IN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.51Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | N6 | sing | 1.46Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| N6 | N7 | sing | 1.40Å | 1.41Å | |
| N6 | C12 | sing | 1.35Å | 1.35Å | |
| N7 | C8 | sing | 1.35Å | 1.31Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C8 | O8 | doub | 1.22Å | 1.21Å | |
| C8 | N9 | sing | 1.35Å | 1.32Å | |
| N9 | C10 | sing | 1.46Å | 1.45Å | |
| N9 | C11 | sing | 1.47Å | 1.45Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | O1 | doub | 1.21Å | 1.25Å | |
| C12 | O2 | sing | 1.35Å | 1.35Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 122.3° | 106.7° |
| C2 | N1 | HN12 | 107.7° | 106.8° |
| N1 | C2 | C3 | 122.2° | 109.5° |
| N1 | C2 | H21 | 107.6° | 109.4° |
| N1 | C2 | H22 | 107.6° | 109.4° |
| HN11 | N1 | HN12 | 107.7° | 106.7° |
| C3 | C2 | H21 | 107.7° | 109.4° |
| C3 | C2 | H22 | 107.7° | 109.5° |
| C2 | C3 | C4 | 114.8° | 109.5° |
| C2 | C3 | H31 | 110.3° | 109.4° |
| C2 | C3 | H32 | 110.2° | 109.5° |
| H21 | C2 | H22 | 102.2° | 109.4° |
| C4 | C3 | H31 | 110.2° | 109.5° |
| C4 | C3 | H32 | 110.3° | 109.5° |
| C3 | C4 | C5 | 120.0° | 109.5° |
| C3 | C4 | H41 | 108.4° | 109.4° |
| C3 | C4 | H42 | 108.4° | 109.5° |
| H31 | C3 | H32 | 100.0° | 109.5° |
| C5 | C4 | H41 | 108.4° | 109.5° |
| C5 | C4 | H42 | 108.4° | 109.5° |
| C4 | C5 | N6 | 119.8° | 109.5° |
| C4 | C5 | H51 | 108.5° | 109.5° |
| C4 | C5 | H52 | 108.5° | 109.5° |
| H41 | C4 | H42 | 101.6° | 109.5° |
| N6 | C5 | H51 | 108.5° | 109.5° |
| N6 | C5 | H52 | 108.5° | 109.4° |
| C5 | N6 | N7 | 114.7° | 120.0° |
| C5 | N6 | C12 | 129.8° | 120.0° |
| H51 | C5 | H52 | 101.5° | 109.5° |
| N7 | N6 | C12 | 115.2° | 120.0° |
| N6 | N7 | C8 | 112.6° | 120.0° |
| N6 | N7 | HN7 | 111.1° | 120.0° |
| N6 | C12 | O1 | 115.2° | 120.0° |
| N6 | C12 | O2 | 116.3° | 120.0° |
| C8 | N7 | HN7 | 111.1° | 120.0° |
| N7 | C8 | O8 | 123.5° | 120.0° |
| N7 | C8 | N9 | 114.3° | 120.0° |
| O8 | C8 | N9 | 122.2° | 120.0° |
| C8 | N9 | C10 | 120.1° | 120.0° |
| C8 | N9 | C11 | 124.8° | 120.0° |
| C10 | N9 | C11 | 114.8° | 120.0° |
| N9 | C10 | H101 | 120.1° | 109.5° |
| N9 | C10 | H102 | 108.4° | 109.5° |
| N9 | C10 | H103 | 108.4° | 109.4° |
| N9 | C11 | H111 | 124.8° | 109.5° |
| N9 | C11 | H112 | 106.8° | 109.5° |
| N9 | C11 | H113 | 106.8° | 109.4° |
| H101 | C10 | H102 | 108.5° | 109.5° |
| H101 | C10 | H103 | 108.4° | 109.5° |
| H102 | C10 | H103 | 101.5° | 109.4° |
| H111 | C11 | H112 | 106.8° | 109.5° |
| H111 | C11 | H113 | 106.8° | 109.5° |
| H112 | C11 | H113 | 102.8° | 109.4° |
| O1 | C12 | O2 | 128.2° | 120.0° |
| C12 | O2 | HO2 | 116.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 125.3° | 113.8° |
| N1 | C2 | C3 | H21 | 125.2° | 120.0° |
| N1 | C2 | C3 | H22 | 125.3° | 120.0° |
| N1 | C2 | H21 | H22 | 113.2° | 119.9° |
| N1 | C2 | C3 | C4 | 153.5° | 180.0° |
| N1 | C2 | C3 | H31 | 81.2° | 60.0° |
| N1 | C2 | C3 | H32 | 28.2° | 59.9° |
| HN11 | N1 | C2 | C3 | 180.0° | 66.3° |
| HN11 | N1 | C2 | H21 | 54.7° | 173.7° |
| HN11 | N1 | C2 | H22 | 54.7° | 53.8° |
| HN12 | N1 | C2 | C3 | 54.7° | 180.0° |
| HN12 | N1 | C2 | H21 | 180.0° | 60.0° |
| HN12 | N1 | C2 | H22 | 70.6° | 59.9° |
| C3 | C2 | H21 | H22 | 113.3° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.1° | 120.0° |
| C2 | C3 | C4 | C5 | 119.6° | 180.0° |
| C2 | C3 | C4 | H41 | 115.2° | 60.1° |
| C2 | C3 | C4 | H42 | 5.7° | 60.0° |
| H21 | C2 | C3 | C4 | 28.2° | 60.0° |
| H21 | C2 | C3 | H31 | 153.5° | 180.0° |
| H21 | C2 | C3 | H32 | 97.0° | 60.0° |
| H22 | C2 | C3 | C4 | 81.3° | 60.0° |
| H22 | C2 | C3 | H31 | 44.0° | 60.0° |
| H22 | C2 | C3 | H32 | 153.5° | 180.0° |
| C4 | C3 | H31 | H32 | 116.1° | 120.1° |
| C3 | C4 | C5 | H41 | 125.2° | 119.9° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 114.1° | 120.0° |
| C3 | C4 | C5 | N6 | 162.6° | 180.0° |
| C3 | C4 | C5 | H51 | 72.1° | 60.0° |
| C3 | C4 | C5 | H52 | 37.3° | 60.0° |
| H31 | C3 | C4 | C5 | 5.7° | 60.1° |
| H31 | C3 | C4 | H41 | 119.6° | 180.0° |
| H31 | C3 | C4 | H42 | 131.0° | 59.9° |
| H32 | C3 | C4 | C5 | 115.2° | 60.0° |
| H32 | C3 | C4 | H41 | 10.1° | 60.0° |
| H32 | C3 | C4 | H42 | 119.5° | 180.0° |
| C5 | C4 | H41 | H42 | 114.1° | 120.0° |
| C4 | C5 | N6 | H51 | 125.2° | 120.0° |
| C4 | C5 | N6 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 114.1° | 120.0° |
| C4 | C5 | N6 | N7 | 142.5° | 90.0° |
| C4 | C5 | N6 | C12 | 31.1° | 90.0° |
| H41 | C4 | C5 | N6 | 37.4° | 60.0° |
| H41 | C4 | C5 | H51 | 162.6° | 180.0° |
| H41 | C4 | C5 | H52 | 87.9° | 59.9° |
| H42 | C4 | C5 | N6 | 72.1° | 60.0° |
| H42 | C4 | C5 | H51 | 53.1° | 60.0° |
| H42 | C4 | C5 | H52 | 162.6° | 180.0° |
| N6 | C5 | H51 | H52 | 114.2° | 120.0° |
| C5 | N6 | N7 | C12 | 174.6° | 180.0° |
| C5 | N6 | N7 | C8 | 80.4° | 92.6° |
| C5 | N6 | N7 | HN7 | 44.9° | 87.4° |
| C5 | N6 | C12 | O1 | 177.5° | 179.9° |
| C5 | N6 | C12 | O2 | 3.1° | 0.0° |
| H51 | C5 | N6 | N7 | 92.2° | 150.0° |
| H51 | C5 | N6 | C12 | 94.2° | 30.0° |
| H52 | C5 | N6 | N7 | 17.3° | 30.0° |
| H52 | C5 | N6 | C12 | 156.3° | 150.0° |
| N6 | N7 | C8 | HN7 | 125.3° | 179.9° |
| N6 | N7 | C8 | O8 | 48.1° | 175.0° |
| N6 | N7 | C8 | N9 | 129.3° | 4.9° |
| N7 | N6 | C12 | O1 | 8.9° | 0.0° |
| N7 | N6 | C12 | O2 | 176.7° | 180.0° |
| C12 | N6 | N7 | C8 | 94.2° | 87.4° |
| C12 | N6 | N7 | HN7 | 140.5° | 92.6° |
| N6 | C12 | O1 | O2 | 173.6° | 180.0° |
| N6 | C12 | O2 | HO2 | 180.0° | 0.0° |
| N7 | C8 | O8 | N9 | 177.2° | 179.9° |
| N7 | C8 | N9 | C10 | 7.5° | 7.1° |
| N7 | C8 | N9 | C11 | 179.2° | 172.8° |
| HN7 | N7 | C8 | O8 | 173.3° | 5.1° |
| HN7 | N7 | C8 | N9 | 4.0° | 175.0° |
| O8 | C8 | N9 | C10 | 169.9° | 172.9° |
| O8 | C8 | N9 | C11 | 3.4° | 7.3° |
| C8 | N9 | C10 | C11 | 173.9° | 179.9° |
| C8 | N9 | C10 | H101 | 180.0° | 178.0° |
| C8 | N9 | C10 | H102 | 54.7° | 61.8° |
| C8 | N9 | C10 | H103 | 54.7° | 58.1° |
| C8 | N9 | C11 | H111 | 180.0° | 5.0° |
| C8 | N9 | C11 | H112 | 54.7° | 125.1° |
| C8 | N9 | C11 | H113 | 54.7° | 115.0° |
| N9 | C10 | H101 | H102 | 125.3° | 120.1° |
| N9 | C10 | H101 | H103 | 125.2° | 119.9° |
| N9 | C10 | H102 | H103 | 114.0° | 119.9° |
| C10 | N9 | C11 | H111 | 6.3° | 174.8° |
| C10 | N9 | C11 | H112 | 118.9° | 54.8° |
| C10 | N9 | C11 | H113 | 131.7° | 65.2° |
| C11 | N9 | C10 | H101 | 6.0° | 2.1° |
| C11 | N9 | C10 | H102 | 131.3° | 118.0° |
| C11 | N9 | C10 | H103 | 119.2° | 122.1° |
| N9 | C11 | H111 | H112 | 125.3° | 120.0° |
| N9 | C11 | H111 | H113 | 125.3° | 120.0° |
| N9 | C11 | H112 | H113 | 112.2° | 120.0° |
| H101 | C10 | H102 | H103 | 114.1° | 120.0° |
| H111 | C11 | H112 | H113 | 112.2° | 120.0° |
| O1 | C12 | O2 | HO2 | 6.5° | 180.0° |
