9° | 122.3° |
| C02 | N02 | H022 | 123.0° | 121.0° |
| H021 | N02 | H022 | 123.0° | 116.7° |
| C8 | N1 | HN1 | 121.0° | 121.2° |
| N1 | C8 | N3 | 119.7° | 115.5° |
| N1 | C8 | O2 | 119.2° | 121.7° |
| N3 | C8 | O2 | 121.1° | 122.9° |
| C8 | N3 | C48 | 120.6° | 125.9° |
| C8 | N3 | C39 | 122.1° | 118.9° |
| C48 | N3 | C39 | 117.2° | 114.8° |
| N3 | C48 | C49 | 106.3° | 111.9° |
| N3 | C48 | H481 | 110.5° | 107.0° |
| N3 | C48 | H482 | 111.2° | 111.6° |
| N3 | C39 | C40 | 109.2° | 112.1° |
| N3 | C39 | H391 | 109.6° | 110.9° |
| N3 | C39 | H392 | 109.6° | 106.8° |
| C40 | C39 | H391 | 109.6° | 109.6° |
| C40 | C39 | H392 | 109.6° | 110.4° |
| C39 | C40 | N4 | 108.7° | 110.4° |
| C39 | C40 | H401 | 109.7° | 108.6° |
| C39 | C40 | H402 | 109.9° | 109.8° |
| H391 | C39 | H392 | 109.2° | 107.0° |
| N4 | C40 | H401 | 109.7° | 109.8° |
| N4 | C40 | H402 | 109.9° | 110.6° |
| C40 | N4 | C49 | 109.9° | 110.1° |
| C40 | N4 | C33 | 109.8° | 110.6° |
| H401 | C40 | H402 | 108.9° | 107.5° |
| C49 | C48 | H481 | 110.5° | 110.6° |
| C49 | C48 | H482 | 111.2° | 107.8° |
| C48 | C49 | N4 | 109.9° | 111.4° |
| C48 | C49 | H491 | 109.3° | 109.4° |
| C48 | C49 | H492 | 109.2° | 108.5° |
| H481 | C48 | H482 | 107.1° | 107.8° |
| N4 | C49 | H491 | 109.3° | 110.3° |
| N4 | C49 | H492 | 109.2° | 109.9° |
| C49 | N4 | C33 | 108.3° | 110.5° |
| H491 | C49 | H492 | 109.9° | 107.3° |
| N4 | C33 | H331 | 109.5° | 110.1° |
| N4 | C33 | H332 | 109.4° | 110.2° |
| N4 | C33 | H333 | 109.5° | 110.2° |
| H331 | C33 | H332 | 109.4° | 108.8° |
| H331 | C33 | H333 | 109.5° | 108.8° |
| H332 | C33 | H333 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S1 | C28 | O4 | 122.0° | 133.4° |
| O5 | S1 | C28 | CAB | 119.9° | 113.6° |
| O5 | S1 | O4 | CAB | 123.7° | 122.0° |
| O5 | S1 | CAB | CAA | 85.6° | 154.9° |
| O5 | S1 | CAB | CAD | 95.1° | 25.1° |
| O5 | S1 | C28 | C27 | 76.2° | 66.4° |
| O5 | S1 | C28 | H28 | 103.8° | 113.3° |
| C28 | S1 | O4 | CAB | 115.9° | 110.1° |
| C28 | S1 | CAB | CAA | 155.7° | 90.0° |
| C28 | S1 | CAB | CAD | 23.6° | 90.0° |
| S1 | C28 | C27 | H28 | 180.0° | 179.7° |
| S1 | C28 | C27 | C18 | 122.7° | 179.4° |
| S1 | C28 | C27 | H27 | 57.3° | 0.1° |
| O4 | S1 | CAB | CAA | 38.6° | 25.5° |
| O4 | S1 | CAB | CAD | 140.7° | 154.5° |
| O4 | S1 | C28 | C27 | 45.8° | 66.9° |
| O4 | S1 | C28 | H28 | 134.2° | 113.3° |
| S1 | CAB | CAA | CAD | 179.3° | 180.0° |
| S1 | CAB | CAD | CAF | 179.5° | 180.0° |
| S1 | CAB | CAD | HAD | 0.5° | 0.1° |
| S1 | CAB | CAA | CAC | 179.3° | 180.0° |
| S1 | CAB | CAA | HAA | 0.7° | 0.0° |
| CAB | S1 | C28 | C27 | 163.9° | 180.0° |
| CAB | S1 | C28 | H28 | 16.1° | 0.3° |
| CAA | CAB | CAD | CAF | 0.2° | 0.0° |
| CAA | CAB | CAD | HAD | 179.8° | 179.9° |
| CAB | CAA | CAC | CAE | 0.4° | 0.0° |
| CAB | CAA | CAC | HAA | 180.0° | 180.0° |
| CAB | CAA | CAC | HAC | 179.6° | 179.9° |
| CAB | CAD | CAF | HAD | 180.0° | 179.9° |
| CAB | CAD | CAF | CAE | 0.0° | 0.0° |
| CAB | CAD | CAF | HAF | 180.0° | 179.9° |
| CAD | CAB | CAA | CAC | 0.0° | 0.0° |
| CAD | CAB | CAA | HAA | 180.0° | 180.0° |
| CAD | CAF | CAE | HAF | 180.0° | 179.9° |
| CAD | CAF | CAE | CAC | 0.4° | 0.0° |
| CAD | CAF | CAE | HAE | 179.6° | 180.0° |
| HAD | CAD | CAF | CAE | 180.0° | 179.9° |
| HAD | CAD | CAF | HAF | 0.0° | 0.2° |
| CAF | CAE | CAC | HAE | 180.0° | 180.0° |
| CAF | CAE | CAC | CAA | 0.6° | 0.0° |
| CAF | CAE | CAC | HAC | 179.4° | 179.9° |
| HAF | CAF | CAE | CAC | 179.6° | 179.9° |
| HAF | CAF | CAE | HAE | 0.4° | 0.1° |
| CAE | CAC | CAA | HAC | 180.0° | 180.0° |
| CAE | CAC | CAA | HAA | 179.6° | 179.9° |
| HAE | CAE | CAC | CAA | 179.4° | 180.0° |
| HAE | CAE | CAC | HAC | 0.6° | 0.0° |
| HAC | CAC | CAA | HAA | 0.4° | 0.1° |
| C28 | C27 | C18 | H27 | 180.0° | 179.6° |
| C28 | C27 | C18 | N2 | 61.1° | 114.9° |
| C28 | C27 | C18 | C19 | 56.8° | 123.6° |
| C28 | C27 | C18 | H18 | 177.6° | 0.0° |
| H28 | C28 | C27 | C18 | 57.3° | 0.3° |
| H28 | C28 | C27 | H27 | 122.7° | 179.8° |
| C27 | C18 | N2 | C19 | 119.8° | 123.3° |
| C27 | C18 | N2 | H18 | 119.4° | 118.4° |
| C27 | C18 | C19 | H18 | 119.4° | 124.3° |
| C27 | C18 | C19 | C20 | 160.1° | 178.2° |
| C27 | C18 | C19 | H191 | 79.9° | 60.0° |
| C27 | C18 | C19 | H192 | 40.1° | 54.9° |
| C27 | C18 | N2 | C17 | 116.6° | 88.4° |
| C27 | C18 | N2 | HN2 | 63.4° | 91.6° |
| H27 | C27 | C18 | N2 | 118.9° | 64.6° |
| H27 | C27 | C18 | C19 | 123.2° | 56.9° |
| H27 | C27 | C18 | H18 | 2.4° | 179.5° |
| N2 | C18 | C19 | H18 | 121.3° | 115.8° |
| N2 | C18 | C19 | C20 | 80.6° | 61.9° |
| N2 | C18 | C19 | H191 | 39.4° | 59.9° |
| N2 | C18 | C19 | H192 | 159.5° | 174.8° |
| C18 | N2 | C17 | HN2 | 180.0° | 180.0° |
| C18 | N2 | C17 | C9 | 179.1° | 178.6° |
| C18 | N2 | C17 | O3 | 1.6° | 0.0° |
| C18 | C19 | C20 | H191 | 120.0° | 122.4° |
| C18 | C19 | C20 | H192 | 120.0° | 123.0° |
| C18 | C19 | H191 | H192 | 120.0° | 117.0° |
| C18 | C19 | C20 | C21 | 175.2° | 177.6° |
| C18 | C19 | C20 | H201 | 55.2° | 53.0° |
| C18 | C19 | C20 | H202 | 66.0° | 62.0° |
| C19 | C18 | N2 | C17 | 123.6° | 148.3° |
| C19 | C18 | N2 | HN2 | 56.4° | 31.7° |
| H18 | C18 | C19 | C20 | 40.7° | 53.9° |
| H18 | C18 | C19 | H191 | 160.7° | 175.7° |
| H18 | C18 | C19 | H192 | 79.3° | 69.4° |
| H18 | C18 | N2 | C17 | 2.8° | 30.0° |
| H18 | C18 | N2 | HN2 | 177.2° | 150.0° |
| C20 | C19 | H191 | H192 | 120.0° | 117.2° |
| C19 | C20 | C21 | H201 | 120.0° | 124.5° |
| C19 | C20 | C21 | H202 | 118.9° | 121.0° |
| C19 | C20 | H201 | H202 | 118.9° | 117.1° |
| C19 | C20 | C21 | C26 | 109.6° | 90.0° |
| C19 | C20 | C21 | C22 | 71.3° | 90.0° |
| H191 | C19 | C20 | C21 | 64.8° | 60.0° |
| H191 | C19 | C20 | H201 | 175.2° | 175.4° |
| H191 | C19 | C20 | H202 | 54.0° | 60.5° |
| H192 | C19 | C20 | C21 | 55.2° | 54.6° |
| H192 | C19 | C20 | H201 | 64.8° | 70.0° |
| H192 | C19 | C20 | H202 | 174.1° | 175.0° |
| C21 | C20 | H201 | H202 | 118.9° | 116.1° |
| C20 | C21 | C26 | C22 | 179.1° | 180.0° |
| C20 | C21 | C26 | C25 | 179.8° | 180.0° |
| C20 | C21 | C26 | H26 | 0.3° | 0.0° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C20 | C21 | C22 | H22 | 0.2° | 0.0° |
| H201 | C20 | C21 | C26 | 130.4° | 145.6° |
| H201 | C20 | C21 | C22 | 48.6° | 34.4° |
| H202 | C20 | C21 | C26 | 9.3° | 31.0° |
| H202 | C20 | C21 | C22 | 169.8° | 149.0° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.3° | 0.0° |
| C21 | C26 | C25 | H25 | 179.7° | 180.0° |
| C26 | C21 | C22 | C23 | 0.7° | 0.0° |
| C26 | C21 | C22 | H22 | 179.3° | 180.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.0° |
| C22 | C21 | C26 | H26 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 179.6° | 180.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| H26 | C26 | C25 | C24 | 179.7° | 180.0° |
| H26 | C26 | C25 | H25 | 0.3° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| H25 | C25 | C24 | C23 | 180.0° | 180.0° |
| H25 | C25 | C24 | H24 | 0.0° | 0.0° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | H22 | 179.7° | 180.0° |
| H24 | C24 | C23 | C22 | 180.0° | 180.0° |
| H24 | C24 | C23 | H23 | 0.0° | 0.0° |
| H23 | C23 | C22 | H22 | 0.4° | 0.0° |
| N2 | C17 | C9 | O3 | 179.3° | 178.6° |
| N2 | C17 | C9 | N1 | 136.4° | 148.7° |
| N2 | C17 | C9 | C10 | 105.7° | 91.2° |
| N2 | C17 | C9 | H9 | 15.0° | 31.4° |
| HN2 | N2 | C17 | C9 | 0.9° | 1.5° |
| HN2 | N2 | C17 | O3 | 178.4° | 180.0° |
| C17 | C9 | N1 | C10 | 118.0° | 121.7° |
| C17 | C9 | N1 | H9 | 121.3° | 118.1° |
| C17 | C9 | C10 | H9 | 121.3° | 122.7° |
| C17 | C9 | C10 | C11 | 175.0° | 62.6° |
| C17 | C9 | C10 | H101 | 65.1° | 60.0° |
| C17 | C9 | C10 | H102 | 57.3° | 177.1° |
| C17 | C9 | N1 | C8 | 66.9° | 148.1° |
| C17 | C9 | N1 | HN1 | 113.1° | 37.9° |
| O3 | C17 | C9 | N1 | 44.3° | 32.7° |
| O3 | C17 | C9 | C10 | 73.6° | 87.4° |
| O3 | C17 | C9 | H9 | 165.6° | 150.0° |
| N1 | C9 | C10 | H9 | 121.4° | 119.8° |
| N1 | C9 | C10 | C11 | 67.7° | 55.0° |
| N1 | C9 | C10 | H101 | 52.3° | 177.6° |
| N1 | C9 | C10 | H102 | 174.6° | 65.3° |
| C9 | N1 | C8 | HN1 | 180.0° | 173.8° |
| C9 | N1 | C8 | N3 | 178.0° | 179.6° |
| C9 | N1 | C8 | O2 | 0.9° | 0.0° |
| C9 | C10 | C11 | H101 | 120.0° | 122.9° |
| C9 | C10 | C11 | H102 | 117.7° | 120.7° |
| C9 | C10 | H101 | H102 | 117.8° | 118.7° |
| C9 | C10 | C11 | C01 | 97.9° | 177.1° |
| C9 | C10 | C11 | H111 | 142.1° | 56.7° |
| C9 | C10 | C11 | H112 | 21.6° | 60.3° |
| C10 | C9 | N1 | C8 | 175.2° | 90.2° |
| C10 | C9 | N1 | HN1 | 4.8° | 83.8° |
| H9 | C9 | C10 | C11 | 53.7° | 174.8° |
| H9 | C9 | C10 | H101 | 173.7° | 62.7° |
| H9 | C9 | C10 | H102 | 64.0° | 54.5° |
| H9 | C9 | N1 | C8 | 54.4° | 30.0° |
| H9 | C9 | N1 | HN1 | 125.6° | 156.0° |
| C11 | C10 | H101 | H102 | 117.9° | 117.5° |
| C10 | C11 | C01 | H111 | 120.0° | 120.6° |
| C10 | C11 | C01 | H112 | 119.5° | 122.9° |
| C10 | C11 | H111 | H112 | 119.5° | 119.0° |
| C10 | C11 | C01 | N01 | 168.4° | 61.9° |
| C10 | C11 | C01 | H011 | 48.3° | 60.1° |
| C10 | C11 | C01 | H012 | 73.6° | 178.3° |
| H101 | C10 | C11 | C01 | 22.1° | 60.0° |
| H101 | C10 | C11 | H111 | 97.9° | 179.6° |
| H101 | C10 | C11 | H112 | 141.5° | 62.6° |
| H102 | C10 | C11 | C01 | 144.4° | 56.4° |
| H102 | C10 | C11 | H111 | 24.4° | 64.0° |
| H102 | C10 | C11 | H112 | 96.1° | 179.0° |
| C01 | C11 | H111 | H112 | 119.5° | 118.1° |
| C11 | C01 | N01 | H011 | 120.0° | 122.6° |
| C11 | C01 | N01 | H012 | 118.0° | 120.2° |
| C11 | C01 | H011 | H012 | 118.2° | 119.4° |
| C11 | C01 | N01 | C02 | 64.8° | 87.4° |
| C11 | C01 | N01 | H01 | 115.2° | 92.7° |
| H111 | C11 | C01 | N01 | 71.6° | 177.4° |
| H111 | C11 | C01 | H011 | 168.3° | 60.6° |
| H111 | C11 | C01 | H012 | 46.4° | 57.7° |
| H112 | C11 | C01 | N01 | 48.9° | 60.9° |
| H112 | C11 | C01 | H011 | 71.1° | 177.1° |
| H112 | C11 | C01 | H012 | 166.9° | 58.8° |
| N01 | C01 | H011 | H012 | 118.1° | 118.0° |
| C01 | N01 | C02 | H01 | 180.0° | 179.9° |
| C01 | N01 | C02 | N03 | 25.3° | 0.1° |
| C01 | N01 | C02 | N02 | 152.8° | 179.9° |
| H011 | C01 | N01 | C02 | 55.2° | 150.0° |
| H011 | C01 | N01 | H01 | 124.8° | 29.9° |
| H012 | C01 | N01 | C02 | 177.2° | 32.8° |
| H012 | C01 | N01 | H01 | 2.8° | 147.1° |
| N01 | C02 | N03 | N02 | 126.3° | 179.9° |
| N01 | C02 | N03 | H03 | 180.0° | 179.9° |
| N01 | C02 | N02 | H021 | 24.4° | 0.1° |
| N01 | C02 | N02 | H022 | 155.5° | 179.9° |
| H01 | N01 | C02 | N03 | 154.7° | 180.0° |
| H01 | N01 | C02 | N02 | 27.1° | 0.1° |
| N03 | C02 | N02 | H021 | 152.1° | 180.0° |
| N03 | C02 | N02 | H022 | 27.8° | 0.0° |
| N02 | C02 | N03 | H03 | 53.7° | 0.0° |
| C02 | N02 | H021 | H022 | 180.0° | 179.9° |
| N1 | C8 | N3 | O2 | 178.8° | 179.6° |
| N1 | C8 | N3 | C48 | 164.8° | 0.4° |
| N1 | C8 | N3 | C39 | 12.3° | 171.3° |
| HN1 | N1 | C8 | N3 | 2.0° | 5.9° |
| HN1 | N1 | C8 | O2 | 179.1° | 173.8° |
| C8 | N3 | C48 | C39 | 177.2° | 172.0° |
| C8 | N3 | C39 | C40 | 129.2° | 138.9° |
| C8 | N3 | C39 | H391 | 110.8° | 16.1° |
| C8 | N3 | C39 | H392 | 9.0° | 100.1° |
| C8 | N3 | C48 | C49 | 128.3° | 141.1° |
| C8 | N3 | C48 | H481 | 8.3° | 97.6° |
| C8 | N3 | C48 | H482 | 110.5° | 20.2° |
| O2 | C8 | N3 | C48 | 14.0° | 180.0° |
| O2 | C8 | N3 | C39 | 168.9° | 8.4° |
| C48 | N3 | C39 | C40 | 53.7° | 48.5° |
| C48 | N3 | C39 | H391 | 66.3° | 171.3° |
| C48 | N3 | C39 | H392 | 173.8° | 72.5° |
| N3 | C48 | C49 | H481 | 120.0° | 119.2° |
| N3 | C48 | C49 | H482 | 121.2° | 123.1° |
| N3 | C48 | H481 | H482 | 121.3° | 120.2° |
| N3 | C48 | C49 | N4 | 57.8° | 51.8° |
| N3 | C48 | C49 | H491 | 62.2° | 70.4° |
| N3 | C48 | C49 | H492 | 177.6° | 172.9° |
| N3 | C39 | C40 | H391 | 120.0° | 123.5° |
| N3 | C39 | C40 | H392 | 120.1° | 118.9° |
| N3 | C39 | H391 | H392 | 120.1° | 116.1° |
| N3 | C39 | C40 | N4 | 54.1° | 54.4° |
| N3 | C39 | C40 | H401 | 174.1° | 174.9° |
| N3 | C39 | C40 | H402 | 66.2° | 67.9° |
| C39 | N3 | C48 | C49 | 54.5° | 47.0° |
| C39 | N3 | C48 | H481 | 174.5° | 74.4° |
| C39 | N3 | C48 | H482 | 66.7° | 167.9° |
| C40 | C39 | H391 | H392 | 120.1° | 119.7° |
| C39 | C40 | N4 | H401 | 120.0° | 119.8° |
| C39 | C40 | N4 | H402 | 120.3° | 121.8° |
| C39 | C40 | H401 | H402 | 120.3° | 118.7° |
| C39 | C40 | N4 | C49 | 62.0° | 59.9° |
| C39 | C40 | N4 | C33 | 179.0° | 177.7° |
| H391 | C39 | C40 | N4 | 65.9° | 177.9° |
| H391 | C39 | C40 | H401 | 54.1° | 61.6° |
| H391 | C39 | C40 | H402 | 173.8° | 55.6° |
| H392 | C39 | C40 | N4 | 174.2° | 64.5° |
| H392 | C39 | C40 | H401 | 65.8° | 56.0° |
| H392 | C39 | C40 | H402 | 53.9° | 173.2° |
| N4 | C40 | H401 | H402 | 120.3° | 120.4° |
| C40 | N4 | C49 | C48 | 65.2° | 59.0° |
| C40 | N4 | C49 | C33 | 120.0° | 122.4° |
| C40 | N4 | C49 | H491 | 54.8° | 62.7° |
| C40 | N4 | C49 | H492 | 175.0° | 179.3° |
| C40 | N4 | C33 | H331 | 123.1° | 7.2° |
| C40 | N4 | C33 | H332 | 3.2° | 112.8° |
| C40 | N4 | C33 | H333 | 116.9° | 127.3° |
| H401 | C40 | N4 | C49 | 178.1° | 179.7° |
| H401 | C40 | N4 | C33 | 59.1° | 57.9° |
| H402 | C40 | N4 | C49 | 58.3° | 61.8° |
| H402 | C40 | N4 | C33 | 60.7° | 60.6° |
| C49 | C48 | H481 | H482 | 121.3° | 117.6° |
| C48 | C49 | N4 | H491 | 120.0° | 121.7° |
| C48 | C49 | N4 | H492 | 119.8° | 120.3° |
| C48 | C49 | H491 | H492 | 119.8° | 117.5° |
| C48 | C49 | N4 | C33 | 174.8° | 178.6° |
| H481 | C48 | C49 | N4 | 177.8° | 67.4° |
| H481 | C48 | C49 | H491 | 57.8° | 170.4° |
| H481 | C48 | C49 | H492 | 62.4° | 53.7° |
| H482 | C48 | C49 | N4 | 63.4° | 174.9° |
| H482 | C48 | C49 | H491 | 176.6° | 52.7° |
| H482 | C48 | C49 | H492 | 56.4° | 64.0° |
| N4 | C49 | H491 | H492 | 119.8° | 119.6° |
| C49 | N4 | C33 | H331 | 116.9° | 114.9° |
| C49 | N4 | C33 | H332 | 123.2° | 125.1° |
| C49 | N4 | C33 | H333 | 3.1° | 5.2° |
| H491 | C49 | N4 | C33 | 65.2° | 59.7° |
| H492 | C49 | N4 | C33 | 55.0° | 58.3° |
| N4 | C33 | H331 | H332 | 120.0° | 120.9° |
| N4 | C33 | H331 | H333 | 120.0° | 120.9° |
| N4 | C33 | H332 | H333 | 120.0° | 120.9° |
| H331 | C33 | H332 | H333 | 120.0° | 118.3° |
