M0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | O13 | sing | 1.43Å | 1.43Å | |
| C15 | N10 | sing | 1.47Å | 1.48Å | |
| O13 | C12 | sing | 1.43Å | 1.38Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C08 | S07 | sing | 1.81Å | 1.86Å | |
| N10 | C09 | sing | 1.47Å | 1.51Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.41Å | 1.47Å | |
| C02 | N20 | sing | 1.35Å | 1.46Å | |
| N16 | C03 | sing | 1.39Å | 1.35Å | Aromatic |
| N16 | C06 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.46Å | 1.48Å | |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| N20 | C19 | sing | 1.34Å | 1.44Å | |
| S07 | C06 | sing | 1.76Å | 1.72Å | |
| C06 | N05 | doub | 1.32Å | 1.34Å | Aromatic |
| C04 | N05 | sing | 1.33Å | 1.36Å | Aromatic |
| C04 | N17 | sing | 1.39Å | 1.36Å | |
| C19 | N17 | sing | 1.35Å | 1.41Å | |
| C19 | O22 | doub | 1.22Å | 1.21Å | |
| N17 | C18 | sing | 1.47Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | O13 | 113.3° | 109.3° |
| C14 | C15 | N10 | 108.4° | 109.3° |
| C15 | C14 | H141 | 108.5° | 109.6° |
| C15 | C14 | H142 | 108.5° | 109.5° |
| C14 | C15 | H151 | 109.7° | 109.5° |
| C14 | C15 | H152 | 109.8° | 109.5° |
| C14 | O13 | C12 | 111.4° | 113.7° |
| O13 | C14 | H141 | 108.5° | 109.5° |
| O13 | C14 | H142 | 108.5° | 109.5° |
| C15 | N10 | C09 | 113.2° | 111.0° |
| C15 | N10 | C11 | 114.3° | 110.8° |
| N10 | C15 | H151 | 109.7° | 109.6° |
| N10 | C15 | H152 | 109.7° | 109.5° |
| O13 | C12 | C11 | 112.4° | 109.3° |
| O13 | C12 | H121 | 108.8° | 109.5° |
| O13 | C12 | H122 | 108.7° | 109.6° |
| C09 | C08 | S07 | 114.5° | 109.4° |
| C08 | C09 | N10 | 112.1° | 109.5° |
| C09 | C08 | H082 | 108.2° | 109.4° |
| C09 | C08 | H081 | 108.2° | 109.4° |
| C08 | C09 | H091 | 108.8° | 109.5° |
| C08 | C09 | H092 | 108.8° | 109.5° |
| C08 | S07 | C06 | 109.1° | 100.0° |
| S07 | C08 | H082 | 108.2° | 109.5° |
| S07 | C08 | H081 | 108.2° | 109.5° |
| C09 | N10 | C11 | 105.4° | 111.0° |
| N10 | C09 | H091 | 108.8° | 109.5° |
| N10 | C09 | H092 | 108.8° | 109.5° |
| N10 | C11 | C12 | 108.1° | 109.3° |
| N10 | C11 | H111 | 109.8° | 109.5° |
| N10 | C11 | H112 | 109.8° | 109.5° |
| O01 | C02 | C03 | 123.7° | 120.3° |
| O01 | C02 | N20 | 123.0° | 120.4° |
| C12 | C11 | H111 | 109.8° | 109.5° |
| C12 | C11 | H112 | 109.8° | 109.5° |
| C11 | C12 | H121 | 108.7° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.5° |
| C03 | C02 | N20 | 113.2° | 119.3° |
| C02 | C03 | N16 | 130.4° | 134.4° |
| C02 | C03 | C04 | 122.7° | 119.2° |
| C02 | N20 | C21 | 119.6° | 119.5° |
| C02 | N20 | C19 | 123.7° | 121.0° |
| C03 | N16 | C06 | 106.4° | 106.7° |
| N16 | C03 | C04 | 106.9° | 106.4° |
| C03 | N16 | H161 | 126.8° | 126.6° |
| N16 | C06 | S07 | 123.2° | 125.3° |
| N16 | C06 | N05 | 111.6° | 109.4° |
| C06 | N16 | H161 | 126.8° | 126.7° |
| C21 | N20 | C19 | 116.7° | 119.5° |
| N20 | C21 | H212 | 109.5° | 109.5° |
| N20 | C21 | H211 | 109.5° | 109.5° |
| N20 | C21 | H213 | 109.5° | 109.4° |
| C03 | C04 | N05 | 109.1° | 107.5° |
| C03 | C04 | N17 | 120.1° | 118.8° |
| N20 | C19 | N17 | 116.7° | 121.6° |
| N20 | C19 | O22 | 121.9° | 119.1° |
| S07 | C06 | N05 | 125.2° | 125.3° |
| C06 | N05 | C04 | 106.0° | 110.0° |
| N05 | C04 | N17 | 130.8° | 133.7° |
| C04 | N17 | C19 | 123.6° | 120.1° |
| C04 | N17 | C18 | 120.0° | 120.0° |
| N17 | C19 | O22 | 121.4° | 119.2° |
| C19 | N17 | C18 | 116.4° | 120.0° |
| N17 | C18 | H183 | 109.5° | 109.5° |
| N17 | C18 | H182 | 109.5° | 109.4° |
| N17 | C18 | H181 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.6° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.4° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | O13 | H141 | 120.6° | 120.0° |
| C15 | C14 | O13 | H142 | 120.6° | 119.9° |
| C14 | C15 | N10 | H151 | 119.8° | 119.9° |
| C14 | C15 | N10 | H152 | 119.8° | 119.9° |
| C15 | C14 | O13 | C12 | 57.0° | 58.6° |
| C14 | C15 | N10 | C09 | 172.1° | 177.6° |
| C14 | C15 | N10 | C11 | 51.3° | 58.6° |
| C15 | C14 | H141 | H142 | 118.2° | 120.1° |
| C14 | C15 | H151 | H152 | 120.5° | 120.0° |
| O13 | C14 | C15 | N10 | 51.1° | 56.8° |
| C14 | O13 | C12 | C11 | 59.7° | 58.6° |
| C14 | O13 | C12 | H121 | 179.8° | 61.3° |
| C14 | O13 | C12 | H122 | 60.7° | 178.6° |
| O13 | C14 | H141 | H142 | 118.3° | 120.1° |
| O13 | C14 | C15 | H151 | 170.9° | 176.8° |
| O13 | C14 | C15 | H152 | 68.8° | 63.1° |
| C15 | N10 | C09 | C08 | 71.3° | 170.0° |
| C15 | N10 | C09 | C11 | 125.7° | 123.7° |
| C15 | N10 | C11 | C12 | 54.0° | 58.6° |
| C15 | N10 | C11 | H111 | 173.8° | 61.3° |
| C15 | N10 | C11 | H112 | 65.8° | 178.6° |
| N10 | C15 | C14 | H141 | 171.6° | 176.8° |
| N10 | C15 | C14 | H142 | 69.5° | 63.1° |
| C15 | N10 | C09 | H091 | 168.3° | 70.0° |
| C15 | N10 | C09 | H092 | 49.1° | 50.0° |
| N10 | C15 | H151 | H152 | 120.5° | 120.1° |
| O13 | C12 | C11 | N10 | 57.5° | 56.8° |
| O13 | C12 | C11 | H121 | 120.5° | 120.0° |
| O13 | C12 | C11 | H122 | 120.4° | 120.0° |
| O13 | C12 | C11 | H111 | 177.3° | 63.1° |
| O13 | C12 | C11 | H112 | 62.3° | 176.8° |
| O13 | C12 | H121 | H122 | 118.6° | 120.1° |
| C12 | O13 | C14 | H141 | 177.6° | 178.6° |
| C12 | O13 | C14 | H142 | 63.5° | 61.3° |
| C09 | C08 | S07 | H082 | 120.7° | 120.0° |
| C09 | C08 | S07 | H081 | 120.7° | 119.9° |
| C08 | C09 | N10 | H091 | 120.4° | 120.0° |
| C08 | C09 | N10 | H092 | 120.4° | 120.0° |
| C08 | C09 | N10 | C11 | 163.0° | 66.3° |
| C09 | C08 | S07 | C06 | 68.4° | 180.0° |
| C09 | C08 | H082 | H081 | 117.7° | 120.0° |
| C08 | C09 | H091 | H092 | 118.8° | 120.0° |
| S07 | C08 | C09 | N10 | 87.9° | 180.0° |
| C08 | S07 | C06 | N16 | 16.2° | 180.0° |
| C08 | S07 | C06 | N05 | 163.2° | 0.0° |
| S07 | C08 | H082 | H081 | 117.7° | 120.1° |
| S07 | C08 | C09 | H091 | 32.5° | 60.0° |
| S07 | C08 | C09 | H092 | 151.7° | 60.0° |
| C09 | N10 | C11 | C12 | 179.0° | 177.6° |
| C09 | N10 | C11 | H111 | 61.2° | 62.5° |
| C09 | N10 | C11 | H112 | 59.2° | 57.6° |
| N10 | C09 | C08 | H082 | 32.8° | 60.0° |
| N10 | C09 | C08 | H081 | 151.4° | 60.0° |
| N10 | C09 | H091 | H092 | 118.8° | 120.0° |
| C09 | N10 | C15 | H151 | 68.1° | 57.7° |
| C09 | N10 | C15 | H152 | 52.2° | 62.4° |
| N10 | C11 | C12 | H111 | 119.8° | 119.9° |
| N10 | C11 | C12 | H112 | 119.8° | 120.0° |
| N10 | C11 | H111 | H112 | 120.6° | 120.1° |
| N10 | C11 | C12 | H121 | 177.9° | 63.1° |
| N10 | C11 | C12 | H122 | 63.0° | 176.9° |
| C11 | N10 | C09 | H091 | 42.6° | 53.7° |
| C11 | N10 | C09 | H092 | 76.6° | 173.6° |
| C11 | N10 | C15 | H151 | 171.1° | 178.5° |
| C11 | N10 | C15 | H152 | 68.5° | 61.3° |
| O01 | C02 | C03 | N20 | 178.6° | 179.7° |
| O01 | C02 | C03 | N16 | 1.9° | 0.3° |
| O01 | C02 | N20 | C21 | 1.1° | 0.3° |
| O01 | C02 | C03 | C04 | 179.5° | 179.7° |
| O01 | C02 | N20 | C19 | 178.7° | 179.7° |
| C12 | C11 | H111 | H112 | 120.6° | 120.1° |
| C11 | C12 | H121 | H122 | 118.7° | 120.1° |
| C02 | C03 | N16 | C04 | 178.8° | 180.0° |
| C02 | C03 | N16 | C06 | 179.9° | 180.0° |
| C03 | C02 | N20 | C21 | 179.7° | 180.0° |
| C03 | C02 | N20 | C19 | 0.2° | 0.1° |
| C02 | C03 | C04 | N05 | 179.4° | 180.0° |
| C02 | C03 | C04 | N17 | 0.5° | 0.1° |
| C02 | C03 | N16 | H161 | 0.1° | 0.0° |
| N20 | C02 | C03 | N16 | 179.5° | 180.0° |
| C02 | N20 | C21 | C19 | 179.8° | 179.9° |
| N20 | C02 | C03 | C04 | 0.9° | 0.0° |
| C02 | N20 | C19 | N17 | 1.0° | 0.1° |
| C02 | N20 | C19 | O22 | 178.9° | 180.0° |
| C02 | N20 | C21 | H212 | 180.0° | 0.0° |
| C02 | N20 | C21 | H211 | 60.0° | 120.0° |
| C02 | N20 | C21 | H213 | 60.0° | 120.0° |
| C03 | N16 | C06 | H161 | 180.0° | 179.9° |
| C03 | N16 | C06 | S07 | 179.2° | 180.0° |
| C03 | N16 | C06 | N05 | 1.3° | 0.1° |
| N16 | C03 | C04 | N05 | 0.6° | 0.0° |
| N16 | C03 | C04 | N17 | 179.3° | 180.0° |
| C06 | N16 | C03 | C04 | 1.1° | 0.0° |
| N16 | C06 | S07 | N05 | 179.4° | 180.0° |
| N16 | C06 | N05 | C04 | 1.0° | 0.1° |
| C21 | N20 | C19 | N17 | 179.2° | 179.9° |
| C21 | N20 | C19 | O22 | 1.0° | 0.0° |
| N20 | C21 | H212 | H211 | 120.0° | 120.0° |
| N20 | C21 | H212 | H213 | 120.0° | 120.0° |
| N20 | C21 | H211 | H213 | 120.0° | 119.9° |
| C03 | C04 | N05 | C06 | 0.2° | 0.0° |
| C03 | C04 | N05 | N17 | 179.9° | 179.9° |
| C03 | C04 | N17 | C19 | 0.8° | 0.1° |
| C03 | C04 | N17 | C18 | 179.1° | 180.0° |
| C04 | C03 | N16 | H161 | 178.9° | 179.9° |
| N20 | C19 | N17 | C04 | 1.5° | 0.1° |
| N20 | C19 | N17 | O22 | 179.8° | 179.9° |
| N20 | C19 | N17 | C18 | 179.8° | 180.0° |
| C19 | N20 | C21 | H212 | 0.1° | 179.9° |
| C19 | N20 | C21 | H211 | 119.8° | 60.0° |
| C19 | N20 | C21 | H213 | 120.1° | 59.9° |
| S07 | C06 | N05 | C04 | 179.6° | 180.0° |
| C06 | S07 | C08 | H082 | 52.3° | 60.1° |
| C06 | S07 | C08 | H081 | 170.8° | 60.1° |
| S07 | C06 | N16 | H161 | 0.8° | 0.0° |
| C06 | N05 | C04 | N17 | 179.9° | 180.0° |
| N05 | C06 | N16 | H161 | 178.7° | 180.0° |
| N05 | C04 | N17 | C19 | 179.3° | 180.0° |
| N05 | C04 | N17 | C18 | 1.0° | 0.1° |
| C04 | N17 | C19 | C18 | 178.3° | 179.9° |
| C04 | N17 | C19 | O22 | 178.3° | 180.0° |
| C04 | N17 | C18 | H183 | 180.0° | 90.0° |
| C04 | N17 | C18 | H182 | 60.0° | 150.1° |
| C04 | N17 | C18 | H181 | 60.0° | 30.1° |
| C19 | N17 | C18 | H183 | 1.7° | 89.9° |
| C19 | N17 | C18 | H182 | 121.6° | 30.0° |
| C19 | N17 | C18 | H181 | 118.4° | 150.0° |
| O22 | C19 | N17 | C18 | 0.0° | 0.1° |
| N17 | C18 | H183 | H182 | 120.0° | 119.9° |
| N17 | C18 | H183 | H181 | 120.0° | 120.0° |
| N17 | C18 | H182 | H181 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 62.3° | 177.0° |
| H111 | C11 | C12 | H122 | 56.8° | 56.9° |
| H112 | C11 | C12 | H121 | 58.1° | 56.9° |
| H112 | C11 | C12 | H122 | 177.2° | 63.2° |
| H141 | C14 | C15 | H151 | 68.6° | 63.2° |
| H141 | C14 | C15 | H152 | 51.8° | 56.8° |
| H142 | C14 | C15 | H151 | 50.3° | 56.9° |
| H142 | C14 | C15 | H152 | 170.6° | 177.0° |
| H082 | C08 | C09 | H091 | 153.2° | 60.0° |
| H082 | C08 | C09 | H092 | 87.5° | 180.0° |
| H081 | C08 | C09 | H091 | 88.2° | 180.0° |
| H081 | C08 | C09 | H092 | 31.0° | 60.0° |
| H183 | C18 | H182 | H181 | 120.0° | 120.1° |
| H212 | C21 | H211 | H213 | 120.0° | 120.0° |
