MI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C10 | sing | 1.40Å | 1.38Å | |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N2 | C12 | sing | 1.46Å | 1.47Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| O2 | C11 | doub | 1.21Å | 1.27Å | |
| C1 | C9 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | F2 | sing | 1.40Å | 1.35Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N1 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C10 | F2 | 98.5° | 109.5° |
| F1 | C10 | C9 | 111.1° | 109.5° |
| F1 | C10 | C11 | 106.1° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| N1 | C1 | C9 | 116.2° | 109.5° |
| N1 | C1 | C2 | 110.4° | 109.4° |
| N1 | C1 | H3 | 103.8° | 109.4° |
| C1 | N1 | H22 | 109.5° | 111.1° |
| H1 | N1 | H22 | 109.4° | 111.0° |
| C12 | N2 | H21 | 120.0° | 120.0° |
| C12 | N2 | C11 | 120.0° | 120.0° |
| N2 | C12 | H18 | 109.5° | 109.5° |
| N2 | C12 | H19 | 109.5° | 109.5° |
| N2 | C12 | H20 | 109.5° | 109.5° |
| H21 | N2 | C11 | 120.0° | 120.0° |
| C9 | O1 | H2 | 109.5° | 114.0° |
| O1 | C9 | C1 | 113.1° | 109.5° |
| O1 | C9 | H17 | 111.3° | 109.5° |
| O1 | C9 | C10 | 107.8° | 109.4° |
| O2 | C11 | C10 | 110.5° | 120.0° |
| O2 | C11 | N2 | 116.7° | 120.0° |
| C9 | C1 | C2 | 109.2° | 109.5° |
| C9 | C1 | H3 | 105.3° | 109.5° |
| C1 | C9 | H17 | 100.5° | 109.5° |
| C1 | C9 | C10 | 117.1° | 109.5° |
| C2 | C1 | H3 | 111.7° | 109.5° |
| C1 | C2 | H4 | 107.1° | 109.5° |
| C1 | C2 | H5 | 107.1° | 109.5° |
| C1 | C2 | C3 | 116.9° | 109.5° |
| H4 | C2 | H5 | 111.8° | 109.5° |
| H4 | C2 | C3 | 107.1° | 109.5° |
| H5 | C2 | C3 | 107.1° | 109.5° |
| C2 | C3 | C4 | 114.4° | 109.5° |
| C2 | C3 | C5 | 111.2° | 109.5° |
| C2 | C3 | H6 | 106.7° | 109.5° |
| C4 | C3 | C5 | 114.6° | 109.5° |
| C4 | C3 | H6 | 102.5° | 109.4° |
| C3 | C4 | H7 | 109.7° | 109.4° |
| C3 | C4 | H8 | 109.7° | 109.5° |
| C3 | C4 | C6 | 108.7° | 109.5° |
| C5 | C3 | H6 | 106.4° | 109.4° |
| C3 | C5 | H9 | 108.5° | 109.4° |
| C3 | C5 | H10 | 108.5° | 109.4° |
| C3 | C5 | C7 | 112.5° | 109.5° |
| H7 | C4 | H8 | 109.2° | 109.5° |
| H7 | C4 | C6 | 109.8° | 109.4° |
| H8 | C4 | C6 | 109.8° | 109.5° |
| H9 | C5 | H10 | 110.4° | 109.4° |
| H9 | C5 | C7 | 108.5° | 109.5° |
| H10 | C5 | C7 | 108.5° | 109.5° |
| C4 | C6 | C8 | 109.5° | 109.5° |
| C4 | C6 | H11 | 109.5° | 109.5° |
| C4 | C6 | H12 | 109.4° | 109.4° |
| C8 | C6 | H11 | 109.5° | 109.5° |
| C8 | C6 | H12 | 109.5° | 109.4° |
| C6 | C8 | C7 | 111.8° | 109.5° |
| C6 | C8 | H15 | 108.7° | 109.4° |
| C6 | C8 | H16 | 108.7° | 109.4° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| C5 | C7 | C8 | 110.0° | 109.5° |
| C5 | C7 | H13 | 109.3° | 109.4° |
| C5 | C7 | H14 | 109.3° | 109.4° |
| C8 | C7 | H13 | 109.3° | 109.5° |
| C8 | C7 | H14 | 109.3° | 109.5° |
| C7 | C8 | H15 | 108.7° | 109.5° |
| C7 | C8 | H16 | 108.7° | 109.5° |
| H13 | C7 | H14 | 109.7° | 109.5° |
| H15 | C8 | H16 | 110.2° | 109.4° |
| H17 | C9 | C10 | 106.7° | 109.5° |
| F2 | C10 | C9 | 116.8° | 109.5° |
| F2 | C10 | C11 | 105.2° | 109.5° |
| C9 | C10 | C11 | 117.1° | 109.5° |
| C10 | C11 | N2 | 114.1° | 120.0° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C10 | C9 | O1 | 73.7° | 65.0° |
| F1 | C10 | C11 | O2 | 13.1° | 145.0° |
| F1 | C10 | C9 | C1 | 55.2° | 55.0° |
| F1 | C10 | C9 | H17 | 166.8° | 175.0° |
| F1 | C10 | F2 | C9 | 118.9° | 120.0° |
| F1 | C10 | F2 | C11 | 109.3° | 120.0° |
| F1 | C10 | C9 | C11 | 122.1° | 120.0° |
| F1 | C10 | C11 | N2 | 120.9° | 35.0° |
| C1 | N1 | H1 | H22 | 120.0° | 124.0° |
| N1 | C1 | C9 | O1 | 51.4° | 60.0° |
| N1 | C1 | C9 | C2 | 125.7° | 120.0° |
| N1 | C1 | C9 | H3 | 114.3° | 120.0° |
| N1 | C1 | C2 | H3 | 115.0° | 119.9° |
| N1 | C1 | C2 | H4 | 66.1° | 54.7° |
| N1 | C1 | C2 | H5 | 173.9° | 174.7° |
| N1 | C1 | C2 | C3 | 53.9° | 65.3° |
| N1 | C1 | C9 | H17 | 170.1° | 180.0° |
| N1 | C1 | C9 | C10 | 74.9° | 60.0° |
| H1 | N1 | C1 | C9 | 180.0° | 66.4° |
| H1 | N1 | C1 | C2 | 54.9° | 53.7° |
| H1 | N1 | C1 | H3 | 64.9° | 173.6° |
| C12 | N2 | H21 | C11 | 180.0° | 179.9° |
| C12 | N2 | C11 | O2 | 69.2° | 0.1° |
| C12 | N2 | C11 | C10 | 159.9° | 179.9° |
| N2 | C12 | H18 | H19 | 120.0° | 120.0° |
| N2 | C12 | H18 | H20 | 120.0° | 120.1° |
| N2 | C12 | H19 | H20 | 120.0° | 120.0° |
| H21 | N2 | C11 | O2 | 110.8° | 179.9° |
| H21 | N2 | C11 | C10 | 20.1° | 0.1° |
| H21 | N2 | C12 | H18 | 0.0° | 0.1° |
| H21 | N2 | C12 | H19 | 120.0° | 120.1° |
| H21 | N2 | C12 | H20 | 120.0° | 120.0° |
| O1 | C9 | C1 | H17 | 118.7° | 120.0° |
| O1 | C9 | C1 | C10 | 126.3° | 120.0° |
| O1 | C9 | C1 | C2 | 74.3° | 60.0° |
| O1 | C9 | C1 | H3 | 165.7° | 180.0° |
| O1 | C9 | H17 | C10 | 117.3° | 120.0° |
| O1 | C9 | C10 | F2 | 38.2° | 175.0° |
| O1 | C9 | C10 | C11 | 164.3° | 55.0° |
| H2 | O1 | C9 | C1 | 180.0° | 60.0° |
| H2 | O1 | C9 | H17 | 67.8° | 180.0° |
| H2 | O1 | C9 | C10 | 48.8° | 60.0° |
| O2 | C11 | C10 | F2 | 116.8° | 95.0° |
| O2 | C11 | C10 | C9 | 111.6° | 25.0° |
| O2 | C11 | C10 | N2 | 133.9° | 180.0° |
| C9 | C1 | C2 | H3 | 116.0° | 120.0° |
| C9 | C1 | C2 | H4 | 62.9° | 65.3° |
| C9 | C1 | C2 | H5 | 57.1° | 54.7° |
| C9 | C1 | C2 | C3 | 177.1° | 174.7° |
| C1 | C9 | H17 | C10 | 122.6° | 120.0° |
| C1 | C9 | C10 | F2 | 167.1° | 65.0° |
| C1 | C9 | C10 | C11 | 66.8° | 175.0° |
| C9 | C1 | N1 | H22 | 60.0° | 169.7° |
| C1 | C2 | H4 | H5 | 116.9° | 120.0° |
| C1 | C2 | H4 | C3 | 126.1° | 120.0° |
| C1 | C2 | H5 | C3 | 126.1° | 120.0° |
| C1 | C2 | C3 | C4 | 60.3° | 65.8° |
| C1 | C2 | C3 | C5 | 167.9° | 174.2° |
| C1 | C2 | C3 | H6 | 52.3° | 54.2° |
| C2 | C1 | C9 | H17 | 44.4° | 60.0° |
| C2 | C1 | C9 | C10 | 159.4° | NaN° |
| C2 | C1 | N1 | H22 | 174.9° | 70.3° |
| H3 | C1 | C2 | H4 | 178.9° | 174.6° |
| H3 | C1 | C2 | H5 | 58.9° | 65.4° |
| H3 | C1 | C2 | C3 | 61.1° | 54.6° |
| H3 | C1 | C9 | H17 | 75.6° | 60.0° |
| H3 | C1 | C9 | C10 | 39.4° | 60.0° |
| H3 | C1 | N1 | H22 | 55.1° | 49.6° |
| H4 | C2 | H5 | C3 | 117.0° | 120.0° |
| H4 | C2 | C3 | C4 | 179.7° | 174.2° |
| H4 | C2 | C3 | C5 | 47.9° | 54.2° |
| H4 | C2 | C3 | H6 | 67.7° | 65.8° |
| H5 | C2 | C3 | C4 | 59.7° | 54.2° |
| H5 | C2 | C3 | C5 | 72.1° | 65.8° |
| H5 | C2 | C3 | H6 | 172.3° | 174.2° |
| C2 | C3 | C4 | C5 | 130.1° | 120.1° |
| C2 | C3 | C4 | H6 | 115.1° | 120.0° |
| C2 | C3 | C5 | H6 | 115.8° | 120.0° |
| C2 | C3 | C4 | H7 | 64.3° | 60.0° |
| C2 | C3 | C4 | H8 | 55.7° | 60.0° |
| C2 | C3 | C5 | H9 | 56.9° | 59.9° |
| C2 | C3 | C5 | H10 | 63.0° | 60.0° |
| C2 | C3 | C4 | C6 | 175.7° | 180.0° |
| C2 | C3 | C5 | C7 | 177.0° | NaN° |
| C4 | C3 | C5 | H6 | 112.5° | 119.9° |
| C3 | C4 | H7 | H8 | 120.3° | 120.0° |
| C3 | C4 | H7 | C6 | 119.3° | 120.0° |
| C3 | C4 | H8 | C6 | 119.3° | 120.0° |
| C4 | C3 | C5 | H9 | 171.4° | 180.0° |
| C4 | C3 | C5 | H10 | 68.6° | 60.1° |
| C3 | C4 | C6 | C8 | 57.8° | 59.9° |
| C3 | C4 | C6 | H11 | 177.8° | 180.0° |
| C3 | C4 | C6 | H12 | 62.2° | 60.0° |
| C4 | C3 | C5 | C7 | 51.3° | 59.9° |
| C5 | C3 | C4 | H7 | 65.8° | 60.0° |
| C5 | C3 | C4 | H8 | 174.2° | 179.9° |
| C3 | C5 | H9 | H10 | 118.7° | 119.9° |
| C3 | C5 | H9 | C7 | 122.5° | 120.1° |
| C3 | C5 | H10 | C7 | 122.5° | 120.0° |
| C5 | C3 | C4 | C6 | 54.1° | 59.9° |
| C3 | C5 | C7 | C8 | 50.4° | 60.0° |
| C3 | C5 | C7 | H13 | 69.5° | 60.0° |
| C3 | C5 | C7 | H14 | 170.4° | 180.0° |
| H6 | C3 | C4 | H7 | 179.4° | 179.9° |
| H6 | C3 | C4 | H8 | 59.4° | 60.0° |
| H6 | C3 | C5 | H9 | 58.9° | 60.1° |
| H6 | C3 | C5 | H10 | 178.8° | 180.0° |
| H6 | C3 | C4 | C6 | 60.6° | 60.0° |
| H6 | C3 | C5 | C7 | 61.2° | 60.0° |
| H7 | C4 | H8 | C6 | 120.4° | 120.0° |
| H7 | C4 | C6 | C8 | 62.2° | 60.0° |
| H7 | C4 | C6 | H11 | 57.9° | 60.0° |
| H7 | C4 | C6 | H12 | 177.9° | 179.9° |
| H8 | C4 | C6 | C8 | 177.8° | 180.0° |
| H8 | C4 | C6 | H11 | 62.2° | 60.0° |
| H8 | C4 | C6 | H12 | 57.8° | 60.0° |
| H9 | C5 | H10 | C7 | 118.8° | 120.1° |
| H9 | C5 | C7 | C8 | 170.5° | 180.0° |
| H9 | C5 | C7 | H13 | 50.5° | 60.0° |
| H9 | C5 | C7 | H14 | 69.6° | 60.0° |
| H10 | C5 | C7 | C8 | 69.5° | 60.0° |
| H10 | C5 | C7 | H13 | 170.5° | 180.0° |
| H10 | C5 | C7 | H14 | 50.5° | 60.0° |
| C4 | C6 | C8 | H11 | 120.0° | 120.0° |
| C4 | C6 | C8 | H12 | 120.0° | 119.9° |
| C4 | C6 | H11 | H12 | 120.0° | 120.0° |
| C4 | C6 | C8 | C7 | 61.3° | 60.0° |
| C4 | C6 | C8 | H15 | 58.7° | 60.0° |
| C4 | C6 | C8 | H16 | 178.7° | 180.0° |
| C8 | C6 | H11 | H12 | 120.0° | 120.0° |
| C6 | C8 | C7 | C5 | 56.7° | 60.0° |
| C6 | C8 | C7 | H15 | 120.0° | 119.9° |
| C6 | C8 | C7 | H16 | 120.0° | 120.0° |
| C6 | C8 | C7 | H13 | 63.3° | 60.0° |
| C6 | C8 | C7 | H14 | 176.7° | 180.0° |
| C6 | C8 | H15 | H16 | 119.0° | 119.9° |
| H11 | C6 | C8 | C7 | 178.7° | 180.0° |
| H11 | C6 | C8 | H15 | 61.3° | 60.0° |
| H11 | C6 | C8 | H16 | 58.7° | 59.9° |
| H12 | C6 | C8 | C7 | 58.7° | 60.0° |
| H12 | C6 | C8 | H15 | 178.7° | 180.0° |
| H12 | C6 | C8 | H16 | 61.3° | 60.1° |
| C5 | C7 | C8 | H13 | 120.0° | 120.0° |
| C5 | C7 | C8 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 119.8° | 119.9° |
| C5 | C7 | C8 | H15 | 63.3° | 60.0° |
| C5 | C7 | C8 | H16 | 176.7° | 180.0° |
| C8 | C7 | H13 | H14 | 119.7° | 120.0° |
| C7 | C8 | H15 | H16 | 119.0° | 120.1° |
| H13 | C7 | C8 | H15 | 176.7° | 179.9° |
| H13 | C7 | C8 | H16 | 56.7° | 60.0° |
| H14 | C7 | C8 | H15 | 56.7° | 60.0° |
| H14 | C7 | C8 | H16 | 63.3° | 60.0° |
| H17 | C9 | C10 | F2 | 81.4° | 55.0° |
| H17 | C9 | C10 | C11 | 44.7° | 65.0° |
| F2 | C10 | C9 | C11 | 126.1° | 120.0° |
| F2 | C10 | C11 | N2 | 17.1° | 85.0° |
| C9 | C10 | C11 | N2 | 114.5° | 155.0° |
| C11 | N2 | C12 | H18 | 180.0° | 180.0° |
| C11 | N2 | C12 | H19 | 60.0° | 60.0° |
| C11 | N2 | C12 | H20 | 60.0° | 59.9° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
