7J4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.25Å | |
| C02 | C22 | sing | 1.51Å | 1.48Å | |
| N32 | C22 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C24 | N25 | sing | 1.35Å | 1.42Å | |
| C24 | O31 | doub | 1.21Å | 1.25Å | |
| C30 | C27 | sing | 1.53Å | 1.53Å | |
| N25 | O26 | sing | 1.42Å | 1.37Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | O26 | sing | 1.43Å | 1.44Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| N25 | H21 | sing | 0.97Å | 1.00Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| N32 | H31 | sing | 1.01Å | 1.00Å | |
| C02 | OXT | sing | 1.34Å | 1.36Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N32 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C22 | 115.8° | 120.0° |
| O01 | C02 | OXT | 115.8° | 120.0° |
| C02 | C22 | N32 | 107.5° | 109.4° |
| C02 | C22 | C23 | 108.1° | 109.5° |
| C02 | C22 | H18 | 109.5° | 109.5° |
| C22 | C02 | OXT | 128.3° | 120.0° |
| N32 | C22 | C23 | 113.1° | 109.4° |
| N32 | C22 | H18 | 109.9° | 109.5° |
| C22 | N32 | H31 | 109.5° | 111.0° |
| C22 | N32 | H2 | 109.5° | 111.0° |
| C22 | C23 | C24 | 121.4° | 109.5° |
| C23 | C22 | H18 | 108.7° | 109.4° |
| C22 | C23 | H19 | 106.4° | 109.5° |
| C22 | C23 | H20 | 106.4° | 109.4° |
| C23 | C24 | N25 | 120.9° | 120.1° |
| C23 | C24 | O31 | 119.3° | 120.0° |
| C24 | C23 | H19 | 106.4° | 109.5° |
| C24 | C23 | H20 | 106.4° | 109.5° |
| N25 | C24 | O31 | 119.8° | 120.0° |
| C24 | N25 | O26 | 123.3° | 120.0° |
| C24 | N25 | H21 | 118.4° | 119.9° |
| C30 | C27 | C28 | 109.6° | 109.5° |
| C30 | C27 | O26 | 108.7° | 109.5° |
| C30 | C27 | C29 | 107.4° | 109.5° |
| C27 | C30 | H28 | 109.5° | 109.5° |
| C27 | C30 | H29 | 109.5° | 109.5° |
| C27 | C30 | H30 | 109.5° | 109.4° |
| N25 | O26 | C27 | 113.7° | 114.0° |
| O26 | N25 | H21 | 118.3° | 120.0° |
| C28 | C27 | O26 | 112.8° | 109.4° |
| C28 | C27 | C29 | 108.8° | 109.5° |
| C27 | C28 | H22 | 109.5° | 109.5° |
| C27 | C28 | H23 | 109.4° | 109.4° |
| C27 | C28 | H24 | 109.4° | 109.4° |
| O26 | C27 | C29 | 109.3° | 109.5° |
| C27 | C29 | H25 | 109.5° | 109.5° |
| C27 | C29 | H26 | 109.4° | 109.5° |
| C27 | C29 | H27 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.4° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H27 | 109.5° | 109.4° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | N32 | H2 | 109.5° | 111.0° |
| C02 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C22 | OXT | 178.9° | 179.7° |
| O01 | C02 | C22 | N32 | 46.7° | 20.0° |
| O01 | C02 | C22 | C23 | 75.7° | 100.0° |
| O01 | C02 | C22 | H18 | 166.0° | 140.0° |
| O01 | C02 | OXT | HXT | 0.0° | 0.1° |
| C02 | C22 | N32 | C23 | 119.2° | 120.0° |
| C02 | C22 | N32 | H18 | 119.1° | 120.0° |
| C02 | C22 | C23 | H18 | 118.8° | 120.1° |
| C02 | C22 | C23 | C24 | 134.9° | 175.0° |
| C02 | C22 | C23 | H19 | 103.5° | 65.0° |
| C02 | C22 | C23 | H20 | 13.2° | 55.0° |
| C02 | C22 | N32 | H31 | 180.0° | 60.0° |
| C22 | C02 | OXT | HXT | 178.9° | 179.7° |
| C02 | C22 | N32 | H2 | 60.0° | 176.0° |
| N32 | C22 | C23 | H18 | 122.3° | 120.0° |
| N32 | C22 | C23 | C24 | 106.2° | 65.0° |
| N32 | C22 | C23 | H19 | 15.4° | 55.0° |
| N32 | C22 | C23 | H20 | 132.1° | 175.0° |
| C22 | N32 | H31 | H2 | 120.0° | 123.9° |
| N32 | C22 | C02 | OXT | 134.4° | 160.3° |
| C22 | C23 | C24 | H19 | 121.7° | 120.0° |
| C22 | C23 | C24 | H20 | 121.7° | 120.0° |
| C22 | C23 | C24 | N25 | 128.9° | 180.0° |
| C22 | C23 | C24 | O31 | 52.4° | 0.0° |
| C22 | C23 | H19 | H20 | 114.6° | 120.0° |
| C23 | C22 | N32 | H31 | 60.8° | 60.0° |
| C23 | C22 | C02 | OXT | 103.2° | 79.7° |
| C23 | C22 | N32 | H2 | 179.2° | 63.9° |
| C23 | C24 | N25 | O31 | 178.7° | 180.0° |
| C23 | C24 | N25 | O26 | 179.8° | 180.0° |
| C24 | C23 | C22 | H18 | 16.1° | 55.0° |
| C24 | C23 | H19 | H20 | 114.6° | 120.0° |
| C23 | C24 | N25 | H21 | 0.2° | 0.0° |
| C24 | N25 | O26 | H21 | 180.0° | 180.0° |
| C24 | N25 | O26 | C27 | 112.3° | 180.0° |
| N25 | C24 | C23 | H19 | 7.2° | 60.0° |
| N25 | C24 | C23 | H20 | 109.4° | 60.0° |
| O31 | C24 | N25 | O26 | 1.1° | 0.0° |
| O31 | C24 | C23 | H19 | 174.0° | 120.1° |
| O31 | C24 | C23 | H20 | 69.3° | 120.0° |
| O31 | C24 | N25 | H21 | 178.9° | 180.0° |
| C30 | C27 | O26 | N25 | 56.7° | 180.0° |
| C30 | C27 | C28 | O26 | 121.3° | 120.0° |
| C30 | C27 | C28 | C29 | 117.2° | 120.0° |
| C30 | C27 | O26 | C29 | 117.0° | 120.0° |
| C30 | C27 | C28 | H22 | 180.0° | 180.0° |
| C30 | C27 | C28 | H23 | 60.0° | 59.9° |
| C30 | C27 | C28 | H24 | 60.0° | 59.9° |
| C30 | C27 | C29 | H25 | 180.0° | 60.0° |
| C30 | C27 | C29 | H26 | 60.0° | 60.0° |
| C30 | C27 | C29 | H27 | 60.0° | 180.0° |
| C27 | C30 | H28 | H29 | 120.0° | 120.0° |
| C27 | C30 | H28 | H30 | 120.0° | 120.0° |
| C27 | C30 | H29 | H30 | 120.0° | 120.0° |
| N25 | O26 | C27 | C28 | 65.1° | 60.0° |
| N25 | O26 | C27 | C29 | 173.7° | 60.0° |
| C28 | C27 | O26 | C29 | 121.2° | 120.0° |
| C27 | C28 | H22 | H23 | 120.0° | 120.0° |
| C27 | C28 | H22 | H24 | 120.0° | 120.0° |
| C27 | C28 | H23 | H24 | 120.0° | 119.9° |
| C28 | C27 | C29 | H25 | 61.4° | 180.0° |
| C28 | C27 | C29 | H26 | 178.6° | 60.0° |
| C28 | C27 | C29 | H27 | 58.6° | 60.0° |
| C28 | C27 | C30 | H28 | 180.0° | 60.0° |
| C28 | C27 | C30 | H29 | 60.0° | 60.0° |
| C28 | C27 | C30 | H30 | 60.0° | 180.0° |
| C27 | O26 | N25 | H21 | 67.8° | 0.0° |
| O26 | C27 | C28 | H22 | 58.7° | 60.0° |
| O26 | C27 | C28 | H23 | 178.8° | 180.0° |
| O26 | C27 | C28 | H24 | 61.3° | 60.1° |
| O26 | C27 | C29 | H25 | 62.2° | 60.0° |
| O26 | C27 | C29 | H26 | 57.8° | 180.0° |
| O26 | C27 | C29 | H27 | 177.8° | 60.0° |
| O26 | C27 | C30 | H28 | 56.3° | 60.0° |
| O26 | C27 | C30 | H29 | 63.7° | 180.0° |
| O26 | C27 | C30 | H30 | 176.3° | 60.0° |
| C29 | C27 | C28 | H22 | 62.8° | 60.0° |
| C29 | C27 | C28 | H23 | 57.3° | 60.1° |
| C29 | C27 | C28 | H24 | 177.2° | 179.9° |
| C27 | C29 | H25 | H26 | 120.0° | 120.0° |
| C27 | C29 | H25 | H27 | 120.0° | 120.0° |
| C27 | C29 | H26 | H27 | 120.0° | 120.0° |
| C29 | C27 | C30 | H28 | 61.9° | 180.0° |
| C29 | C27 | C30 | H29 | 178.1° | 60.0° |
| C29 | C27 | C30 | H30 | 58.1° | 60.0° |
| H18 | C22 | C23 | H19 | 137.8° | 175.0° |
| H18 | C22 | C23 | H20 | 105.6° | 65.1° |
| H18 | C22 | N32 | H31 | 60.9° | 179.9° |
| H18 | C22 | C02 | OXT | 15.1° | 40.3° |
| H18 | C22 | N32 | H2 | 59.1° | 56.0° |
| H22 | C28 | H23 | H24 | 120.0° | 120.0° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
