M0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O13 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| O13 | C12 | sing | 1.43Å | 1.39Å | |
| C15 | N10 | sing | 1.47Å | 1.52Å | |
| N10 | C11 | sing | 1.47Å | 1.50Å | |
| N10 | C09 | sing | 1.47Å | 1.50Å | |
| C08 | S07 | sing | 1.81Å | 1.89Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| S01 | C02 | doub | 1.71Å | 1.62Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C21 | N20 | sing | 1.47Å | 1.51Å | |
| S07 | C06 | sing | 1.81Å | 1.94Å | |
| C02 | N20 | sing | 1.35Å | 1.41Å | |
| C02 | C03 | sing | 1.41Å | 1.44Å | |
| N20 | C19 | sing | 1.34Å | 1.44Å | |
| N16 | C03 | sing | 1.41Å | 1.42Å | |
| N16 | C06 | sing | 1.47Å | 1.44Å | |
| C03 | C04 | doub | 1.36Å | 1.41Å | |
| C19 | O22 | doub | 1.22Å | 1.22Å | |
| C19 | N17 | sing | 1.34Å | 1.46Å | |
| C06 | N05 | sing | 1.47Å | 1.47Å | |
| C04 | N17 | sing | 1.38Å | 1.41Å | |
| C04 | N05 | sing | 1.38Å | 1.42Å | |
| N17 | C18 | sing | 1.47Å | 1.51Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | 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 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C14 | C15 | 112.8° | 109.2° |
| C14 | O13 | C12 | 111.7° | 113.7° |
| O13 | C14 | H141 | 108.6° | 109.5° |
| O13 | C14 | H142 | 108.6° | 109.5° |
| C14 | C15 | N10 | 117.1° | 109.2° |
| C15 | C14 | H141 | 108.7° | 109.6° |
| C15 | C14 | H142 | 108.6° | 109.5° |
| C14 | C15 | H151 | 107.5° | 109.6° |
| C14 | C15 | H152 | 107.5° | 109.5° |
| O13 | C12 | C11 | 109.6° | 109.2° |
| O13 | C12 | H122 | 109.5° | 109.5° |
| O13 | C12 | H121 | 109.4° | 109.6° |
| C15 | N10 | C11 | 113.8° | 110.7° |
| C15 | N10 | C09 | 115.0° | 111.0° |
| N10 | C15 | H151 | 107.6° | 109.5° |
| N10 | C15 | H152 | 107.5° | 109.4° |
| C11 | N10 | C09 | 108.6° | 111.0° |
| N10 | C11 | C12 | 114.4° | 109.3° |
| N10 | C11 | H112 | 108.3° | 109.5° |
| N10 | C11 | H111 | 108.2° | 109.5° |
| N10 | C09 | C08 | 111.6° | 109.5° |
| N10 | C09 | H091 | 109.0° | 109.4° |
| N10 | C09 | H092 | 108.9° | 109.5° |
| S07 | C08 | C09 | 108.3° | 109.5° |
| C08 | S07 | C06 | 113.7° | 103.0° |
| S07 | C08 | H081 | 109.8° | 109.4° |
| S07 | C08 | H082 | 109.8° | 109.5° |
| C09 | C08 | H081 | 109.7° | 109.5° |
| C09 | C08 | H082 | 109.8° | 109.5° |
| C08 | C09 | H091 | 108.9° | 109.5° |
| C08 | C09 | H092 | 109.0° | 109.5° |
| S01 | C02 | N20 | 117.9° | 120.2° |
| S01 | C02 | C03 | 124.4° | 120.2° |
| C12 | C11 | H112 | 108.2° | 109.6° |
| C12 | C11 | H111 | 108.2° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C21 | N20 | C02 | 122.0° | 119.7° |
| C21 | N20 | C19 | 116.9° | 119.7° |
| N20 | C21 | H213 | 109.5° | 109.5° |
| N20 | C21 | H212 | 109.5° | 109.5° |
| N20 | C21 | H211 | 109.5° | 109.4° |
| S07 | C06 | N16 | 114.6° | 110.4° |
| S07 | C06 | N05 | 119.2° | 110.3° |
| S07 | C06 | H061 | 103.5° | 110.3° |
| N20 | C02 | C03 | 117.7° | 119.7° |
| C02 | N20 | C19 | 121.1° | 120.5° |
| C02 | C03 | N16 | 129.9° | 130.8° |
| C02 | C03 | C04 | 122.6° | 119.2° |
| N20 | C19 | O22 | 120.6° | 119.5° |
| N20 | C19 | N17 | 119.1° | 121.1° |
| C03 | N16 | C06 | 111.4° | 106.4° |
| N16 | C03 | C04 | 107.4° | 110.0° |
| C03 | N16 | H161 | 109.0° | 126.8° |
| N16 | C06 | N05 | 103.0° | 105.2° |
| N16 | C06 | H061 | 108.3° | 110.3° |
| C06 | N16 | H161 | 109.0° | 126.8° |
| C03 | C04 | N17 | 119.6° | 119.1° |
| C03 | C04 | N05 | 108.4° | 110.6° |
| O22 | C19 | N17 | 120.3° | 119.4° |
| C19 | N17 | C04 | 119.9° | 120.5° |
| C19 | N17 | C18 | 117.2° | 119.8° |
| C06 | N05 | C04 | 109.4° | 107.8° |
| N05 | C06 | H061 | 107.8° | 110.3° |
| C06 | N05 | H051 | 109.5° | 126.1° |
| N17 | C04 | N05 | 132.0° | 130.3° |
| C04 | N17 | C18 | 122.9° | 119.8° |
| C04 | N05 | H051 | 109.4° | 126.1° |
| N17 | C18 | H181 | 109.5° | 109.4° |
| N17 | C18 | H183 | 109.5° | 109.5° |
| N17 | C18 | H182 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 109.4° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C14 | C15 | H141 | 120.5° | 120.0° |
| O13 | C14 | C15 | H142 | 120.5° | 119.9° |
| O13 | C14 | C15 | N10 | 4.2° | 56.9° |
| C14 | O13 | C12 | C11 | 73.0° | 58.7° |
| C14 | O13 | C12 | H122 | 167.0° | 178.6° |
| C14 | O13 | C12 | H121 | 47.0° | 61.2° |
| O13 | C14 | H141 | H142 | 118.5° | 120.1° |
| O13 | C14 | C15 | H151 | 117.0° | 63.0° |
| O13 | C14 | C15 | H152 | 125.3° | 176.8° |
| C15 | C14 | O13 | C12 | 48.5° | 58.8° |
| C14 | C15 | N10 | H151 | 121.1° | 120.0° |
| C14 | C15 | N10 | H152 | 121.1° | 119.9° |
| C14 | C15 | N10 | C11 | 31.0° | 58.6° |
| C14 | C15 | N10 | C09 | 157.2° | 177.6° |
| C15 | C14 | H141 | H142 | 118.5° | 120.1° |
| C14 | C15 | H151 | H152 | 116.5° | 120.2° |
| O13 | C12 | C11 | N10 | 41.3° | 56.9° |
| O13 | C12 | C11 | H122 | 120.0° | 119.9° |
| O13 | C12 | C11 | H121 | 120.0° | 120.0° |
| O13 | C12 | C11 | H112 | 162.1° | 176.8° |
| O13 | C12 | C11 | H111 | 79.4° | 63.1° |
| O13 | C12 | H122 | H121 | 119.9° | 120.2° |
| C12 | O13 | C14 | H141 | 72.0° | 61.2° |
| C12 | O13 | C14 | H142 | 169.0° | 178.7° |
| C15 | N10 | C11 | C09 | 129.5° | 123.7° |
| C15 | N10 | C09 | C08 | 45.7° | 170.0° |
| C15 | N10 | C11 | C12 | 8.3° | 58.6° |
| C15 | N10 | C11 | H112 | 112.4° | 178.6° |
| C15 | N10 | C11 | H111 | 129.0° | 61.3° |
| N10 | C15 | C14 | H141 | 124.7° | 63.0° |
| N10 | C15 | C14 | H142 | 116.3° | 176.8° |
| C15 | N10 | C09 | H091 | 166.0° | 50.0° |
| C15 | N10 | C09 | H092 | 74.6° | 69.9° |
| N10 | C15 | H151 | H152 | 116.6° | 120.0° |
| C11 | N10 | C09 | C08 | 174.5° | 66.4° |
| N10 | C11 | C12 | H112 | 120.7° | 120.0° |
| N10 | C11 | C12 | H111 | 120.7° | 119.9° |
| N10 | C11 | H112 | H111 | 117.8° | 120.0° |
| N10 | C11 | C12 | H122 | 161.3° | 176.8° |
| N10 | C11 | C12 | H121 | 78.7° | 63.1° |
| C11 | N10 | C09 | H091 | 65.1° | 173.6° |
| C11 | N10 | C09 | H092 | 54.2° | 53.7° |
| C11 | N10 | C15 | H151 | 90.1° | 61.4° |
| C11 | N10 | C15 | H152 | 152.1° | 178.6° |
| N10 | C09 | C08 | S07 | 126.9° | 180.0° |
| N10 | C09 | C08 | H091 | 120.3° | 120.0° |
| N10 | C09 | C08 | H092 | 120.3° | 120.0° |
| C09 | N10 | C11 | C12 | 137.8° | 177.7° |
| C09 | N10 | C11 | H112 | 17.1° | 57.7° |
| C09 | N10 | C11 | H111 | 101.5° | 62.4° |
| N10 | C09 | C08 | H081 | 113.2° | 60.0° |
| N10 | C09 | C08 | H082 | 7.1° | 60.0° |
| N10 | C09 | H091 | H092 | 119.0° | 120.0° |
| C09 | N10 | C15 | H151 | 36.1° | 62.4° |
| C09 | N10 | C15 | H152 | 81.7° | 57.7° |
| S07 | C08 | C09 | H081 | 119.8° | 119.9° |
| S07 | C08 | C09 | H082 | 119.8° | 120.0° |
| C08 | S07 | C06 | N16 | 43.3° | 55.8° |
| C08 | S07 | C06 | N05 | 166.0° | 60.0° |
| C08 | S07 | C06 | H061 | 74.3° | 177.9° |
| S07 | C08 | H081 | H082 | 120.6° | 120.0° |
| S07 | C08 | C09 | H091 | 112.7° | 60.0° |
| S07 | C08 | C09 | H092 | 6.6° | 60.0° |
| C09 | C08 | S07 | C06 | 16.6° | 180.0° |
| C09 | C08 | H081 | H082 | 120.5° | 120.0° |
| C08 | C09 | H091 | H092 | 119.0° | 120.0° |
| S01 | C02 | N20 | C21 | 0.1° | 0.2° |
| S01 | C02 | N20 | C03 | 179.9° | 179.8° |
| S01 | C02 | N20 | C19 | 179.8° | 179.8° |
| S01 | C02 | C03 | N16 | 0.4° | 0.3° |
| S01 | C02 | C03 | C04 | 179.8° | 179.8° |
| C12 | C11 | H112 | H111 | 117.8° | 120.1° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C21 | N20 | C02 | C19 | 179.9° | 180.0° |
| C21 | N20 | C02 | C03 | 179.8° | 180.0° |
| C21 | N20 | C19 | O22 | 0.1° | 0.0° |
| C21 | N20 | C19 | N17 | 180.0° | 180.0° |
| N20 | C21 | H213 | H212 | 120.0° | 120.0° |
| N20 | C21 | H213 | H211 | 120.0° | 120.0° |
| N20 | C21 | H212 | H211 | 120.0° | 120.0° |
| S07 | C06 | N16 | C03 | 136.2° | 119.0° |
| S07 | C06 | N16 | N05 | 131.1° | 119.0° |
| S07 | C06 | N16 | H061 | 114.9° | 122.1° |
| S07 | C06 | N05 | H061 | 117.4° | 122.1° |
| S07 | C06 | N05 | C04 | 133.6° | 119.0° |
| C06 | S07 | C08 | H081 | 136.4° | 60.0° |
| C06 | S07 | C08 | H082 | 103.2° | 60.0° |
| S07 | C06 | N05 | H051 | 13.7° | 61.0° |
| S07 | C06 | N16 | H161 | 15.9° | 61.0° |
| N20 | C02 | C03 | N16 | 179.7° | 180.0° |
| N20 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | N20 | C19 | O22 | 179.9° | 180.0° |
| C02 | N20 | C19 | N17 | 0.1° | 0.0° |
| C02 | N20 | C21 | H213 | 180.0° | 90.0° |
| C02 | N20 | C21 | H212 | 60.0° | 150.0° |
| C02 | N20 | C21 | H211 | 60.0° | 30.0° |
| C03 | C02 | N20 | C19 | 0.3° | 0.0° |
| C02 | C03 | N16 | C04 | 179.5° | 179.9° |
| C02 | C03 | N16 | C06 | 177.5° | 180.0° |
| C02 | C03 | C04 | N17 | 0.2° | 0.0° |
| C02 | C03 | C04 | N05 | 179.0° | 180.0° |
| C02 | C03 | N16 | H161 | 62.2° | 0.1° |
| N20 | C19 | O22 | N17 | 180.0° | 180.0° |
| N20 | C19 | N17 | C04 | 0.1° | 0.0° |
| N20 | C19 | N17 | C18 | 179.8° | 180.0° |
| C19 | N20 | C21 | H213 | 0.1° | 90.0° |
| C19 | N20 | C21 | H212 | 120.1° | 30.0° |
| C19 | N20 | C21 | H211 | 119.9° | 150.0° |
| C03 | N16 | C06 | H161 | 120.3° | 180.0° |
| C03 | N16 | C06 | N05 | 5.2° | 0.0° |
| N16 | C03 | C04 | N17 | 179.7° | 180.0° |
| N16 | C03 | C04 | N05 | 0.5° | 0.0° |
| C03 | N16 | C06 | H061 | 108.9° | 118.9° |
| C06 | N16 | C03 | C04 | 3.1° | 0.0° |
| N16 | C06 | N05 | H061 | 114.4° | 118.9° |
| N16 | C06 | N05 | C04 | 5.4° | 0.0° |
| N16 | C06 | N05 | H051 | 114.5° | 180.0° |
| C03 | C04 | N17 | C19 | 0.0° | 0.0° |
| C03 | C04 | N05 | C06 | 3.8° | 0.0° |
| C03 | C04 | N17 | N05 | 178.9° | 180.0° |
| C03 | C04 | N17 | C18 | 179.8° | 180.0° |
| C03 | C04 | N05 | H051 | 116.2° | 180.0° |
| C04 | C03 | N16 | H161 | 117.2° | 180.0° |
| O22 | C19 | N17 | C04 | 180.0° | 180.0° |
| O22 | C19 | N17 | C18 | 0.2° | 0.0° |
| C19 | N17 | C04 | C18 | 179.8° | 180.0° |
| C19 | N17 | C04 | N05 | 178.9° | 180.0° |
| C19 | N17 | C18 | H181 | 180.0° | 90.0° |
| C19 | N17 | C18 | H183 | 60.0° | 30.0° |
| C19 | N17 | C18 | H182 | 60.0° | 150.1° |
| C06 | N05 | C04 | N17 | 177.2° | 180.0° |
| C06 | N05 | C04 | H051 | 120.0° | 180.0° |
| N05 | C06 | N16 | H161 | 115.1° | 180.0° |
| C04 | N17 | C18 | H181 | 0.2° | 90.0° |
| C04 | N17 | C18 | H183 | 119.8° | 150.0° |
| C04 | N17 | C18 | H182 | 120.2° | 30.0° |
| N17 | C04 | N05 | H051 | 62.8° | 0.0° |
| N05 | C04 | N17 | C18 | 1.3° | 0.0° |
| C04 | N05 | C06 | H061 | 109.0° | 118.9° |
| N17 | C18 | H181 | H183 | 120.0° | 120.0° |
| N17 | C18 | H181 | H182 | 120.0° | 120.0° |
| N17 | C18 | H183 | H182 | 119.9° | 120.0° |
| H112 | C11 | C12 | H122 | 77.9° | 63.3° |
| H112 | C11 | C12 | H121 | 42.1° | 56.8° |
| H111 | C11 | C12 | H122 | 40.6° | 56.9° |
| H111 | C11 | C12 | H121 | 160.6° | 176.9° |
| H141 | C14 | C15 | H151 | 3.6° | 177.0° |
| H141 | C14 | C15 | H152 | 114.2° | 56.8° |
| H142 | C14 | C15 | H151 | 122.6° | 56.8° |
| H142 | C14 | C15 | H152 | 4.8° | 63.3° |
| H061 | C06 | N05 | H051 | 131.1° | 61.1° |
| H061 | C06 | N16 | H161 | 130.8° | 61.1° |
| H081 | C08 | C09 | H091 | 7.1° | 60.0° |
| H081 | C08 | C09 | H092 | 126.4° | 180.0° |
| H082 | C08 | C09 | H091 | 127.4° | 180.0° |
| H082 | C08 | C09 | H092 | 113.3° | 60.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H213 | C21 | H212 | H211 | 120.0° | 120.0° |
