IM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.35Å | 1.33Å | |
| C2 | S21 | sing | 1.76Å | 1.77Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | C61 | sing | 1.53Å | 1.53Å | |
| C6 | H61A | sing | 1.09Å | 1.10Å | |
| C5 | N4 | sing | 1.47Å | 1.47Å | |
| C5 | C1 | sing | 1.54Å | 1.55Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.40Å | 1.43Å | |
| C3 | C31 | sing | 1.41Å | 1.48Å | |
| C61 | O62 | sing | 1.43Å | 1.44Å | |
| C61 | C62 | sing | 1.53Å | 1.57Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| O62 | HO6 | sing | 0.97Å | 0.95Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C62 | H623 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| C31 | O31 | doub | 1.22Å | 1.33Å | |
| C31 | O32 | sing | 1.35Å | 1.22Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å | |
| S21 | C22 | sing | 1.81Å | 1.82Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | N24 | sing | 1.47Å | 1.47Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N24 | C25 | sing | 1.37Å | 1.33Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| C25 | N26 | doub | 1.29Å | 1.25Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | O7 | 120.4° | 120.0° |
| C6 | C7 | H71 | 119.8° | 120.0° |
| C7 | C6 | C5 | 106.8° | 109.5° |
| C7 | C6 | C61 | 114.5° | 109.4° |
| C7 | C6 | H61A | 108.2° | 109.5° |
| O7 | C7 | H71 | 119.8° | 120.0° |
| C3 | C2 | S21 | 123.8° | 125.6° |
| C3 | C2 | C1 | 111.5° | 108.8° |
| C2 | C3 | N4 | 110.5° | 112.8° |
| C2 | C3 | C31 | 129.0° | 123.6° |
| S21 | C2 | C1 | 124.6° | 125.6° |
| C2 | S21 | C22 | 98.9° | 100.0° |
| C2 | C1 | C5 | 98.0° | 104.5° |
| C2 | C1 | H11 | 112.3° | 110.4° |
| C2 | C1 | H12 | 112.3° | 110.4° |
| C5 | C6 | C61 | 111.6° | 109.5° |
| C5 | C6 | H61A | 107.6° | 109.5° |
| C6 | C5 | N4 | 101.1° | 110.4° |
| C6 | C5 | C1 | 112.3° | 110.6° |
| C6 | C5 | H51 | 112.0° | 110.3° |
| C61 | C6 | H61A | 108.0° | 109.4° |
| C6 | C61 | O62 | 114.1° | 109.5° |
| C6 | C61 | C62 | 110.8° | 109.5° |
| C6 | C61 | H61 | 107.5° | 109.5° |
| N4 | C5 | C1 | 105.1° | 104.7° |
| N4 | C5 | H51 | 113.4° | 110.4° |
| C5 | N4 | C3 | 104.9° | 109.2° |
| C5 | N4 | H41 | 110.6° | 125.4° |
| C1 | C5 | H51 | 112.2° | 110.3° |
| C5 | C1 | H11 | 112.2° | 110.1° |
| C5 | C1 | H12 | 112.3° | 110.8° |
| N4 | C3 | C31 | 120.4° | 123.6° |
| C3 | N4 | H41 | 110.6° | 125.4° |
| C3 | C31 | O31 | 117.6° | 120.0° |
| C3 | C31 | O32 | 118.9° | 120.0° |
| O62 | C61 | C62 | 108.5° | 109.4° |
| O62 | C61 | H61 | 108.7° | 109.4° |
| C61 | O62 | HO6 | 109.5° | 114.0° |
| C62 | C61 | H61 | 107.0° | 109.5° |
| C61 | C62 | H621 | 109.5° | 109.4° |
| C61 | C62 | H622 | 109.5° | 109.5° |
| C61 | C62 | H623 | 109.5° | 109.4° |
| H621 | C62 | H622 | 109.4° | 109.5° |
| H621 | C62 | H623 | 109.5° | 109.5° |
| H622 | C62 | H623 | 109.5° | 109.5° |
| O31 | C31 | O32 | 123.5° | 120.0° |
| C31 | O32 | H321 | 109.5° | 114.0° |
| S21 | C22 | C23 | 111.8° | 109.5° |
| S21 | C22 | H221 | 108.9° | 109.5° |
| S21 | C22 | H222 | 108.9° | 109.5° |
| C23 | C22 | H221 | 108.9° | 109.5° |
| C23 | C22 | H222 | 108.9° | 109.5° |
| C22 | C23 | N24 | 112.2° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C22 | C23 | H232 | 108.8° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| N24 | C23 | H231 | 108.8° | 109.5° |
| N24 | C23 | H232 | 108.8° | 109.5° |
| C23 | N24 | C25 | 114.9° | 120.0° |
| C23 | N24 | H241 | 122.5° | 119.9° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| C25 | N24 | H241 | 122.5° | 120.0° |
| N24 | C25 | N26 | 125.3° | 120.0° |
| N24 | C25 | H25 | 117.4° | 120.0° |
| N26 | C25 | H25 | 117.4° | 120.0° |
| C25 | N26 | H26 | 112.0° | 120.0° |
| H11 | C1 | H12 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | O7 | H71 | 180.0° | 179.8° |
| C7 | C6 | C5 | C61 | 125.8° | 120.0° |
| C7 | C6 | C5 | H61A | 115.9° | 120.0° |
| C7 | C6 | C61 | H61A | 120.5° | 119.9° |
| C7 | C6 | C5 | N4 | 61.9° | 58.5° |
| C7 | C6 | C5 | C1 | 173.5° | 56.9° |
| C7 | C6 | C5 | H51 | 59.2° | 179.1° |
| C7 | C6 | C61 | O62 | 54.7° | 60.0° |
| C7 | C6 | C61 | C62 | 68.0° | 180.0° |
| C7 | C6 | C61 | H61 | 175.4° | 60.0° |
| O7 | C7 | C6 | C5 | 31.0° | 120.0° |
| O7 | C7 | C6 | C61 | 93.0° | 120.0° |
| O7 | C7 | C6 | H61A | 146.6° | 0.1° |
| H71 | C7 | C6 | C5 | 149.0° | 60.2° |
| H71 | C7 | C6 | C61 | 87.0° | 59.8° |
| H71 | C7 | C6 | H61A | 33.4° | 179.7° |
| C3 | C2 | S21 | C1 | 176.3° | 179.7° |
| C2 | C3 | N4 | C5 | 20.7° | 0.1° |
| C3 | C2 | C1 | C5 | 17.3° | 0.4° |
| C2 | C3 | N4 | C31 | 177.4° | 180.0° |
| C2 | C3 | N4 | H41 | 98.6° | 179.7° |
| C2 | C3 | C31 | O31 | 163.4° | 5.2° |
| C2 | C3 | C31 | O32 | 17.1° | 174.7° |
| C3 | C2 | S21 | C22 | 179.4° | 114.7° |
| C3 | C2 | C1 | H11 | 100.8° | 118.8° |
| C3 | C2 | C1 | H12 | 135.4° | 118.7° |
| S21 | C2 | C1 | C5 | 159.5° | 179.9° |
| S21 | C2 | C3 | N4 | 178.0° | 180.0° |
| S21 | C2 | C3 | C31 | 0.9° | 0.0° |
| C2 | S21 | C22 | C23 | 87.4° | 175.1° |
| C2 | S21 | C22 | H221 | 152.2° | 55.1° |
| C2 | S21 | C22 | H222 | 32.9° | 64.8° |
| S21 | C2 | C1 | H11 | 82.5° | 61.5° |
| S21 | C2 | C1 | H12 | 41.3° | 61.0° |
| C2 | C1 | C5 | C6 | 137.6° | 118.6° |
| C2 | C1 | C5 | N4 | 28.6° | 0.4° |
| C2 | C1 | C5 | H11 | 118.1° | 118.6° |
| C2 | C1 | C5 | H12 | 118.1° | 118.9° |
| C2 | C1 | C5 | H51 | 95.2° | 119.2° |
| C1 | C2 | C3 | N4 | 1.2° | 0.3° |
| C1 | C2 | C3 | C31 | 175.9° | 179.7° |
| C1 | C2 | S21 | C22 | 4.3° | 65.6° |
| C2 | C1 | H11 | H12 | 125.4° | 122.5° |
| C5 | C6 | C61 | H61A | 118.0° | 120.1° |
| C6 | C5 | N4 | C1 | 117.0° | 119.0° |
| C6 | C5 | N4 | H51 | 120.1° | 122.3° |
| C6 | C5 | C1 | H51 | 127.2° | 122.3° |
| C6 | C5 | N4 | C3 | 148.2° | 118.8° |
| C5 | C6 | C61 | O62 | 176.1° | 60.0° |
| C5 | C6 | C61 | C62 | 53.4° | 60.0° |
| C5 | C6 | C61 | H61 | 63.2° | 180.0° |
| C6 | C5 | N4 | H41 | 28.9° | 61.0° |
| C6 | C5 | C1 | H11 | 19.5° | 0.0° |
| C6 | C5 | C1 | H12 | 104.3° | 122.5° |
| C61 | C6 | C5 | N4 | 172.3° | 61.5° |
| C61 | C6 | C5 | C1 | 60.8° | 176.8° |
| C61 | C6 | C5 | H51 | 66.6° | 60.9° |
| C6 | C61 | O62 | C62 | 124.0° | 120.0° |
| C6 | C61 | O62 | H61 | 120.0° | 120.0° |
| C6 | C61 | C62 | H61 | 116.9° | 120.1° |
| C6 | C61 | O62 | HO6 | 180.0° | 179.9° |
| C6 | C61 | C62 | H621 | 180.0° | 60.0° |
| C6 | C61 | C62 | H622 | 60.0° | 180.0° |
| C6 | C61 | C62 | H623 | 60.0° | 60.0° |
| H61A | C6 | C5 | N4 | 54.0° | 178.5° |
| H61A | C6 | C5 | C1 | 57.5° | 63.2° |
| H61A | C6 | C5 | H51 | 175.1° | 59.1° |
| H61A | C6 | C61 | O62 | 65.8° | 180.0° |
| H61A | C6 | C61 | C62 | 171.4° | 60.1° |
| H61A | C6 | C61 | H61 | 54.8° | 60.0° |
| N4 | C5 | C1 | H51 | 123.7° | 118.8° |
| C5 | N4 | C3 | H41 | 119.3° | 179.8° |
| C5 | N4 | C3 | C31 | 156.7° | 180.0° |
| N4 | C5 | C1 | H11 | 89.5° | 119.0° |
| N4 | C5 | C1 | H12 | 146.7° | 118.5° |
| C1 | C5 | N4 | C3 | 31.2° | 0.2° |
| C1 | C5 | N4 | H41 | 88.0° | 180.0° |
| C5 | C1 | H11 | H12 | 125.4° | 122.7° |
| H51 | C5 | N4 | C3 | 91.7° | 118.9° |
| H51 | C5 | N4 | H41 | 149.0° | 61.3° |
| H51 | C5 | C1 | H11 | 146.7° | 122.3° |
| H51 | C5 | C1 | H12 | 22.9° | 0.2° |
| N4 | C3 | C31 | O31 | 19.7° | 174.7° |
| N4 | C3 | C31 | O32 | 159.7° | 5.3° |
| C31 | C3 | N4 | H41 | 84.0° | 0.2° |
| C3 | C31 | O31 | O32 | 179.5° | 179.9° |
| C3 | C31 | O32 | H321 | 179.4° | 180.0° |
| O62 | C61 | C62 | H61 | 117.1° | 119.9° |
| O62 | C61 | C62 | H621 | 54.1° | 60.0° |
| O62 | C61 | C62 | H622 | 174.0° | 60.0° |
| O62 | C61 | C62 | H623 | 66.0° | 180.0° |
| C62 | C61 | O62 | HO6 | 56.0° | 59.9° |
| C61 | C62 | H621 | H622 | 120.0° | 120.0° |
| C61 | C62 | H621 | H623 | 120.0° | 119.9° |
| C61 | C62 | H622 | H623 | 120.0° | 119.9° |
| H61 | C61 | O62 | HO6 | 60.0° | 60.0° |
| H61 | C61 | C62 | H621 | 63.1° | 180.0° |
| H61 | C61 | C62 | H622 | 56.9° | 60.0° |
| H61 | C61 | C62 | H623 | 176.9° | 60.0° |
| H621 | C62 | H622 | H623 | 120.0° | 120.1° |
| O31 | C31 | O32 | H321 | 0.0° | 0.0° |
| S21 | C22 | C23 | H221 | 120.3° | 120.0° |
| S21 | C22 | C23 | H222 | 120.4° | 120.0° |
| S21 | C22 | H221 | H222 | 118.9° | 120.0° |
| S21 | C22 | C23 | N24 | 46.2° | 180.0° |
| S21 | C22 | C23 | H231 | 166.7° | 60.0° |
| S21 | C22 | C23 | H232 | 74.2° | 60.0° |
| C23 | C22 | H221 | H222 | 118.9° | 120.0° |
| C22 | C23 | N24 | H231 | 120.4° | 120.0° |
| C22 | C23 | N24 | H232 | 120.4° | 120.1° |
| C22 | C23 | H231 | H232 | 118.7° | 120.1° |
| C22 | C23 | N24 | C25 | 142.9° | 180.0° |
| C22 | C23 | N24 | H241 | 37.1° | 0.1° |
| H221 | C22 | C23 | N24 | 74.1° | 60.0° |
| H221 | C22 | C23 | H231 | 46.3° | 180.0° |
| H221 | C22 | C23 | H232 | 165.5° | 60.0° |
| H222 | C22 | C23 | N24 | 166.6° | 60.0° |
| H222 | C22 | C23 | H231 | 73.0° | 60.0° |
| H222 | C22 | C23 | H232 | 46.2° | 180.0° |
| N24 | C23 | H231 | H232 | 118.7° | 119.9° |
| C23 | N24 | C25 | H241 | 180.0° | 179.9° |
| C23 | N24 | C25 | N26 | 46.8° | 0.0° |
| C23 | N24 | C25 | H25 | 133.2° | 180.0° |
| H231 | C23 | N24 | C25 | 96.7° | 60.0° |
| H231 | C23 | N24 | H241 | 83.3° | 120.1° |
| H232 | C23 | N24 | C25 | 22.5° | 59.9° |
| H232 | C23 | N24 | H241 | 157.6° | 120.0° |
| N24 | C25 | N26 | H25 | 180.0° | 180.0° |
| N24 | C25 | N26 | H26 | 180.0° | 179.9° |
| H241 | N24 | C25 | N26 | 133.1° | 180.0° |
| H241 | N24 | C25 | H25 | 46.9° | 0.0° |
| H25 | C25 | N26 | H26 | 0.0° | 0.1° |
