AMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | HA | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HC | sing | 0.97Å | 0.95Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| O1 | H154 | sing | 0.97Å | 0.95Å | |
| C1 | H155 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | S1 | sing | 1.82Å | 1.78Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C5 | N1 | sing | 1.46Å | 1.47Å | |
| C1 | N1 | sing | 1.49Å | 1.46Å | |
| S1 | C7 | sing | 1.76Å | 1.75Å | |
| N1 | C7 | sing | 1.36Å | 1.46Å | |
| C7 | N2 | doub | 1.30Å | 1.44Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 110.2° | 109.5° |
| C11 | C10 | H101 | 110.2° | 109.5° |
| C11 | C10 | H102 | 110.6° | 109.5° |
| C10 | C11 | H111 | 109.2° | 109.5° |
| C10 | C11 | H112 | 109.0° | 109.5° |
| C11 | C10 | C9 | 107.4° | 109.5° |
| C11 | C12 | C13 | 109.8° | 109.5° |
| C12 | C11 | H111 | 109.2° | 109.5° |
| C12 | C11 | H112 | 109.1° | 109.5° |
| C11 | C12 | H121 | 109.4° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| C12 | C13 | C14 | 109.1° | 109.5° |
| C13 | C12 | H121 | 109.4° | 109.5° |
| C13 | C12 | H122 | 109.3° | 109.5° |
| C12 | C13 | H131 | 109.6° | 109.5° |
| C12 | C13 | H132 | 109.7° | 109.5° |
| C13 | C14 | C15 | 109.0° | 109.5° |
| C14 | C13 | H131 | 109.6° | 109.5° |
| C14 | C13 | H132 | 109.7° | 109.4° |
| C13 | C14 | H141 | 109.6° | 109.5° |
| C13 | C14 | H142 | 109.7° | 109.5° |
| C15 | C14 | H141 | 109.6° | 109.5° |
| C15 | C14 | H142 | 109.8° | 109.4° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.4° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| H4 | O4 | C4 | 109.5° | 113.9° |
| HA | C4 | O4 | 109.4° | 109.5° |
| HA | C4 | C5 | 113.8° | 109.6° |
| HA | C4 | C3 | 108.6° | 109.6° |
| H5 | C5 | C4 | 105.7° | 108.3° |
| H5 | C5 | C6 | 106.5° | 108.3° |
| H5 | C5 | N1 | 114.8° | 108.3° |
| H3 | C3 | C4 | 105.8° | 109.4° |
| H3 | C3 | O3 | 111.3° | 109.4° |
| H3 | C3 | C2 | 113.9° | 109.4° |
| H61C | C6 | H62C | 109.1° | 110.4° |
| H61C | C6 | C5 | 109.6° | 110.5° |
| H61C | C6 | S1 | 109.6° | 110.5° |
| H62C | C6 | C5 | 109.7° | 110.4° |
| H62C | C6 | S1 | 109.7° | 110.5° |
| HB | O3 | C3 | 109.5° | 114.0° |
| H2 | C2 | C3 | 106.0° | 109.4° |
| H2 | C2 | O2 | 113.4° | 109.4° |
| H2 | C2 | C1 | 107.1° | 109.4° |
| HC | O2 | C2 | 109.5° | 114.0° |
| H81C | C8 | H82C | 110.3° | 109.5° |
| H81C | C8 | N2 | 109.1° | 109.5° |
| H81C | C8 | C9 | 109.1° | 109.4° |
| H82C | C8 | N2 | 108.9° | 109.5° |
| H82C | C8 | C9 | 108.9° | 109.4° |
| H91C | C9 | H92C | 111.6° | 109.4° |
| H91C | C9 | C8 | 108.6° | 109.5° |
| H91C | C9 | C10 | 108.6° | 109.5° |
| H92C | C9 | C8 | 108.0° | 109.5° |
| H92C | C9 | C10 | 108.0° | 109.5° |
| H101 | C10 | H102 | 107.9° | 109.5° |
| H101 | C10 | C9 | 110.2° | 109.5° |
| H102 | C10 | C9 | 110.6° | 109.4° |
| H111 | C11 | H112 | 110.0° | 109.4° |
| H121 | C12 | H122 | 109.7° | 109.4° |
| H131 | C13 | H132 | 109.2° | 109.4° |
| H141 | C14 | H142 | 109.1° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.4° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H154 | O1 | C1 | 109.5° | 114.0° |
| H155 | C1 | C2 | 106.3° | 109.9° |
| H155 | C1 | O1 | 111.9° | 109.8° |
| H155 | C1 | N1 | 103.8° | 109.9° |
| O4 | C4 | C5 | 106.3° | 109.6° |
| O4 | C4 | C3 | 111.7° | 109.6° |
| C4 | C5 | C6 | 115.7° | 110.5° |
| C5 | C4 | C3 | 107.1° | 109.0° |
| C4 | C5 | N1 | 107.6° | 109.2° |
| C5 | C6 | S1 | 109.0° | 104.4° |
| C6 | C5 | N1 | 106.9° | 112.1° |
| C6 | S1 | C7 | 91.9° | 96.2° |
| C4 | C3 | O3 | 112.3° | 109.4° |
| C4 | C3 | C2 | 109.7° | 109.9° |
| O3 | C3 | C2 | 104.0° | 109.4° |
| C3 | C2 | O2 | 108.5° | 109.4° |
| C3 | C2 | C1 | 114.6° | 109.7° |
| O2 | C2 | C1 | 107.4° | 109.4° |
| C2 | C1 | O1 | 108.4° | 109.8° |
| C2 | C1 | N1 | 115.8° | 107.5° |
| O1 | C1 | N1 | 110.6° | 109.8° |
| C5 | N1 | C1 | 123.7° | 121.0° |
| C5 | N1 | C7 | 110.6° | 117.3° |
| C1 | N1 | C7 | 124.1° | 121.7° |
| S1 | C7 | N1 | 113.0° | 109.8° |
| S1 | C7 | N2 | 119.8° | 125.0° |
| N1 | C7 | N2 | 118.8° | 125.2° |
| C7 | N2 | C8 | 118.4° | 120.0° |
| N2 | C8 | C9 | 110.5° | 109.5° |
| C8 | C9 | C10 | 112.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H111 | 120.0° | 120.1° |
| C10 | C11 | C12 | H112 | 119.7° | 120.0° |
| C10 | C11 | C12 | C13 | 155.8° | NaN° |
| C11 | C10 | C9 | H91C | 59.5° | 59.9° |
| C11 | C10 | C9 | H92C | 61.6° | 60.0° |
| C11 | C10 | H101 | H102 | 120.9° | 120.0° |
| C11 | C10 | H101 | C9 | 118.3° | 120.0° |
| C11 | C10 | H102 | C9 | 118.9° | 120.0° |
| C10 | C11 | H111 | H112 | 119.7° | 120.0° |
| C10 | C11 | C12 | H121 | 35.8° | 59.9° |
| C10 | C11 | C12 | H122 | 84.3° | 60.0° |
| C11 | C10 | C9 | C8 | 179.5° | 180.0° |
| C11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C11 | C12 | C13 | H122 | 119.9° | 120.0° |
| C11 | C12 | C13 | C14 | 140.9° | 180.0° |
| C12 | C11 | C10 | H101 | 61.6° | 60.0° |
| C12 | C11 | C10 | H102 | 57.6° | 60.0° |
| C12 | C11 | H111 | H112 | 119.7° | 120.0° |
| C11 | C12 | H121 | H122 | 119.9° | 120.0° |
| C11 | C12 | C13 | H131 | 20.9° | 60.0° |
| C11 | C12 | C13 | H132 | 99.0° | 60.0° |
| C12 | C11 | C10 | C9 | 178.4° | 180.0° |
| C12 | C13 | C14 | H131 | 120.0° | 120.1° |
| C12 | C13 | C14 | H132 | 120.1° | 120.0° |
| C12 | C13 | C14 | C15 | 161.1° | 180.0° |
| C13 | C12 | C11 | H111 | 84.2° | 59.9° |
| C13 | C12 | C11 | H112 | 36.1° | 60.0° |
| C13 | C12 | H121 | H122 | 119.9° | 120.0° |
| C12 | C13 | H131 | H132 | 120.1° | 120.0° |
| C12 | C13 | C14 | H141 | 79.0° | 59.9° |
| C12 | C13 | C14 | H142 | 40.8° | 60.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 120.2° | 120.0° |
| C14 | C13 | C12 | H121 | 99.1° | 60.0° |
| C14 | C13 | C12 | H122 | 21.0° | 60.0° |
| C14 | C13 | H131 | H132 | 120.2° | 119.9° |
| C13 | C14 | H141 | H142 | 120.2° | 120.0° |
| C13 | C14 | C15 | H151 | 146.0° | 60.0° |
| C13 | C14 | C15 | H152 | 94.0° | 60.0° |
| C13 | C14 | C15 | H153 | 26.0° | 180.0° |
| C15 | C14 | C13 | H131 | 41.1° | 60.0° |
| C15 | C14 | C13 | H132 | 78.8° | 60.0° |
| C15 | C14 | H141 | H142 | 120.2° | 119.9° |
| C14 | C15 | H151 | H152 | 120.0° | 119.9° |
| C14 | C15 | H151 | H153 | 120.0° | 120.1° |
| C14 | C15 | H152 | H153 | 120.0° | 120.1° |
| H4 | O4 | C4 | HA | 60.6° | 60.0° |
| H4 | O4 | C4 | C5 | 176.1° | 179.8° |
| H4 | O4 | C4 | C3 | 59.6° | 60.3° |
| HA | C4 | C5 | H5 | 179.1° | 175.1° |
| HA | C4 | C3 | H3 | 177.9° | 178.3° |
| HA | C4 | O4 | C5 | 123.3° | 120.2° |
| HA | C4 | O4 | C3 | 120.2° | 120.2° |
| HA | C4 | C5 | C3 | 120.1° | 119.9° |
| HA | C4 | C5 | C6 | 63.3° | 56.6° |
| HA | C4 | C3 | O3 | 60.5° | 61.9° |
| HA | C4 | C3 | C2 | 54.7° | 58.1° |
| HA | C4 | C5 | N1 | 56.1° | 67.1° |
| H5 | C5 | C6 | H61C | 26.6° | 3.1° |
| H5 | C5 | C6 | H62C | 146.4° | 125.5° |
| H5 | C5 | C4 | O4 | 60.4° | 54.9° |
| H5 | C5 | C4 | C6 | 117.5° | 118.5° |
| H5 | C5 | C4 | N1 | 123.1° | 117.7° |
| H5 | C5 | C6 | N1 | 123.1° | 119.4° |
| H5 | C5 | C6 | S1 | 93.4° | 115.6° |
| H5 | C5 | C4 | C3 | 59.1° | 64.9° |
| H5 | C5 | N1 | C1 | 77.8° | 66.7° |
| H5 | C5 | N1 | C7 | 88.6° | 113.8° |
| H3 | C3 | O3 | HB | 156.3° | 60.2° |
| H3 | C3 | C2 | H2 | 167.9° | 177.2° |
| H3 | C3 | C4 | O4 | 61.4° | 61.5° |
| H3 | C3 | C4 | C5 | 54.6° | 58.4° |
| H3 | C3 | C4 | O3 | 121.6° | 119.8° |
| H3 | C3 | C4 | C2 | 123.2° | 120.2° |
| H3 | C3 | O3 | C2 | 123.0° | 119.8° |
| H3 | C3 | C2 | O2 | 45.8° | 62.8° |
| H3 | C3 | C2 | C1 | 74.2° | 57.2° |
| H61C | C6 | H62C | C5 | 120.1° | 122.5° |
| H61C | C6 | H62C | S1 | 120.1° | 122.5° |
| H61C | C6 | C5 | C4 | 90.6° | 115.4° |
| H61C | C6 | C5 | S1 | 120.0° | 118.8° |
| H61C | C6 | C5 | N1 | 149.7° | 122.6° |
| H61C | C6 | S1 | C7 | 137.7° | 120.1° |
| H62C | C6 | C5 | C4 | 29.3° | 7.1° |
| H62C | C6 | C5 | S1 | 120.2° | 118.8° |
| H62C | C6 | C5 | N1 | 90.5° | 115.0° |
| H62C | C6 | S1 | C7 | 102.5° | 117.5° |
| HB | O3 | C3 | C4 | 85.2° | 180.0° |
| HB | O3 | C3 | C2 | 33.3° | 59.6° |
| H2 | C2 | O2 | HC | 110.6° | 60.0° |
| H2 | C2 | C1 | H155 | 145.5° | 173.8° |
| H2 | C2 | C3 | C4 | 73.8° | 57.1° |
| H2 | C2 | C3 | O3 | 46.5° | 63.0° |
| H2 | C2 | C3 | O2 | 122.1° | 119.9° |
| H2 | C2 | C3 | C1 | 117.9° | 120.1° |
| H2 | C2 | O2 | C1 | 118.2° | 119.9° |
| H2 | C2 | C1 | O1 | 25.1° | 52.8° |
| H2 | C2 | C1 | N1 | 99.8° | 66.7° |
| HC | O2 | C2 | C3 | 131.9° | 180.0° |
| HC | O2 | C2 | C1 | 7.5° | 59.8° |
| H81C | C8 | H82C | N2 | 119.7° | 120.0° |
| H81C | C8 | H82C | C9 | 119.7° | 120.0° |
| H81C | C8 | C9 | H91C | 167.5° | 180.0° |
| H81C | C8 | C9 | H92C | 71.4° | 60.0° |
| H81C | C8 | N2 | C7 | 113.6° | 125.0° |
| H81C | C8 | N2 | C9 | 120.0° | 120.0° |
| H81C | C8 | C9 | C10 | 47.5° | 60.0° |
| H82C | C8 | C9 | H91C | 47.0° | 60.1° |
| H82C | C8 | C9 | H92C | 168.2° | 180.0° |
| H82C | C8 | N2 | C7 | 6.8° | 5.0° |
| H82C | C8 | N2 | C9 | 119.6° | 120.0° |
| H82C | C8 | C9 | C10 | 73.0° | 60.0° |
| H91C | C9 | H92C | C8 | 119.3° | 120.0° |
| H91C | C9 | H92C | C10 | 119.2° | 120.0° |
| H91C | C9 | C10 | H101 | 60.5° | 179.9° |
| H91C | C9 | C10 | H102 | 179.6° | 60.1° |
| H91C | C9 | C8 | N2 | 72.5° | 59.9° |
| H91C | C9 | C8 | C10 | 120.0° | 120.0° |
| H92C | C9 | C10 | H101 | 178.4° | 60.0° |
| H92C | C9 | C10 | H102 | 59.2° | 180.0° |
| H92C | C9 | C8 | N2 | 48.6° | 60.0° |
| H92C | C9 | C8 | C10 | 118.9° | 120.0° |
| H101 | C10 | H102 | C9 | 120.6° | 120.0° |
| H101 | C10 | C11 | H111 | 58.4° | 180.0° |
| H101 | C10 | C11 | H112 | 178.7° | 60.0° |
| H101 | C10 | C9 | C8 | 59.5° | 60.0° |
| H102 | C10 | C11 | H111 | 177.6° | 60.0° |
| H102 | C10 | C11 | H112 | 62.1° | 180.0° |
| H102 | C10 | C9 | C8 | 59.6° | 60.0° |
| H111 | C11 | C12 | H121 | 155.8° | 180.0° |
| H111 | C11 | C12 | H122 | 35.7° | 60.0° |
| H111 | C11 | C10 | C9 | 61.6° | 60.0° |
| H112 | C11 | C12 | H121 | 83.9° | 60.0° |
| H112 | C11 | C12 | H122 | 156.0° | 180.0° |
| H112 | C11 | C10 | C9 | 58.7° | 60.0° |
| H121 | C12 | C13 | H131 | 140.9° | 180.0° |
| H121 | C12 | C13 | H132 | 21.0° | 60.0° |
| H122 | C12 | C13 | H131 | 99.0° | 60.1° |
| H122 | C12 | C13 | H132 | 141.1° | 180.0° |
| H131 | C13 | C14 | H141 | 161.0° | 180.0° |
| H131 | C13 | C14 | H142 | 79.2° | 60.0° |
| H132 | C13 | C14 | H141 | 41.2° | 60.1° |
| H132 | C13 | C14 | H142 | 161.0° | 180.0° |
| H141 | C14 | C15 | H151 | 26.1° | NaN° |
| H141 | C14 | C15 | H152 | 146.1° | 60.1° |
| H141 | C14 | C15 | H153 | 93.9° | 60.0° |
| H142 | C14 | C15 | H151 | 93.8° | 60.1° |
| H142 | C14 | C15 | H152 | 26.2° | 180.0° |
| H142 | C14 | C15 | H153 | 146.3° | 59.9° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H154 | O1 | C1 | H155 | 65.3° | 60.9° |
| H154 | O1 | C1 | C2 | 177.8° | 60.0° |
| H154 | O1 | C1 | N1 | 49.9° | 178.1° |
| H155 | C1 | C2 | C3 | 97.1° | 66.2° |
| H155 | C1 | C2 | O2 | 23.4° | 53.9° |
| H155 | C1 | C2 | O1 | 120.4° | 120.9° |
| H155 | C1 | C2 | N1 | 114.7° | 119.6° |
| H155 | C1 | O1 | N1 | 115.2° | 121.0° |
| H155 | C1 | N1 | C5 | 99.8° | 68.7° |
| H155 | C1 | N1 | C7 | 64.8° | 111.9° |
| O4 | C4 | C5 | C3 | 119.5° | 119.9° |
| O4 | C4 | C5 | C6 | 57.1° | 63.6° |
| O4 | C4 | C3 | O3 | 60.2° | 58.3° |
| O4 | C4 | C3 | C2 | 175.4° | 178.3° |
| O4 | C4 | C5 | N1 | 176.5° | 172.7° |
| C4 | C5 | C6 | N1 | 119.8° | 122.1° |
| C4 | C5 | C6 | S1 | 149.4° | 125.9° |
| C5 | C4 | C3 | O3 | 176.2° | 178.1° |
| C5 | C4 | C3 | C2 | 68.6° | 61.8° |
| C4 | C5 | N1 | C1 | 39.6° | 51.0° |
| C4 | C5 | N1 | C7 | 154.1° | 128.5° |
| C6 | C5 | C4 | C3 | 176.6° | 176.6° |
| C6 | C5 | N1 | C1 | 164.4° | 173.8° |
| C5 | C6 | S1 | C7 | 17.7° | 1.3° |
| C6 | C5 | N1 | C7 | 29.2° | 5.6° |
| S1 | C6 | C5 | N1 | 29.7° | 3.8° |
| C6 | S1 | C7 | N1 | 1.0° | 1.6° |
| C6 | S1 | C7 | N2 | 146.8° | 178.8° |
| C4 | C3 | O3 | C2 | 118.5° | 120.4° |
| C4 | C3 | C2 | O2 | 164.1° | 177.0° |
| C4 | C3 | C2 | C1 | 44.1° | 63.0° |
| C3 | C4 | C5 | N1 | 64.0° | 52.8° |
| O3 | C3 | C2 | O2 | 75.6° | 57.0° |
| O3 | C3 | C2 | C1 | 164.5° | 177.0° |
| C3 | C2 | O2 | C1 | 124.3° | 120.2° |
| C3 | C2 | C1 | O1 | 142.4° | 172.9° |
| C3 | C2 | C1 | N1 | 17.5° | 53.4° |
| O2 | C2 | C1 | O1 | 97.0° | 67.1° |
| O2 | C2 | C1 | N1 | 138.1° | 173.4° |
| C2 | C1 | O1 | N1 | 127.9° | 118.1° |
| C2 | C1 | N1 | C5 | 16.3° | 50.9° |
| C2 | C1 | N1 | C7 | 179.2° | 128.5° |
| O1 | C1 | N1 | C5 | 140.0° | 170.4° |
| O1 | C1 | N1 | C7 | 55.4° | 9.0° |
| C5 | N1 | C1 | C7 | 164.6° | 179.4° |
| C5 | N1 | C7 | S1 | 17.0° | 4.4° |
| C5 | N1 | C7 | N2 | 165.1° | 176.0° |
| C1 | N1 | C7 | S1 | 176.7° | 175.0° |
| C1 | N1 | C7 | N2 | 28.6° | 4.6° |
| S1 | C7 | N1 | N2 | 148.1° | 179.6° |
| S1 | C7 | N2 | C8 | 27.9° | 0.0° |
| N1 | C7 | N2 | C8 | 173.8° | 179.5° |
| C7 | N2 | C8 | C9 | 126.4° | 115.0° |
| N2 | C8 | C9 | C10 | 167.5° | 180.0° |
