ZMB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C9 | sing | 1.43Å | 1.43Å | |
| O7 | C10 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C8 | O5 | sing | 1.43Å | 1.43Å | |
| C7 | O4 | sing | 1.43Å | 1.44Å | |
| C11 | N1 | sing | 1.47Å | 1.45Å | |
| C11 | C6 | sing | 1.53Å | 1.54Å | |
| O4 | C6 | sing | 1.43Å | 1.42Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| C6 | O3 | sing | 1.43Å | 1.40Å | |
| C12 | O8 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| O3 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C2 | O1 | sing | 1.34Å | 1.33Å | |
| O1 | C1 | sing | 1.45Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å | |
| O6 | H22 | sing | 0.97Å | 0.95Å | |
| O7 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C9 | C10 | 111.1° | 109.5° |
| O6 | C9 | C7 | 107.8° | 109.5° |
| O6 | C9 | H19 | 110.1° | 109.6° |
| C9 | O6 | H22 | 109.5° | 114.0° |
| O7 | C10 | C9 | 111.3° | 109.6° |
| O7 | C10 | C11 | 111.2° | 109.6° |
| O7 | C10 | H4 | 108.7° | 109.5° |
| C10 | O7 | H23 | 109.5° | 114.0° |
| C10 | C9 | C7 | 110.5° | 109.2° |
| C9 | C10 | C11 | 110.6° | 109.0° |
| C9 | C10 | H4 | 107.4° | 109.5° |
| C10 | C9 | H19 | 108.7° | 109.5° |
| C9 | C7 | C8 | 112.1° | 109.5° |
| C9 | C7 | O4 | 109.4° | 109.4° |
| C9 | C7 | H16 | 109.0° | 109.5° |
| C7 | C9 | H19 | 108.7° | 109.5° |
| C10 | C11 | N1 | 112.4° | 109.5° |
| C10 | C11 | C6 | 108.8° | 109.2° |
| C11 | C10 | H4 | 107.4° | 109.5° |
| C10 | C11 | H5 | 107.9° | 109.5° |
| C7 | C8 | O5 | 112.2° | 109.5° |
| C8 | C7 | O4 | 106.9° | 109.5° |
| C8 | C7 | H16 | 109.3° | 109.5° |
| C7 | C8 | H17 | 108.8° | 109.5° |
| C7 | C8 | H18 | 108.8° | 109.5° |
| O5 | C8 | H17 | 108.8° | 109.4° |
| O5 | C8 | H18 | 108.8° | 109.5° |
| C8 | O5 | H21 | 109.5° | 114.0° |
| C7 | O4 | C6 | 112.4° | 114.2° |
| O4 | C7 | H16 | 110.2° | 109.5° |
| N1 | C11 | C6 | 111.0° | 109.5° |
| C11 | N1 | C12 | 126.8° | 120.0° |
| N1 | C11 | H5 | 108.8° | 109.5° |
| C11 | N1 | H20 | 116.6° | 120.0° |
| C11 | C6 | O4 | 110.3° | 109.4° |
| C11 | C6 | O3 | 108.1° | 109.5° |
| C6 | C11 | H5 | 107.8° | 109.6° |
| C11 | C6 | H15 | 108.3° | 109.5° |
| O4 | C6 | O3 | 110.2° | 109.5° |
| O4 | C6 | H15 | 109.8° | 109.4° |
| N1 | C12 | O8 | 122.2° | 120.0° |
| N1 | C12 | C13 | 116.4° | 120.0° |
| C12 | N1 | H20 | 116.6° | 120.0° |
| C6 | O3 | C5 | 114.9° | 114.0° |
| O3 | C6 | H15 | 110.2° | 109.5° |
| O8 | C12 | C13 | 121.4° | 120.0° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.5° | 109.4° |
| C12 | C13 | H8 | 109.5° | 109.4° |
| O3 | C5 | C3 | 107.9° | 109.5° |
| O3 | C5 | H13 | 109.8° | 109.5° |
| O3 | C5 | H14 | 109.9° | 109.5° |
| C5 | C3 | C4 | 112.2° | 109.5° |
| C5 | C3 | C2 | 113.9° | 109.5° |
| C5 | C3 | H9 | 107.2° | 109.4° |
| C3 | C5 | H13 | 109.9° | 109.4° |
| C3 | C5 | H14 | 109.8° | 109.5° |
| C4 | C3 | C2 | 108.9° | 109.5° |
| C4 | C3 | H9 | 107.2° | 109.5° |
| C3 | C4 | H10 | 109.5° | 109.5° |
| C3 | C4 | H11 | 109.5° | 109.5° |
| C3 | C4 | H12 | 109.5° | 109.4° |
| C3 | C2 | O2 | 123.2° | 120.0° |
| C3 | C2 | O1 | 112.7° | 120.0° |
| C2 | C3 | H9 | 107.1° | 109.5° |
| O2 | C2 | O1 | 124.1° | 120.0° |
| C2 | O1 | C1 | 116.4° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.4° |
| H10 | C4 | H11 | 109.5° | 109.5° |
| H10 | C4 | H12 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H17 | C8 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C9 | C10 | O7 | 62.7° | 63.2° |
| O6 | C9 | C10 | C7 | 119.6° | 119.9° |
| O6 | C9 | C10 | H19 | 121.2° | 120.2° |
| O6 | C9 | C7 | H19 | 119.3° | 120.2° |
| O6 | C9 | C10 | C11 | 173.1° | 176.8° |
| O6 | C9 | C7 | C8 | 64.1° | 62.5° |
| O6 | C9 | C7 | O4 | 177.6° | 177.5° |
| O6 | C9 | C10 | H4 | 56.2° | 57.0° |
| O6 | C9 | C7 | H16 | 57.0° | 57.6° |
| O7 | C10 | C9 | C11 | 124.2° | 120.0° |
| O7 | C10 | C9 | H4 | 118.9° | 120.2° |
| O7 | C10 | C9 | C7 | 177.7° | 176.9° |
| O7 | C10 | C11 | H4 | 118.9° | 120.2° |
| O7 | C10 | C11 | N1 | 59.0° | 63.1° |
| O7 | C10 | C11 | C6 | 177.6° | 176.9° |
| O7 | C10 | C11 | H5 | 61.0° | 56.9° |
| O7 | C10 | C9 | H19 | 58.5° | 57.0° |
| C10 | C9 | C7 | H19 | 119.2° | 119.9° |
| C9 | C10 | C11 | H4 | 116.9° | 119.8° |
| C10 | C9 | C7 | C8 | 174.4° | 177.6° |
| C10 | C9 | C7 | O4 | 56.0° | 57.6° |
| C9 | C10 | C11 | N1 | 176.7° | 176.9° |
| C9 | C10 | C11 | C6 | 53.4° | 56.9° |
| C9 | C10 | C11 | H5 | 63.3° | 63.1° |
| C10 | C9 | C7 | H16 | 64.6° | 62.4° |
| C10 | C9 | O6 | H22 | 180.0° | 179.9° |
| C9 | C10 | O7 | H23 | 180.0° | 60.4° |
| C7 | C9 | C10 | C11 | 53.5° | 56.9° |
| C9 | C7 | C8 | O4 | 119.8° | 119.9° |
| C9 | C7 | C8 | H16 | 121.0° | 120.0° |
| C9 | C7 | C8 | O5 | 178.8° | 175.0° |
| C9 | C7 | O4 | H16 | 119.9° | 119.9° |
| C9 | C7 | O4 | C6 | 62.1° | 61.1° |
| C7 | C9 | C10 | H4 | 63.4° | 62.9° |
| C9 | C7 | C8 | H17 | 58.4° | 55.1° |
| C9 | C7 | C8 | H18 | 60.8° | 65.0° |
| C7 | C9 | O6 | H22 | 58.8° | 60.4° |
| C10 | C11 | N1 | C6 | 122.1° | 119.7° |
| C10 | C11 | N1 | H5 | 119.5° | 120.1° |
| C10 | C11 | C6 | H5 | 116.7° | 119.9° |
| C10 | C11 | C6 | O4 | 57.9° | 57.5° |
| C10 | C11 | N1 | C12 | 125.4° | 154.9° |
| C10 | C11 | C6 | O3 | 178.5° | 177.6° |
| C10 | C11 | C6 | H15 | 62.2° | 62.4° |
| C11 | C10 | C9 | H19 | 65.7° | 63.0° |
| C10 | C11 | N1 | H20 | 54.5° | 25.0° |
| C11 | C10 | O7 | H23 | 56.2° | 180.0° |
| C7 | C8 | O5 | H17 | 120.4° | 120.0° |
| C7 | C8 | O5 | H18 | 120.4° | 120.0° |
| C8 | C7 | O4 | H16 | 118.6° | 120.1° |
| C8 | C7 | O4 | C6 | 176.4° | 178.9° |
| C7 | C8 | H17 | H18 | 118.8° | 120.0° |
| C8 | C7 | C9 | H19 | 55.2° | 57.7° |
| C7 | C8 | O5 | H21 | 180.0° | 180.0° |
| O5 | C8 | C7 | O4 | 61.4° | 65.0° |
| O5 | C8 | C7 | H16 | 57.9° | 55.0° |
| O5 | C8 | H17 | H18 | 118.7° | 120.0° |
| C7 | O4 | C6 | C11 | 63.6° | 61.1° |
| C7 | O4 | C6 | O3 | 177.1° | 178.9° |
| C7 | O4 | C6 | H15 | 55.6° | 58.8° |
| O4 | C7 | C8 | H17 | 178.2° | 175.0° |
| O4 | C7 | C8 | H18 | 59.0° | 55.0° |
| O4 | C7 | C9 | H19 | 63.1° | 62.4° |
| N1 | C11 | C6 | H5 | 119.1° | 120.1° |
| N1 | C11 | C6 | O4 | 177.9° | 177.5° |
| C11 | N1 | C12 | H20 | 180.0° | 180.0° |
| N1 | C11 | C6 | O3 | 57.3° | 62.5° |
| C11 | N1 | C12 | O8 | 4.5° | 0.0° |
| C11 | N1 | C12 | C13 | 175.2° | 180.0° |
| N1 | C11 | C10 | H4 | 59.8° | 57.0° |
| N1 | C11 | C6 | H15 | 62.0° | 57.6° |
| C11 | C6 | O4 | O3 | 119.3° | 120.0° |
| C11 | C6 | O4 | H15 | 119.2° | 119.9° |
| C6 | C11 | N1 | C12 | 112.5° | 85.3° |
| C11 | C6 | O3 | H15 | 118.1° | 120.0° |
| C11 | C6 | O3 | C5 | 157.1° | 175.0° |
| C6 | C11 | C10 | H4 | 63.5° | 62.9° |
| C6 | C11 | N1 | H20 | 67.5° | 94.7° |
| O4 | C6 | O3 | H15 | 121.3° | 120.0° |
| O4 | C6 | O3 | C5 | 82.2° | 65.1° |
| O4 | C6 | C11 | H5 | 58.8° | 62.4° |
| C6 | O4 | C7 | H16 | 57.8° | 58.8° |
| N1 | C12 | O8 | C13 | 179.7° | 180.0° |
| C12 | N1 | C11 | H5 | 6.0° | 34.9° |
| N1 | C12 | C13 | H6 | 179.7° | 90.0° |
| N1 | C12 | C13 | H7 | 60.3° | 30.0° |
| N1 | C12 | C13 | H8 | 59.7° | 149.9° |
| C6 | O3 | C5 | C3 | 127.4° | 180.0° |
| O3 | C6 | C11 | H5 | 61.7° | 57.6° |
| C6 | O3 | C5 | H13 | 7.6° | 60.1° |
| C6 | O3 | C5 | H14 | 112.9° | 60.0° |
| O8 | C12 | C13 | H6 | 0.0° | 90.0° |
| O8 | C12 | C13 | H7 | 120.0° | 150.0° |
| O8 | C12 | C13 | H8 | 120.0° | 30.0° |
| O8 | C12 | N1 | H20 | 175.5° | 180.0° |
| C12 | C13 | H6 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H8 | 120.0° | 119.9° |
| C13 | C12 | N1 | H20 | 4.8° | 0.0° |
| O3 | C5 | C3 | H13 | 119.7° | 119.9° |
| O3 | C5 | C3 | H14 | 119.7° | 120.0° |
| O3 | C5 | C3 | C4 | 84.2° | 64.9° |
| O3 | C5 | C3 | C2 | 40.1° | 175.0° |
| O3 | C5 | C3 | H9 | 158.4° | 55.0° |
| O3 | C5 | H13 | H14 | 120.7° | 120.1° |
| C5 | O3 | C6 | H15 | 39.0° | 54.9° |
| C5 | C3 | C4 | C2 | 127.0° | 120.1° |
| C5 | C3 | C4 | H9 | 117.5° | 119.9° |
| C5 | C3 | C2 | H9 | 118.3° | 119.9° |
| C5 | C3 | C2 | O2 | 141.1° | 0.1° |
| C5 | C3 | C2 | O1 | 38.4° | 180.0° |
| C5 | C3 | C4 | H10 | 180.0° | 59.9° |
| C5 | C3 | C4 | H11 | 60.0° | 180.0° |
| C5 | C3 | C4 | H12 | 60.0° | 60.0° |
| C3 | C5 | H13 | H14 | 120.7° | 120.0° |
| C4 | C3 | C2 | H9 | 115.6° | 120.0° |
| C4 | C3 | C2 | O2 | 15.0° | 120.0° |
| C4 | C3 | C2 | O1 | 164.5° | 59.9° |
| C3 | C4 | H10 | H11 | 120.0° | 120.0° |
| C3 | C4 | H10 | H12 | 120.0° | 119.9° |
| C3 | C4 | H11 | H12 | 120.0° | 119.9° |
| C4 | C3 | C5 | H13 | 35.6° | 55.0° |
| C4 | C3 | C5 | H14 | 156.1° | 175.0° |
| C3 | C2 | O2 | O1 | 179.5° | 179.9° |
| C3 | C2 | O1 | C1 | 172.2° | 180.0° |
| C2 | C3 | C4 | H10 | 53.0° | 180.0° |
| C2 | C3 | C4 | H11 | 67.0° | 59.9° |
| C2 | C3 | C4 | H12 | 173.0° | 60.0° |
| C2 | C3 | C5 | H13 | 159.9° | 65.1° |
| C2 | C3 | C5 | H14 | 79.6° | 55.0° |
| O2 | C2 | O1 | C1 | 7.4° | 0.0° |
| O2 | C2 | C3 | H9 | 100.5° | 120.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H9 | 79.9° | 60.1° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | C11 | H5 | 179.8° | 177.1° |
| H4 | C10 | C9 | H19 | 177.4° | 177.2° |
| H4 | C10 | O7 | H23 | 61.9° | 59.8° |
| H5 | C11 | C6 | H15 | 178.9° | 177.7° |
| H5 | C11 | N1 | H20 | 174.0° | 145.1° |
| H6 | C13 | H7 | H8 | 120.0° | 120.1° |
| H9 | C3 | C4 | H10 | 62.6° | 60.0° |
| H9 | C3 | C4 | H11 | 177.4° | 60.1° |
| H9 | C3 | C4 | H12 | 57.4° | 179.9° |
| H9 | C3 | C5 | H13 | 81.9° | 175.0° |
| H9 | C3 | C5 | H14 | 38.7° | 65.0° |
| H10 | C4 | H11 | H12 | 120.0° | 120.0° |
| H16 | C7 | C8 | H17 | 62.5° | 65.0° |
| H16 | C7 | C8 | H18 | 178.3° | 175.0° |
| H16 | C7 | C9 | H19 | 176.3° | 177.7° |
| H17 | C8 | O5 | H21 | 59.5° | 60.0° |
| H18 | C8 | O5 | H21 | 59.6° | 60.0° |
| H19 | C9 | O6 | H22 | 59.6° | 59.8° |
