5ZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | N2 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| O4 | C9 | doub | 1.21Å | 1.26Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | O3 | sing | 1.34Å | 1.26Å | |
| O6 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | O5 | sing | 1.34Å | 1.25Å | |
| C12 | O7 | sing | 1.43Å | 1.40Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.48Å | 1.58Å | |
| N1 | C2 | sing | 1.49Å | 1.33Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C5 | C4 | sing | 1.54Å | 1.59Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C2 | C3 | sing | 1.55Å | 1.68Å | |
| C4 | C3 | sing | 1.55Å | 1.31Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| O3 | H22 | sing | 0.97Å | 0.95Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| O7 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N2 | 110.1° | 109.5° |
| C10 | C11 | C12 | 112.7° | 109.5° |
| C11 | C10 | H11 | 109.3° | 109.5° |
| C11 | C10 | H12 | 109.3° | 109.4° |
| C10 | C11 | H13 | 108.7° | 109.5° |
| C10 | C11 | H14 | 108.6° | 109.5° |
| C10 | N2 | C8 | 110.2° | 111.0° |
| N2 | C10 | H11 | 109.3° | 109.5° |
| N2 | C10 | H12 | 109.3° | 109.5° |
| C10 | N2 | H19 | 109.3° | 111.0° |
| C11 | C12 | C13 | 110.0° | 109.5° |
| C11 | C12 | O7 | 109.5° | 109.5° |
| C12 | C11 | H13 | 108.6° | 109.4° |
| C12 | C11 | H14 | 108.6° | 109.5° |
| C11 | C12 | H15 | 108.4° | 109.5° |
| O4 | C9 | C8 | 120.0° | 120.0° |
| O4 | C9 | O3 | 119.8° | 120.0° |
| C9 | C8 | N2 | 109.9° | 109.5° |
| C9 | C8 | C7 | 109.1° | 109.5° |
| C8 | C9 | O3 | 120.2° | 120.0° |
| C9 | C8 | H18 | 109.3° | 109.5° |
| N2 | C8 | C7 | 109.4° | 109.5° |
| N2 | C8 | H18 | 109.9° | 109.4° |
| C8 | N2 | H19 | 109.3° | 111.0° |
| C8 | C7 | C6 | 112.3° | 109.5° |
| C8 | C7 | H16 | 108.7° | 109.5° |
| C8 | C7 | H17 | 108.7° | 109.5° |
| C7 | C8 | H18 | 109.2° | 109.5° |
| C9 | O3 | H22 | 109.5° | 117.0° |
| O6 | C13 | C12 | 119.9° | 120.0° |
| O6 | C13 | O5 | 120.0° | 120.0° |
| C12 | C13 | O5 | 120.1° | 120.0° |
| C13 | C12 | O7 | 109.1° | 109.5° |
| C13 | C12 | H15 | 109.2° | 109.4° |
| C13 | O5 | H23 | 109.5° | 117.1° |
| O7 | C12 | H15 | 110.6° | 109.4° |
| C12 | O7 | H24 | 109.5° | 114.0° |
| C7 | C6 | N1 | 110.8° | 109.5° |
| C7 | C6 | H9 | 109.2° | 109.5° |
| C7 | C6 | H10 | 109.2° | 109.4° |
| C6 | C7 | H16 | 108.8° | 109.4° |
| C6 | C7 | H17 | 108.7° | 109.4° |
| C6 | N1 | C5 | 109.4° | 111.0° |
| C6 | N1 | C2 | 109.3° | 111.0° |
| N1 | C6 | H9 | 109.1° | 109.5° |
| N1 | C6 | H10 | 109.1° | 109.4° |
| C5 | N1 | C2 | 105.8° | 105.8° |
| N1 | C5 | C4 | 105.4° | 107.1° |
| N1 | C5 | H7 | 110.5° | 109.9° |
| N1 | C5 | H8 | 110.5° | 109.9° |
| N1 | C2 | C1 | 110.5° | 110.7° |
| N1 | C2 | C3 | 106.7° | 103.3° |
| N1 | C2 | H2 | 112.6° | 110.7° |
| O1 | C1 | C2 | 120.6° | 120.0° |
| O1 | C1 | O2 | 120.0° | 120.0° |
| C5 | C4 | C3 | 104.7° | 105.1° |
| C5 | C4 | H5 | 110.7° | 110.3° |
| C5 | C4 | H6 | 110.7° | 110.4° |
| C4 | C5 | H7 | 110.5° | 109.9° |
| C4 | C5 | H8 | 110.5° | 110.0° |
| C2 | C1 | O2 | 119.4° | 120.0° |
| C1 | C2 | C3 | 109.1° | 110.7° |
| C1 | C2 | H2 | 110.1° | 110.7° |
| C1 | O2 | H21 | 109.5° | 117.0° |
| C2 | C3 | C4 | 105.1° | 102.9° |
| C3 | C2 | H2 | 107.7° | 110.7° |
| C2 | C3 | H3 | 110.6° | 110.7° |
| C2 | C3 | H4 | 110.6° | 110.8° |
| C4 | C3 | H3 | 110.6° | 110.7° |
| C4 | C3 | H4 | 110.6° | 110.9° |
| C3 | C4 | H5 | 110.6° | 110.3° |
| C3 | C4 | H6 | 110.7° | 110.3° |
| H3 | C3 | H4 | 109.5° | 110.7° |
| H5 | C4 | H6 | 109.4° | 110.3° |
| H7 | C5 | H8 | 109.5° | 110.1° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N2 | H11 | 120.1° | 120.0° |
| C11 | C10 | N2 | H12 | 120.1° | 119.9° |
| C10 | C11 | C12 | H13 | 120.5° | 120.0° |
| C10 | C11 | C12 | H14 | 120.5° | 120.1° |
| C11 | C10 | N2 | C8 | 172.5° | 180.0° |
| C10 | C11 | C12 | C13 | 70.9° | 175.0° |
| C10 | C11 | C12 | O7 | 49.0° | 65.0° |
| C11 | C10 | H11 | H12 | 119.7° | 120.0° |
| C10 | C11 | H13 | H14 | 118.5° | 120.1° |
| C10 | C11 | C12 | H15 | 169.8° | 55.0° |
| C11 | C10 | N2 | H19 | 52.4° | 56.0° |
| N2 | C10 | C11 | C12 | 41.6° | 180.0° |
| C10 | N2 | C8 | C9 | 84.4° | 85.0° |
| C10 | N2 | C8 | H19 | 120.1° | 124.0° |
| C10 | N2 | C8 | C7 | 155.9° | 155.0° |
| N2 | C10 | H11 | H12 | 119.7° | 120.0° |
| N2 | C10 | C11 | H13 | 78.9° | 60.1° |
| N2 | C10 | C11 | H14 | 162.1° | 60.0° |
| C10 | N2 | C8 | H18 | 36.0° | 35.0° |
| C11 | C12 | C13 | O6 | 88.2° | 114.9° |
| C11 | C12 | C13 | O7 | 120.1° | 120.0° |
| C11 | C12 | C13 | H15 | 118.9° | 120.0° |
| C11 | C12 | C13 | O5 | 91.8° | 65.0° |
| C11 | C12 | O7 | H15 | 119.5° | 120.0° |
| C12 | C11 | C10 | H11 | 78.5° | 59.9° |
| C12 | C11 | C10 | H12 | 161.7° | 60.0° |
| C12 | C11 | H13 | H14 | 118.5° | 120.0° |
| C11 | C12 | O7 | H24 | 180.0° | 60.0° |
| O4 | C9 | C8 | O3 | 179.8° | 180.0° |
| O4 | C9 | C8 | N2 | 171.7° | 0.0° |
| O4 | C9 | C8 | C7 | 68.4° | 120.0° |
| O4 | C9 | C8 | H18 | 50.9° | 120.0° |
| O4 | C9 | O3 | H22 | 0.0° | 0.0° |
| C9 | C8 | N2 | C7 | 119.8° | 120.0° |
| C9 | C8 | N2 | H18 | 120.4° | 120.0° |
| C9 | C8 | C7 | H18 | 119.4° | 120.0° |
| C9 | C8 | C7 | C6 | 42.1° | 175.0° |
| C9 | C8 | C7 | H16 | 78.3° | 55.1° |
| C9 | C8 | C7 | H17 | 162.5° | 65.0° |
| C9 | C8 | N2 | H19 | 155.5° | 151.0° |
| C8 | C9 | O3 | H22 | 179.8° | 180.0° |
| N2 | C8 | C7 | H18 | 120.3° | 120.0° |
| N2 | C8 | C9 | O3 | 8.5° | 180.0° |
| N2 | C8 | C7 | C6 | 78.1° | 65.0° |
| C8 | N2 | C10 | H11 | 67.4° | 60.0° |
| C8 | N2 | C10 | H12 | 52.4° | 60.0° |
| N2 | C8 | C7 | H16 | 161.5° | 175.1° |
| N2 | C8 | C7 | H17 | 42.3° | 55.0° |
| C7 | C8 | C9 | O3 | 111.4° | 60.0° |
| C8 | C7 | C6 | H16 | 120.4° | 120.0° |
| C8 | C7 | C6 | H17 | 120.4° | 120.0° |
| C8 | C7 | C6 | N1 | 70.4° | 180.0° |
| C8 | C7 | C6 | H9 | 49.8° | 60.0° |
| C8 | C7 | C6 | H10 | 169.4° | 60.0° |
| C8 | C7 | H16 | H17 | 118.7° | 120.1° |
| C7 | C8 | N2 | H19 | 35.8° | 31.1° |
| O3 | C9 | C8 | H18 | 129.3° | 60.0° |
| O6 | C13 | C12 | O5 | 180.0° | 179.9° |
| O6 | C13 | C12 | O7 | 151.6° | 5.1° |
| O6 | C13 | C12 | H15 | 30.6° | 125.0° |
| O6 | C13 | O5 | H23 | 0.0° | 0.1° |
| C13 | C12 | O7 | H15 | 120.1° | 119.9° |
| C13 | C12 | C11 | H13 | 168.6° | 55.0° |
| C13 | C12 | C11 | H14 | 49.5° | 65.0° |
| C12 | C13 | O5 | H23 | 180.0° | 180.0° |
| C13 | C12 | O7 | H24 | 59.6° | 60.1° |
| O5 | C13 | C12 | O7 | 28.3° | 175.0° |
| O5 | C13 | C12 | H15 | 149.3° | 55.1° |
| O7 | C12 | C11 | H13 | 71.5° | 175.0° |
| O7 | C12 | C11 | H14 | 169.4° | 55.0° |
| C7 | C6 | N1 | H9 | 120.2° | 120.0° |
| C7 | C6 | N1 | H10 | 120.2° | 119.9° |
| C7 | C6 | N1 | C5 | 61.8° | 69.9° |
| C7 | C6 | N1 | C2 | 177.2° | 172.7° |
| C7 | C6 | H9 | H10 | 119.4° | 120.0° |
| C6 | C7 | H16 | H17 | 118.7° | 119.9° |
| C6 | C7 | C8 | H18 | 161.6° | 55.0° |
| C6 | N1 | C5 | C2 | 117.6° | 120.5° |
| C6 | N1 | C5 | C4 | 119.5° | 145.8° |
| C6 | N1 | C2 | C1 | 103.9° | 81.9° |
| C6 | N1 | C2 | C3 | 137.5° | 159.7° |
| C6 | N1 | C2 | H2 | 19.6° | 41.2° |
| C6 | N1 | C5 | H7 | 0.1° | 26.5° |
| C6 | N1 | C5 | H8 | 121.1° | 94.8° |
| N1 | C6 | H9 | H10 | 119.4° | 120.0° |
| N1 | C6 | C7 | H16 | 169.2° | 60.0° |
| N1 | C6 | C7 | H17 | 50.0° | 60.0° |
| N1 | C5 | C4 | H7 | 119.3° | 119.3° |
| N1 | C5 | C4 | H8 | 119.4° | 119.4° |
| C5 | N1 | C2 | C1 | 138.4° | 157.6° |
| C5 | N1 | C2 | C3 | 19.9° | 39.2° |
| N1 | C5 | C4 | C3 | 21.9° | 1.2° |
| C5 | N1 | C2 | H2 | 98.1° | 79.3° |
| N1 | C5 | C4 | H5 | 97.3° | 117.7° |
| N1 | C5 | C4 | H6 | 141.2° | 120.2° |
| N1 | C5 | H7 | H8 | 121.8° | 121.2° |
| C5 | N1 | C6 | H9 | 178.0° | 50.1° |
| C5 | N1 | C6 | H10 | 58.4° | 170.2° |
| N1 | C2 | C1 | O1 | 2.6° | 0.0° |
| C2 | N1 | C5 | C4 | 1.9° | 25.3° |
| N1 | C2 | C1 | C3 | 117.1° | 113.9° |
| N1 | C2 | C1 | H2 | 125.0° | 123.1° |
| N1 | C2 | C1 | O2 | 177.7° | 180.0° |
| N1 | C2 | C3 | H2 | 121.1° | 118.4° |
| N1 | C2 | C3 | C4 | 36.3° | 37.4° |
| N1 | C2 | C3 | H3 | 83.0° | 80.9° |
| N1 | C2 | C3 | H4 | 155.6° | 155.9° |
| C2 | N1 | C5 | H7 | 117.5° | 94.0° |
| C2 | N1 | C5 | H8 | 121.3° | 144.7° |
| C2 | N1 | C6 | H9 | 62.6° | 67.3° |
| C2 | N1 | C6 | H10 | 57.0° | 52.8° |
| O1 | C1 | C2 | O2 | 179.7° | 180.0° |
| O1 | C1 | C2 | C3 | 114.5° | 113.9° |
| O1 | C1 | C2 | H2 | 127.6° | 123.1° |
| O1 | C1 | O2 | H21 | 0.0° | 0.1° |
| C5 | C4 | C3 | C2 | 32.3° | 22.0° |
| C5 | C4 | C3 | H5 | 119.3° | 118.9° |
| C5 | C4 | C3 | H6 | 119.2° | 119.1° |
| C5 | C4 | C3 | H3 | 87.0° | 96.3° |
| C5 | C4 | C3 | H4 | 151.6° | 140.4° |
| C5 | C4 | H5 | H6 | 122.2° | 122.2° |
| C4 | C5 | H7 | H8 | 121.9° | 121.2° |
| C1 | C2 | C3 | H2 | 119.4° | 123.1° |
| C1 | C2 | C3 | C4 | 155.8° | 155.9° |
| C1 | C2 | C3 | H3 | 36.5° | 37.5° |
| C1 | C2 | C3 | H4 | 84.9° | 85.6° |
| C2 | C1 | O2 | H21 | 179.7° | 180.0° |
| O2 | C1 | C2 | C3 | 65.3° | 66.2° |
| O2 | C1 | C2 | H2 | 52.7° | 56.9° |
| C2 | C3 | C4 | H3 | 119.3° | 118.3° |
| C2 | C3 | C4 | H4 | 119.3° | 118.5° |
| C2 | C3 | H3 | H4 | 122.0° | 123.2° |
| C2 | C3 | C4 | H5 | 86.9° | 140.8° |
| C2 | C3 | C4 | H6 | 151.6° | 97.1° |
| C4 | C3 | C2 | H2 | 84.8° | 81.0° |
| C4 | C3 | H3 | H4 | 122.0° | 123.3° |
| C3 | C4 | H5 | H6 | 122.2° | 122.1° |
| C3 | C4 | C5 | H7 | 141.3° | 118.1° |
| C3 | C4 | C5 | H8 | 97.4° | 120.6° |
| H2 | C2 | C3 | H3 | 155.9° | 160.6° |
| H2 | C2 | C3 | H4 | 34.5° | 37.5° |
| H3 | C3 | C4 | H5 | 153.8° | 22.5° |
| H3 | C3 | C4 | H6 | 32.3° | 144.6° |
| H4 | C3 | C4 | H5 | 32.4° | 100.7° |
| H4 | C3 | C4 | H6 | 89.1° | 21.4° |
| H5 | C4 | C5 | H7 | 22.0° | 123.0° |
| H5 | C4 | C5 | H8 | 143.3° | 1.7° |
| H6 | C4 | C5 | H7 | 99.5° | 0.9° |
| H6 | C4 | C5 | H8 | 21.8° | 120.4° |
| H9 | C6 | C7 | H16 | 70.6° | 180.0° |
| H9 | C6 | C7 | H17 | 170.2° | 60.1° |
| H10 | C6 | C7 | H16 | 49.0° | 60.0° |
| H10 | C6 | C7 | H17 | 70.2° | 179.9° |
| H11 | C10 | C11 | H13 | 161.0° | 60.0° |
| H11 | C10 | C11 | H14 | 42.0° | 180.0° |
| H11 | C10 | N2 | H19 | 172.5° | 176.0° |
| H12 | C10 | C11 | H13 | 41.3° | 180.0° |
| H12 | C10 | C11 | H14 | 77.8° | 60.0° |
| H12 | C10 | N2 | H19 | 67.7° | 63.9° |
| H13 | C11 | C12 | H15 | 49.3° | 65.0° |
| H14 | C11 | C12 | H15 | 69.8° | 175.0° |
| H15 | C12 | O7 | H24 | 60.5° | 180.0° |
| H16 | C7 | C8 | H18 | 41.2° | 65.0° |
| H17 | C7 | C8 | H18 | 78.0° | 175.0° |
| H18 | C8 | N2 | H19 | 84.1° | 89.0° |
