MF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N1 | sing | 1.47Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | O4 | sing | 1.43Å | 1.46Å | |
| C3 | C8 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O4 | C5 | sing | 1.43Å | 1.45Å | |
| C7 | C5 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C9 | N1 | sing | 1.47Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | N17 | sing | 1.46Å | 1.47Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| N1 | C6 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N17 | C18 | sing | 1.35Å | 1.42Å | |
| N17 | HNH | sing | 0.97Å | 1.02Å | |
| C18 | O19 | doub | 1.21Å | 1.22Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | N1 | 109.3° | 109.5° |
| C3 | C2 | H21 | 112.3° | 109.4° |
| C3 | C2 | H22 | 112.3° | 109.5° |
| C2 | C3 | O4 | 108.8° | 109.7° |
| C2 | C3 | C8 | 111.1° | 109.4° |
| C2 | C3 | H3 | 108.7° | 109.4° |
| N1 | C2 | H21 | 112.2° | 109.4° |
| N1 | C2 | H22 | 112.2° | 109.5° |
| C2 | N1 | C9 | 110.0° | 106.7° |
| C2 | N1 | C6 | 109.4° | 106.7° |
| H21 | C2 | H22 | 98.2° | 109.4° |
| O4 | C3 | C8 | 109.0° | 109.4° |
| O4 | C3 | H3 | 110.8° | 109.5° |
| C3 | O4 | C5 | 112.3° | 107.2° |
| C8 | C3 | H3 | 108.4° | 109.4° |
| C3 | C8 | H81 | 111.1° | 109.5° |
| C3 | C8 | H82 | 111.6° | 109.5° |
| C3 | C8 | H83 | 111.5° | 109.5° |
| O4 | C5 | C7 | 108.4° | 109.4° |
| O4 | C5 | C6 | 109.2° | 109.7° |
| O4 | C5 | H5 | 111.3° | 109.4° |
| C5 | C7 | H71 | 108.4° | 109.5° |
| C5 | C7 | H72 | 112.6° | 109.5° |
| C5 | C7 | H73 | 112.6° | 109.4° |
| C7 | C5 | C6 | 112.0° | 109.4° |
| C7 | C5 | H5 | 108.4° | 109.4° |
| H71 | C7 | H72 | 112.5° | 109.5° |
| H71 | C7 | H73 | 112.6° | 109.5° |
| H72 | C7 | H73 | 97.9° | 109.5° |
| H81 | C8 | H82 | 111.6° | 109.5° |
| H81 | C8 | H83 | 111.7° | 109.4° |
| H82 | C8 | H83 | 98.8° | 109.4° |
| C10 | C9 | N1 | 114.1° | 109.6° |
| C10 | C9 | H91 | 110.5° | 109.4° |
| C10 | C9 | H92 | 110.5° | 109.5° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C9 | C10 | H101 | 111.0° | 109.4° |
| C9 | C10 | H102 | 111.0° | 109.5° |
| N1 | C9 | H91 | 110.5° | 109.4° |
| N1 | C9 | H92 | 110.5° | 109.5° |
| C9 | N1 | C6 | 113.7° | 106.8° |
| H91 | C9 | H92 | 99.8° | 109.4° |
| C11 | C10 | H101 | 111.0° | 109.5° |
| C11 | C10 | H102 | 111.0° | 109.5° |
| C10 | C11 | C12 | 112.6° | 109.5° |
| C10 | C11 | H111 | 111.0° | 109.5° |
| C10 | C11 | H112 | 111.1° | 109.5° |
| H101 | C10 | H102 | 99.3° | 109.5° |
| C12 | C11 | H111 | 111.1° | 109.4° |
| C12 | C11 | H112 | 111.1° | 109.5° |
| C11 | C12 | C13 | 112.4° | 109.5° |
| C11 | C12 | H121 | 111.1° | 109.4° |
| C11 | C12 | H122 | 111.1° | 109.5° |
| H111 | C11 | H112 | 99.3° | 109.4° |
| C13 | C12 | H121 | 111.1° | 109.5° |
| C13 | C12 | H122 | 111.1° | 109.5° |
| C12 | C13 | C14 | 112.9° | 109.5° |
| C12 | C13 | H131 | 110.9° | 109.5° |
| C12 | C13 | H132 | 110.9° | 109.5° |
| H121 | C12 | H122 | 99.3° | 109.5° |
| C14 | C13 | H131 | 110.9° | 109.5° |
| C14 | C13 | H132 | 110.9° | 109.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | H141 | 111.3° | 109.5° |
| C13 | C14 | H142 | 111.3° | 109.5° |
| H131 | C13 | H132 | 99.5° | 109.4° |
| C15 | C14 | H141 | 111.2° | 109.4° |
| C15 | C14 | H142 | 111.2° | 109.5° |
| C14 | C15 | C16 | 111.6° | 109.5° |
| C14 | C15 | H151 | 111.5° | 109.4° |
| C14 | C15 | H152 | 111.5° | 109.5° |
| H141 | C14 | H142 | 99.1° | 109.4° |
| C16 | C15 | H151 | 111.4° | 109.4° |
| C16 | C15 | H152 | 111.4° | 109.5° |
| C15 | C16 | N17 | 111.7° | 109.5° |
| C15 | C16 | H161 | 111.4° | 109.4° |
| C15 | C16 | H162 | 111.4° | 109.5° |
| H151 | C15 | H152 | 99.0° | 109.5° |
| N17 | C16 | H161 | 111.4° | 109.5° |
| N17 | C16 | H162 | 111.4° | 109.5° |
| C16 | N17 | C18 | 120.9° | 120.1° |
| C16 | N17 | HNH | 121.1° | 120.0° |
| H161 | C16 | H162 | 98.9° | 109.5° |
| N1 | C6 | C5 | 108.7° | 109.6° |
| N1 | C6 | H61 | 112.5° | 109.4° |
| N1 | C6 | H62 | 112.5° | 109.5° |
| C6 | C5 | H5 | 107.6° | 109.4° |
| C5 | C6 | H61 | 112.5° | 109.5° |
| C5 | C6 | H62 | 112.5° | 109.6° |
| H61 | C6 | H62 | 97.9° | 109.4° |
| C18 | N17 | HNH | 118.0° | 120.0° |
| N17 | C18 | O19 | 120.5° | 120.0° |
| N17 | C18 | H18 | 127.5° | 120.0° |
| O19 | C18 | H18 | 112.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | N1 | H21 | 125.3° | 119.9° |
| C3 | C2 | N1 | H22 | 125.3° | 120.1° |
| C3 | C2 | H21 | H22 | 118.2° | 120.0° |
| C2 | C3 | O4 | C8 | 121.4° | 120.1° |
| C2 | C3 | O4 | H3 | 119.4° | 120.0° |
| C2 | C3 | C8 | H3 | 119.4° | 119.8° |
| C2 | C3 | O4 | C5 | 59.9° | 63.2° |
| C2 | C3 | C8 | H81 | 180.0° | 180.0° |
| C2 | C3 | C8 | H82 | 54.7° | 60.1° |
| C2 | C3 | C8 | H83 | 54.7° | 59.9° |
| C3 | C2 | N1 | C9 | 174.2° | 173.1° |
| C3 | C2 | N1 | C6 | 60.2° | 59.2° |
| N1 | C2 | H21 | H22 | 118.2° | 120.0° |
| N1 | C2 | C3 | O4 | 58.7° | 62.8° |
| N1 | C2 | C3 | C8 | 178.8° | 177.1° |
| N1 | C2 | C3 | H3 | 62.0° | 57.3° |
| C2 | N1 | C9 | C10 | 91.3° | 66.1° |
| C2 | N1 | C9 | C6 | 123.0° | 113.9° |
| C2 | N1 | C9 | H91 | 143.4° | 53.8° |
| C2 | N1 | C9 | H92 | 33.9° | 173.7° |
| C2 | N1 | C6 | C5 | 59.9° | 59.2° |
| C2 | N1 | C6 | H61 | 174.9° | 60.8° |
| C2 | N1 | C6 | H62 | 65.4° | 179.4° |
| H21 | C2 | C3 | O4 | 176.0° | 57.1° |
| H21 | C2 | C3 | C8 | 56.0° | 63.0° |
| H21 | C2 | C3 | H3 | 63.3° | 177.2° |
| H21 | C2 | N1 | C9 | 49.0° | 53.1° |
| H21 | C2 | N1 | C6 | 174.5° | 60.8° |
| H22 | C2 | C3 | O4 | 66.5° | 177.1° |
| H22 | C2 | C3 | C8 | 53.6° | 57.0° |
| H22 | C2 | C3 | H3 | 172.8° | 62.8° |
| H22 | C2 | N1 | C9 | 60.5° | 66.8° |
| H22 | C2 | N1 | C6 | 65.0° | 179.3° |
| O4 | C3 | C8 | H3 | 120.7° | 119.9° |
| C3 | O4 | C5 | C7 | 177.5° | 176.7° |
| O4 | C3 | C8 | H81 | 60.1° | 59.8° |
| O4 | C3 | C8 | H82 | 65.2° | 60.2° |
| O4 | C3 | C8 | H83 | 174.6° | 179.8° |
| C3 | O4 | C5 | C6 | 60.2° | 63.2° |
| C3 | O4 | C5 | H5 | 58.4° | 56.8° |
| C8 | C3 | O4 | C5 | 178.8° | 176.7° |
| C3 | C8 | H81 | H82 | 125.2° | 120.0° |
| C3 | C8 | H81 | H83 | 125.2° | 120.1° |
| C3 | C8 | H82 | H83 | 117.4° | 120.0° |
| H3 | C3 | O4 | C5 | 59.5° | 56.9° |
| H3 | C3 | C8 | H81 | 60.7° | 60.1° |
| H3 | C3 | C8 | H82 | 174.1° | 179.9° |
| H3 | C3 | C8 | H83 | 64.6° | 59.9° |
| O4 | C5 | C7 | C6 | 120.5° | 120.2° |
| O4 | C5 | C7 | H5 | 120.9° | 119.9° |
| O4 | C5 | C7 | H71 | 180.0° | 59.9° |
| O4 | C5 | C7 | H72 | 54.8° | 179.9° |
| O4 | C5 | C7 | H73 | 54.8° | 60.1° |
| O4 | C5 | C6 | N1 | 59.1° | 62.8° |
| O4 | C5 | C6 | H5 | 120.9° | 120.1° |
| O4 | C5 | C6 | H61 | 175.6° | 57.1° |
| O4 | C5 | C6 | H62 | 66.2° | 177.0° |
| C5 | C7 | H71 | H72 | 125.2° | 120.0° |
| C5 | C7 | H71 | H73 | 125.3° | 119.9° |
| C5 | C7 | H72 | H73 | 118.6° | 119.9° |
| C7 | C5 | C6 | N1 | 179.2° | 177.1° |
| C7 | C5 | C6 | H5 | 119.1° | 119.9° |
| C7 | C5 | C6 | H61 | 55.6° | 63.0° |
| C7 | C5 | C6 | H62 | 53.9° | 56.9° |
| H71 | C7 | H72 | H73 | 118.6° | 120.0° |
| H71 | C7 | C5 | C6 | 59.4° | 179.9° |
| H71 | C7 | C5 | H5 | 59.1° | 60.0° |
| H72 | C7 | C5 | C6 | 65.7° | 59.8° |
| H72 | C7 | C5 | H5 | 175.7° | 60.0° |
| H73 | C7 | C5 | C6 | 175.3° | 60.1° |
| H73 | C7 | C5 | H5 | 66.1° | 180.0° |
| H81 | C8 | H82 | H83 | 117.6° | 119.9° |
| C10 | C9 | N1 | H91 | 125.2° | 119.9° |
| C10 | C9 | N1 | H92 | 125.2° | 120.1° |
| C10 | C9 | H91 | H92 | 116.4° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 119.9° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.9° | 120.0° |
| C9 | C10 | C11 | C12 | 133.2° | 180.0° |
| C9 | C10 | C11 | H111 | 101.5° | 60.1° |
| C9 | C10 | C11 | H112 | 7.9° | 59.9° |
| C10 | C9 | N1 | C6 | 145.6° | 180.0° |
| N1 | C9 | H91 | H92 | 116.4° | 120.0° |
| N1 | C9 | C10 | C11 | 94.4° | 180.0° |
| N1 | C9 | C10 | H101 | 140.3° | 60.0° |
| N1 | C9 | C10 | H102 | 30.9° | 59.9° |
| C9 | N1 | C6 | C5 | 176.8° | 173.1° |
| C9 | N1 | C6 | H61 | 51.6° | 53.1° |
| C9 | N1 | C6 | H62 | 57.9° | 66.8° |
| H91 | C9 | C10 | C11 | 140.4° | 60.0° |
| H91 | C9 | C10 | H101 | 15.1° | 180.0° |
| H91 | C9 | C10 | H102 | 94.3° | 60.0° |
| H91 | C9 | N1 | C6 | 20.4° | 60.1° |
| H92 | C9 | C10 | C11 | 30.9° | 59.9° |
| H92 | C9 | C10 | H101 | 94.4° | 60.1° |
| H92 | C9 | C10 | H102 | 156.1° | 179.9° |
| H92 | C9 | N1 | C6 | 89.1° | 59.8° |
| C11 | C10 | H101 | H102 | 116.9° | 120.0° |
| C10 | C11 | C12 | H111 | 125.2° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 116.9° | 120.0° |
| C10 | C11 | C12 | C13 | 108.2° | 180.0° |
| C10 | C11 | C12 | H121 | 126.5° | 60.0° |
| C10 | C11 | C12 | H122 | 17.0° | 59.9° |
| H101 | C10 | C11 | C12 | 7.9° | 60.1° |
| H101 | C10 | C11 | H111 | 133.2° | 180.0° |
| H101 | C10 | C11 | H112 | 117.4° | 60.1° |
| H102 | C10 | C11 | C12 | 101.5° | 60.0° |
| H102 | C10 | C11 | H111 | 23.7° | 60.0° |
| H102 | C10 | C11 | H112 | 133.2° | 179.9° |
| C12 | C11 | H111 | H112 | 117.0° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 117.0° | 120.0° |
| C11 | C12 | C13 | C14 | 74.7° | 180.0° |
| C11 | C12 | C13 | H131 | 50.5° | 60.0° |
| C11 | C12 | C13 | H132 | 160.1° | 59.9° |
| H111 | C11 | C12 | C13 | 17.0° | 60.0° |
| H111 | C11 | C12 | H121 | 108.2° | 180.0° |
| H111 | C11 | C12 | H122 | 142.3° | 60.0° |
| H112 | C11 | C12 | C13 | 126.5° | 59.9° |
| H112 | C11 | C12 | H121 | 1.2° | 60.1° |
| H112 | C11 | C12 | H122 | 108.3° | 179.9° |
| C13 | C12 | H121 | H122 | 117.0° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 116.9° | 120.0° |
| C12 | C13 | C14 | C15 | 127.1° | 180.0° |
| C12 | C13 | C14 | H141 | 1.8° | 60.0° |
| C12 | C13 | C14 | H142 | 107.7° | 60.0° |
| H121 | C12 | C13 | C14 | 160.0° | 60.0° |
| H121 | C12 | C13 | H131 | 74.8° | 180.0° |
| H121 | C12 | C13 | H132 | 34.8° | 60.0° |
| H122 | C12 | C13 | C14 | 50.5° | 60.0° |
| H122 | C12 | C13 | H131 | 175.7° | 60.0° |
| H122 | C12 | C13 | H132 | 74.7° | 180.0° |
| C14 | C13 | H131 | H132 | 116.8° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.1° |
| C13 | C14 | H141 | H142 | 117.2° | 120.0° |
| C13 | C14 | C15 | C16 | 131.9° | 180.0° |
| C13 | C14 | C15 | H151 | 102.9° | 60.0° |
| C13 | C14 | C15 | H152 | 6.6° | 60.0° |
| H131 | C13 | C14 | C15 | 107.7° | 60.0° |
| H131 | C13 | C14 | H141 | 127.0° | 180.0° |
| H131 | C13 | C14 | H142 | 17.5° | 60.1° |
| H132 | C13 | C14 | C15 | 1.8° | 60.0° |
| H132 | C13 | C14 | H141 | 123.4° | 60.0° |
| H132 | C13 | C14 | H142 | 127.1° | 180.0° |
| C15 | C14 | H141 | H142 | 117.0° | 119.9° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 117.4° | 120.0° |
| C14 | C15 | C16 | N17 | 150.1° | 180.0° |
| C14 | C15 | C16 | H161 | 24.8° | 60.0° |
| C14 | C15 | C16 | H162 | 84.7° | 60.0° |
| H141 | C14 | C15 | C16 | 6.6° | 60.0° |
| H141 | C14 | C15 | H151 | 131.8° | 180.0° |
| H141 | C14 | C15 | H152 | 118.7° | 60.1° |
| H142 | C14 | C15 | C16 | 102.8° | 59.9° |
| H142 | C14 | C15 | H151 | 22.4° | 60.1° |
| H142 | C14 | C15 | H152 | 131.9° | 179.9° |
| C16 | C15 | H151 | H152 | 117.3° | 120.0° |
| C15 | C16 | N17 | H161 | 125.3° | 120.0° |
| C15 | C16 | N17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 117.3° | 120.0° |
| C15 | C16 | N17 | C18 | 112.1° | 179.9° |
| C15 | C16 | N17 | HNH | 67.9° | 0.0° |
| H151 | C15 | C16 | N17 | 84.7° | 60.0° |
| H151 | C15 | C16 | H161 | 150.0° | NaN° |
| H151 | C15 | C16 | H162 | 40.6° | 60.0° |
| H152 | C15 | C16 | N17 | 24.8° | 60.0° |
| H152 | C15 | C16 | H161 | 100.5° | 60.0° |
| H152 | C15 | C16 | H162 | 150.0° | NaN° |
| N17 | C16 | H161 | H162 | 117.3° | 120.0° |
| C16 | N17 | C18 | HNH | 180.0° | 180.0° |
| C16 | N17 | C18 | O19 | 9.6° | 0.1° |
| C16 | N17 | C18 | H18 | 170.4° | 180.0° |
| H161 | C16 | N17 | C18 | 122.6° | 59.9° |
| H161 | C16 | N17 | HNH | 57.4° | 120.0° |
| H162 | C16 | N17 | C18 | 13.1° | 60.0° |
| H162 | C16 | N17 | HNH | 166.9° | 120.0° |
| N1 | C6 | C5 | H61 | 125.2° | 119.9° |
| N1 | C6 | C5 | H62 | 125.3° | 120.1° |
| N1 | C6 | C5 | H5 | 61.8° | 57.2° |
| N1 | C6 | H61 | H62 | 118.5° | 119.9° |
| C5 | C6 | H61 | H62 | 118.4° | 120.0° |
| H5 | C5 | C6 | H61 | 63.5° | 177.2° |
| H5 | C5 | C6 | H62 | 172.9° | 62.9° |
| N17 | C18 | O19 | H18 | 180.0° | 179.8° |
| HNH | N17 | C18 | O19 | 170.3° | 179.9° |
| HNH | N17 | C18 | H18 | 9.6° | 0.1° |
