2A0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.47Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å | |
| C7 | C | sing | 1.51Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.48Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | H | 109.5° | 111.0° |
| N | C1 | C2 | 113.7° | 109.5° |
| N | C1 | C3 | 109.5° | 109.5° |
| N | C1 | H1 | 106.7° | 109.5° |
| C1 | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.1° |
| C2 | C1 | C3 | 109.8° | 109.5° |
| C2 | C1 | H1 | 106.4° | 109.5° |
| C1 | C2 | H3 | 108.3° | 109.5° |
| C1 | C2 | H4 | 108.3° | 109.5° |
| C1 | C2 | N2 | 113.2° | 109.5° |
| C3 | C1 | H1 | 110.8° | 109.5° |
| C1 | C3 | C4 | 115.8° | 109.5° |
| C1 | C3 | H5 | 107.4° | 109.4° |
| C1 | C3 | H6 | 107.4° | 109.5° |
| H3 | C2 | H4 | 110.7° | 109.4° |
| H3 | C2 | N2 | 108.2° | 109.4° |
| H4 | C2 | N2 | 108.2° | 109.5° |
| C2 | N2 | C7 | 116.2° | 111.0° |
| C2 | N2 | H14 | 107.3° | 111.0° |
| C4 | C3 | H5 | 107.5° | 109.4° |
| C4 | C3 | H6 | 107.4° | 109.5° |
| C3 | C4 | C5 | 113.8° | 109.5° |
| C3 | C4 | H7 | 108.1° | 109.4° |
| C3 | C4 | H8 | 108.1° | 109.5° |
| H5 | C3 | H6 | 111.4° | 109.5° |
| C5 | C4 | H7 | 108.0° | 109.5° |
| C5 | C4 | H8 | 108.0° | 109.5° |
| C4 | C5 | C6 | 113.5° | 109.5° |
| C4 | C5 | H9 | 108.1° | 109.4° |
| C4 | C5 | H10 | 108.2° | 109.5° |
| H7 | C4 | H8 | 110.9° | 109.4° |
| C6 | C5 | H9 | 108.2° | 109.5° |
| C6 | C5 | H10 | 108.1° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.4° |
| C5 | C6 | H13 | 109.5° | 109.5° |
| H9 | C5 | H10 | 110.7° | 109.4° |
| H11 | C6 | H12 | 109.4° | 109.5° |
| H11 | C6 | H13 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| C7 | N2 | H14 | 107.3° | 111.0° |
| N2 | C7 | C | 110.9° | 109.5° |
| N2 | C7 | C9 | 115.3° | 109.5° |
| N2 | C7 | H15 | 104.2° | 109.4° |
| C | C7 | C9 | 109.1° | 109.5° |
| C | C7 | H15 | 111.0° | 109.5° |
| C7 | C | O | 122.9° | 120.0° |
| C7 | C | OXT | 115.6° | 120.0° |
| C9 | C7 | H15 | 106.2° | 109.5° |
| C7 | C9 | C10 | 110.6° | 109.5° |
| C7 | C9 | H16 | 109.1° | 109.4° |
| C7 | C9 | H17 | 109.1° | 109.5° |
| O | C | OXT | 121.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C10 | C9 | H16 | 109.1° | 109.5° |
| C10 | C9 | H17 | 109.1° | 109.5° |
| C9 | C10 | C11 | 111.8° | 109.5° |
| C9 | C10 | H18 | 108.7° | 109.5° |
| C9 | C10 | H19 | 108.7° | 109.4° |
| H16 | C9 | H17 | 109.9° | 109.5° |
| C11 | C10 | H18 | 108.7° | 109.5° |
| C11 | C10 | H19 | 108.7° | 109.5° |
| C10 | C11 | C12 | 114.3° | 109.5° |
| C10 | C11 | H20 | 107.9° | 109.5° |
| C10 | C11 | H21 | 107.9° | 109.5° |
| H18 | C10 | H19 | 110.2° | 109.5° |
| C12 | C11 | H20 | 107.9° | 109.5° |
| C12 | C11 | H21 | 107.9° | 109.5° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C11 | C12 | H23 | 109.5° | 109.5° |
| C11 | C12 | H24 | 109.5° | 109.4° |
| H20 | C11 | H21 | 111.0° | 109.4° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| H22 | C12 | H24 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | H | H2 | 120.0° | 123.9° |
| N | C1 | C2 | C3 | 123.0° | 120.0° |
| N | C1 | C2 | H1 | 117.1° | 120.0° |
| N | C1 | C3 | H1 | 117.4° | 120.0° |
| N | C1 | C2 | H3 | 173.5° | 175.0° |
| N | C1 | C2 | H4 | 66.5° | 65.0° |
| N | C1 | C2 | N2 | 53.5° | 55.0° |
| N | C1 | C3 | C4 | 53.5° | 65.0° |
| N | C1 | C3 | H5 | 66.6° | 55.0° |
| N | C1 | C3 | H6 | 173.5° | 175.0° |
| H | N | C1 | C2 | 180.0° | 60.0° |
| H | N | C1 | C3 | 56.8° | 60.0° |
| H | N | C1 | H1 | 63.2° | 180.0° |
| C2 | C1 | C3 | H1 | 117.2° | 120.0° |
| C1 | C2 | H3 | H4 | 118.5° | 120.0° |
| C1 | C2 | H3 | N2 | 123.0° | 120.0° |
| C1 | C2 | H4 | N2 | 123.0° | 120.1° |
| C2 | C1 | C3 | C4 | 178.9° | 175.0° |
| C2 | C1 | C3 | H5 | 58.9° | 65.0° |
| C2 | C1 | C3 | H6 | 61.1° | 55.0° |
| C1 | C2 | N2 | C7 | 148.7° | 180.0° |
| C1 | C2 | N2 | H14 | 91.3° | 56.0° |
| C2 | C1 | N | H2 | 60.0° | 176.0° |
| C3 | C1 | C2 | H3 | 63.5° | 65.0° |
| C3 | C1 | C2 | H4 | 56.5° | 55.0° |
| C3 | C1 | C2 | N2 | 176.5° | 175.0° |
| C1 | C3 | C4 | H5 | 120.0° | 119.9° |
| C1 | C3 | C4 | H6 | 120.0° | 120.1° |
| C1 | C3 | H5 | H6 | 117.4° | 120.0° |
| C1 | C3 | C4 | C5 | 52.7° | 180.0° |
| C1 | C3 | C4 | H7 | 67.3° | 60.0° |
| C1 | C3 | C4 | H8 | 172.7° | 60.0° |
| C3 | C1 | N | H2 | 176.8° | 64.0° |
| H1 | C1 | C2 | H3 | 56.4° | 55.0° |
| H1 | C1 | C2 | H4 | 176.5° | 175.0° |
| H1 | C1 | C2 | N2 | 63.5° | 64.9° |
| H1 | C1 | C3 | C4 | 63.9° | 55.0° |
| H1 | C1 | C3 | H5 | 176.0° | 175.0° |
| H1 | C1 | C3 | H6 | 56.1° | 65.1° |
| H1 | C1 | N | H2 | 56.9° | 56.0° |
| H3 | C2 | H4 | N2 | 118.5° | 119.9° |
| H3 | C2 | N2 | C7 | 28.7° | 60.0° |
| H3 | C2 | N2 | H14 | 148.7° | 176.0° |
| H4 | C2 | N2 | C7 | 91.3° | 59.9° |
| H4 | C2 | N2 | H14 | 28.7° | 64.0° |
| C2 | N2 | C7 | H14 | 120.0° | 124.0° |
| C2 | N2 | C7 | C | 63.9° | 85.0° |
| C2 | N2 | C7 | C9 | 171.6° | 155.0° |
| C2 | N2 | C7 | H15 | 55.6° | 35.0° |
| C4 | C3 | H5 | H6 | 117.4° | 120.0° |
| C3 | C4 | C5 | H7 | 120.0° | 120.0° |
| C3 | C4 | C5 | H8 | 120.0° | 120.1° |
| C3 | C4 | H7 | H8 | 118.3° | 120.0° |
| C3 | C4 | C5 | C6 | 58.0° | 180.0° |
| C3 | C4 | C5 | H9 | 62.1° | 60.0° |
| C3 | C4 | C5 | H10 | 178.0° | 59.9° |
| H5 | C3 | C4 | C5 | 172.7° | 60.1° |
| H5 | C3 | C4 | H7 | 52.7° | 179.9° |
| H5 | C3 | C4 | H8 | 67.3° | 60.0° |
| H6 | C3 | C4 | C5 | 67.3° | 59.9° |
| H6 | C3 | C4 | H7 | 172.7° | 60.1° |
| H6 | C3 | C4 | H8 | 52.7° | 180.0° |
| C5 | C4 | H7 | H8 | 118.2° | 120.0° |
| C4 | C5 | C6 | H9 | 120.0° | 120.0° |
| C4 | C5 | C6 | H10 | 120.0° | 120.1° |
| C4 | C5 | H9 | H10 | 118.4° | 120.0° |
| C4 | C5 | C6 | H11 | 180.0° | 180.0° |
| C4 | C5 | C6 | H12 | 60.0° | 60.0° |
| C4 | C5 | C6 | H13 | 60.0° | 59.9° |
| H7 | C4 | C5 | C6 | 178.0° | 60.0° |
| H7 | C4 | C5 | H9 | 58.0° | 180.0° |
| H7 | C4 | C5 | H10 | 62.0° | 60.1° |
| H8 | C4 | C5 | C6 | 62.0° | 59.9° |
| H8 | C4 | C5 | H9 | 178.0° | 60.1° |
| H8 | C4 | C5 | H10 | 58.0° | 180.0° |
| C6 | C5 | H9 | H10 | 118.3° | 120.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H13 | 120.0° | 120.1° |
| C5 | C6 | H12 | H13 | 120.0° | 120.0° |
| H9 | C5 | C6 | H11 | 60.0° | 60.0° |
| H9 | C5 | C6 | H12 | 180.0° | 180.0° |
| H9 | C5 | C6 | H13 | 60.0° | 60.0° |
| H10 | C5 | C6 | H11 | 60.0° | 59.9° |
| H10 | C5 | C6 | H12 | 60.0° | 60.1° |
| H10 | C5 | C6 | H13 | 180.0° | 180.0° |
| H11 | C6 | H12 | H13 | 120.0° | 120.0° |
| N2 | C7 | C | C9 | 128.0° | 120.0° |
| N2 | C7 | C | H15 | 115.3° | 120.0° |
| N2 | C7 | C9 | H15 | 114.8° | 120.0° |
| N2 | C7 | C | O | 27.3° | 0.0° |
| N2 | C7 | C | OXT | 155.6° | 180.0° |
| N2 | C7 | C9 | C10 | 60.6° | 65.0° |
| N2 | C7 | C9 | H16 | 179.4° | 55.0° |
| N2 | C7 | C9 | H17 | 59.4° | 175.0° |
| H14 | N2 | C7 | C | 176.1° | 151.0° |
| H14 | N2 | C7 | C9 | 51.5° | 31.0° |
| H14 | N2 | C7 | H15 | 64.4° | 89.0° |
| C | C7 | C9 | H15 | 119.7° | 120.0° |
| C7 | C | O | OXT | 176.8° | 180.0° |
| C | C7 | C9 | C10 | 64.9° | 175.0° |
| C | C7 | C9 | H16 | 55.1° | 65.0° |
| C | C7 | C9 | H17 | 175.1° | 55.0° |
| C7 | C | OXT | HXT | 177.1° | 180.0° |
| C9 | C7 | C | O | 100.7° | 120.0° |
| C9 | C7 | C | OXT | 76.4° | 60.0° |
| C7 | C9 | C10 | H16 | 120.0° | 120.0° |
| C7 | C9 | C10 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H17 | 119.5° | 120.0° |
| C7 | C9 | C10 | C11 | 173.5° | 180.0° |
| C7 | C9 | C10 | H18 | 66.5° | 60.0° |
| C7 | C9 | C10 | H19 | 53.5° | 60.0° |
| H15 | C7 | C | O | 142.7° | 120.0° |
| H15 | C7 | C | OXT | 40.3° | 60.0° |
| H15 | C7 | C9 | C10 | 175.4° | 55.0° |
| H15 | C7 | C9 | H16 | 64.6° | 175.0° |
| H15 | C7 | C9 | H17 | 55.4° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C10 | C9 | H16 | H17 | 119.6° | 120.0° |
| C9 | C10 | C11 | H18 | 120.0° | 120.0° |
| C9 | C10 | C11 | H19 | 120.0° | 120.0° |
| C9 | C10 | H18 | H19 | 119.1° | 120.0° |
| C9 | C10 | C11 | C12 | 174.2° | 180.0° |
| C9 | C10 | C11 | H20 | 65.8° | 60.0° |
| C9 | C10 | C11 | H21 | 54.2° | 60.0° |
| H16 | C9 | C10 | C11 | 53.6° | 60.0° |
| H16 | C9 | C10 | H18 | 173.6° | 179.9° |
| H16 | C9 | C10 | H19 | 66.4° | 60.0° |
| H17 | C9 | C10 | C11 | 66.5° | 60.0° |
| H17 | C9 | C10 | H18 | 53.5° | 60.0° |
| H17 | C9 | C10 | H19 | 173.5° | 180.0° |
| C11 | C10 | H18 | H19 | 119.0° | 120.0° |
| C10 | C11 | C12 | H20 | 120.0° | 120.0° |
| C10 | C11 | C12 | H21 | 120.0° | 120.0° |
| C10 | C11 | H20 | H21 | 118.0° | 120.0° |
| C10 | C11 | C12 | H22 | 180.0° | 180.0° |
| C10 | C11 | C12 | H23 | 60.0° | 60.0° |
| C10 | C11 | C12 | H24 | 60.0° | 60.0° |
| H18 | C10 | C11 | C12 | 54.2° | 60.0° |
| H18 | C10 | C11 | H20 | 174.2° | 180.0° |
| H18 | C10 | C11 | H21 | 65.8° | 60.0° |
| H19 | C10 | C11 | C12 | 65.8° | 60.0° |
| H19 | C10 | C11 | H20 | 54.2° | 60.0° |
| H19 | C10 | C11 | H21 | 174.2° | 180.0° |
| C12 | C11 | H20 | H21 | 118.0° | 120.0° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C11 | C12 | H22 | H24 | 120.0° | 120.0° |
| C11 | C12 | H23 | H24 | 120.0° | 120.0° |
| H20 | C11 | C12 | H22 | 60.0° | 60.0° |
| H20 | C11 | C12 | H23 | 180.0° | 180.0° |
| H20 | C11 | C12 | H24 | 60.0° | 60.0° |
| H21 | C11 | C12 | H22 | 60.0° | 60.0° |
| H21 | C11 | C12 | H23 | 60.0° | 60.1° |
| H21 | C11 | C12 | H24 | 180.0° | 179.9° |
| H22 | C12 | H23 | H24 | 120.0° | 120.0° |
