GOZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C2 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.51Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C4 | N2 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| C7 | N3 | sing | 1.39Å | 1.35Å | |
| C7 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C | C13 | sing | 1.53Å | 1.54Å | |
| N4 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | N5 | sing | 1.39Å | 1.35Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N | H19 | sing | 1.01Å | 1.00Å | |
| N | H20 | sing | 1.01Å | 1.00Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C3 | N2 | 123.3° | 120.0° |
| O | C3 | C2 | 121.1° | 120.0° |
| C11 | C10 | C2 | 104.8° | 102.9° |
| C10 | C11 | C12 | 103.9° | 101.6° |
| C11 | C10 | H6 | 110.6° | 110.7° |
| C11 | C10 | H7 | 110.6° | 110.7° |
| C10 | C11 | H8 | 110.8° | 111.0° |
| C10 | C11 | H9 | 110.8° | 110.9° |
| C10 | C2 | C3 | 111.8° | 110.0° |
| C10 | C2 | N1 | 103.5° | 107.3° |
| C10 | C2 | H1 | 109.2° | 109.9° |
| C2 | C10 | H6 | 110.6° | 110.7° |
| C2 | C10 | H7 | 110.6° | 110.7° |
| C11 | C12 | N1 | 103.1° | 104.8° |
| C12 | C11 | H8 | 110.9° | 111.1° |
| C12 | C11 | H9 | 110.8° | 111.0° |
| C11 | C12 | H10 | 111.0° | 110.3° |
| C11 | C12 | H11 | 111.0° | 110.4° |
| N2 | C3 | C2 | 115.6° | 120.0° |
| C3 | N2 | C4 | 122.9° | 120.0° |
| C3 | N2 | H23 | 118.6° | 120.0° |
| C3 | C2 | N1 | 112.8° | 109.9° |
| C3 | C2 | H1 | 109.3° | 109.8° |
| N2 | C4 | C5 | 112.7° | 109.5° |
| N2 | C4 | H2 | 108.6° | 109.4° |
| N2 | C4 | H3 | 108.7° | 109.5° |
| C4 | N2 | H23 | 118.5° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.7° |
| C4 | C5 | C9 | 120.5° | 120.7° |
| C5 | C4 | H2 | 108.7° | 109.5° |
| C5 | C4 | H3 | 108.7° | 109.5° |
| C12 | N1 | C2 | 112.2° | 108.7° |
| C12 | N1 | C1 | 129.3° | 125.7° |
| N1 | C12 | H10 | 111.0° | 110.3° |
| N1 | C12 | H11 | 111.0° | 110.4° |
| C2 | N1 | C1 | 118.6° | 125.6° |
| N1 | C2 | H1 | 110.1° | 109.9° |
| C5 | C6 | C7 | 118.8° | 119.3° |
| C6 | C5 | C9 | 119.6° | 118.6° |
| C5 | C6 | H5 | 120.6° | 120.4° |
| C6 | C7 | N3 | 121.8° | 119.7° |
| C6 | C7 | N4 | 121.7° | 120.7° |
| C7 | C6 | H5 | 120.6° | 120.4° |
| C5 | C9 | C8 | 118.7° | 119.2° |
| C5 | C9 | H4 | 120.7° | 120.4° |
| N1 | C1 | O1 | 121.4° | 120.0° |
| N1 | C1 | C | 118.9° | 120.0° |
| N3 | C7 | N4 | 116.4° | 119.6° |
| C7 | N3 | H24 | 109.5° | 120.0° |
| C7 | N3 | H25 | 109.5° | 120.0° |
| C7 | N4 | C8 | 119.6° | 121.5° |
| C9 | C8 | N4 | 121.6° | 120.8° |
| C9 | C8 | N5 | 122.0° | 119.6° |
| C8 | C9 | H4 | 120.6° | 120.4° |
| O1 | C1 | C | 119.6° | 120.0° |
| C1 | C | N | 109.3° | 109.5° |
| C1 | C | C13 | 111.4° | 109.5° |
| C1 | C | H22 | 108.2° | 109.5° |
| N | C | C13 | 110.9° | 109.5° |
| C | N | H19 | 109.5° | 111.0° |
| C | N | H20 | 109.5° | 111.0° |
| N | C | H22 | 108.9° | 109.4° |
| C | C13 | C14 | 114.2° | 109.4° |
| C | C13 | H12 | 108.3° | 109.4° |
| C | C13 | H13 | 108.3° | 109.5° |
| C13 | C | H22 | 108.0° | 109.5° |
| N4 | C8 | N5 | 116.4° | 119.6° |
| C8 | N5 | H26 | 109.5° | 120.0° |
| C8 | N5 | H27 | 109.5° | 120.0° |
| C18 | C19 | C14 | 120.7° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.0° |
| C19 | C18 | H17 | 119.8° | 120.0° |
| C18 | C19 | H18 | 119.7° | 120.0° |
| C19 | C14 | C13 | 120.7° | 120.0° |
| C19 | C14 | C15 | 118.5° | 120.1° |
| C14 | C19 | H18 | 119.6° | 120.0° |
| C18 | C17 | C16 | 119.6° | 120.0° |
| C18 | C17 | H16 | 120.2° | 120.0° |
| C17 | C18 | H17 | 119.9° | 120.0° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C14 | C13 | H12 | 108.2° | 109.5° |
| C14 | C13 | H13 | 108.3° | 109.5° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | H14 | 119.7° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C17 | C16 | H15 | 119.9° | 120.1° |
| C16 | C17 | H16 | 120.2° | 120.0° |
| C16 | C15 | H14 | 119.7° | 120.0° |
| C15 | C16 | H15 | 119.8° | 119.9° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 110.8° |
| H8 | C11 | H9 | 109.5° | 110.9° |
| H10 | C12 | H11 | 109.5° | 110.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H19 | N | H20 | 109.5° | 111.0° |
| H24 | N3 | H25 | 109.4° | 120.0° |
| H26 | N5 | H27 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C3 | C2 | C10 | 69.6° | 117.9° |
| O | C3 | N2 | C2 | 179.7° | 179.9° |
| O | C3 | N2 | C4 | 1.5° | 0.1° |
| O | C3 | C2 | N1 | 46.6° | 0.1° |
| O | C3 | C2 | H1 | 169.4° | 121.0° |
| O | C3 | N2 | H23 | 178.5° | 179.9° |
| C11 | C10 | C2 | H6 | 119.3° | 118.4° |
| C11 | C10 | C2 | H7 | 119.2° | 118.3° |
| C10 | C11 | C12 | H8 | 119.1° | 118.1° |
| C10 | C11 | C12 | H9 | 119.1° | 118.0° |
| C11 | C10 | C2 | C3 | 143.9° | 141.7° |
| C10 | C11 | C12 | N1 | 33.3° | 37.0° |
| C11 | C10 | C2 | N1 | 22.2° | 22.2° |
| C11 | C10 | C2 | H1 | 95.0° | 97.3° |
| C11 | C10 | H6 | H7 | 122.2° | 123.3° |
| C10 | C11 | H8 | H9 | 122.6° | 123.8° |
| C10 | C11 | C12 | H10 | 85.7° | 81.8° |
| C10 | C11 | C12 | H11 | 152.3° | 155.9° |
| C2 | C10 | C11 | C12 | 34.8° | 35.5° |
| C10 | C2 | C3 | N2 | 110.7° | 62.1° |
| C10 | C2 | C3 | N1 | 116.1° | 117.9° |
| C10 | C2 | C3 | H1 | 121.0° | 121.1° |
| C10 | C2 | N1 | C12 | 1.2° | 1.0° |
| C10 | C2 | N1 | H1 | 116.6° | 119.5° |
| C10 | C2 | N1 | C1 | 178.2° | 178.9° |
| C2 | C10 | H6 | H7 | 122.2° | 123.2° |
| C2 | C10 | C11 | H8 | 153.9° | 153.6° |
| C2 | C10 | C11 | H9 | 84.3° | 82.5° |
| C11 | C12 | N1 | H10 | 119.0° | 118.8° |
| C11 | C12 | N1 | H11 | 119.0° | 118.9° |
| C11 | C12 | N1 | C2 | 20.2° | 24.1° |
| C11 | C12 | N1 | C1 | 160.5° | 155.9° |
| C12 | C11 | C10 | H6 | 154.0° | 82.9° |
| C12 | C11 | C10 | H7 | 84.5° | 153.8° |
| C12 | C11 | H8 | H9 | 122.6° | 123.9° |
| C11 | C12 | H10 | H11 | 123.0° | 122.3° |
| C3 | N2 | C4 | H23 | 180.0° | 180.0° |
| C3 | N2 | C4 | C5 | 87.0° | 180.0° |
| N2 | C3 | C2 | N1 | 133.2° | 180.0° |
| N2 | C3 | C2 | H1 | 10.3° | 59.0° |
| C3 | N2 | C4 | H2 | 152.5° | 60.0° |
| C3 | N2 | C4 | H3 | 33.5° | 60.0° |
| C2 | C3 | N2 | C4 | 178.2° | 180.0° |
| C3 | C2 | N1 | C12 | 122.2° | 118.5° |
| C3 | C2 | N1 | H1 | 122.4° | 121.0° |
| C3 | C2 | N1 | C1 | 57.1° | 61.5° |
| C3 | C2 | C10 | H6 | 96.9° | 23.3° |
| C3 | C2 | C10 | H7 | 24.6° | 100.0° |
| C2 | C3 | N2 | H23 | 1.8° | 0.0° |
| N2 | C4 | C5 | H2 | 120.5° | 120.0° |
| N2 | C4 | C5 | H3 | 120.5° | 120.0° |
| N2 | C4 | C5 | C6 | 76.8° | 90.2° |
| N2 | C4 | C5 | C9 | 103.1° | 90.0° |
| N2 | C4 | H2 | H3 | 118.5° | 120.0° |
| C4 | C5 | C6 | C9 | 179.9° | 179.8° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C9 | C8 | 179.8° | 180.0° |
| C5 | C4 | H2 | H3 | 118.6° | 120.0° |
| C4 | C5 | C9 | H4 | 0.2° | 0.1° |
| C4 | C5 | C6 | H5 | 0.1° | 0.0° |
| C5 | C4 | N2 | H23 | 93.0° | 0.0° |
| C12 | N1 | C2 | C1 | 179.4° | 180.0° |
| C12 | N1 | C1 | O1 | 179.5° | 180.0° |
| C12 | N1 | C1 | C | 1.1° | 0.3° |
| C12 | N1 | C2 | H1 | 115.4° | 120.5° |
| N1 | C12 | C11 | H8 | 152.4° | 155.1° |
| N1 | C12 | C11 | H9 | 85.8° | 81.0° |
| N1 | C12 | H10 | H11 | 123.0° | 122.3° |
| C2 | N1 | C1 | O1 | 1.3° | 0.0° |
| C2 | N1 | C1 | C | 178.1° | 179.7° |
| N1 | C2 | C10 | H6 | 141.4° | 96.2° |
| N1 | C2 | C10 | H7 | 97.1° | 140.5° |
| C2 | N1 | C12 | H10 | 98.7° | 94.7° |
| C2 | N1 | C12 | H11 | 139.2° | 143.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | N3 | 178.1° | 180.0° |
| C5 | C6 | C7 | N4 | 0.5° | 0.0° |
| C6 | C5 | C9 | C8 | 0.3° | 0.2° |
| C6 | C5 | C4 | H2 | 162.7° | 29.7° |
| C6 | C5 | C4 | H3 | 43.7° | 149.7° |
| C6 | C5 | C9 | H4 | 179.7° | 179.7° |
| C7 | C6 | C5 | C9 | 0.0° | 0.3° |
| C6 | C7 | N3 | N4 | 178.7° | 180.0° |
| C6 | C7 | N4 | C8 | 0.7° | 0.3° |
| C6 | C7 | N3 | H24 | 178.7° | 0.0° |
| C6 | C7 | N3 | H25 | 61.4° | 180.0° |
| C5 | C9 | C8 | H4 | 180.0° | 179.9° |
| C5 | C9 | C8 | N4 | 0.0° | 0.0° |
| C5 | C9 | C8 | N5 | 179.1° | 180.0° |
| C9 | C5 | C4 | H2 | 17.3° | 150.0° |
| C9 | C5 | C4 | H3 | 136.4° | 30.0° |
| C9 | C5 | C6 | H5 | 180.0° | 179.8° |
| N1 | C1 | O1 | C | 179.4° | 179.7° |
| N1 | C1 | C | N | 124.2° | 159.7° |
| N1 | C1 | C | C13 | 112.9° | 80.3° |
| C1 | N1 | C2 | H1 | 65.2° | 59.4° |
| C1 | N1 | C12 | H10 | 80.5° | 85.3° |
| C1 | N1 | C12 | H11 | 41.5° | 37.0° |
| N1 | C1 | C | H22 | 5.8° | 39.7° |
| N3 | C7 | N4 | C8 | 177.9° | 179.8° |
| N3 | C7 | C6 | H5 | 1.9° | 0.0° |
| C7 | N3 | H24 | H25 | 120.0° | 179.9° |
| C7 | N4 | C8 | C9 | 0.5° | 0.3° |
| C7 | N4 | C8 | N5 | 178.7° | 179.7° |
| N4 | C7 | C6 | H5 | 179.5° | 180.0° |
| N4 | C7 | N3 | H24 | 0.0° | 180.0° |
| N4 | C7 | N3 | H25 | 120.0° | 0.0° |
| C9 | C8 | N4 | N5 | 179.1° | 180.0° |
| C9 | C8 | N5 | H26 | 179.1° | 0.1° |
| C9 | C8 | N5 | H27 | 59.1° | 179.9° |
| O1 | C1 | C | N | 55.2° | 20.0° |
| O1 | C1 | C | C13 | 67.7° | 100.0° |
| O1 | C1 | C | H22 | 173.7° | 140.0° |
| C1 | C | N | C13 | 123.2° | 120.0° |
| C1 | C | N | H22 | 118.0° | 120.0° |
| C1 | C | C13 | H22 | 118.8° | 120.0° |
| C1 | C | C13 | C14 | 66.6° | 175.0° |
| C1 | C | C13 | H12 | 54.0° | 65.0° |
| C1 | C | C13 | H13 | 172.7° | 55.0° |
| C1 | C | N | H19 | 180.0° | 60.0° |
| C1 | C | N | H20 | 60.0° | 64.0° |
| N | C | C13 | H22 | 119.3° | 120.0° |
| N | C | C13 | C14 | 171.4° | 65.0° |
| N | C | C13 | H12 | 67.9° | 55.0° |
| N | C | C13 | H13 | 50.7° | 175.0° |
| C | N | H19 | H20 | 120.0° | 123.9° |
| C | C13 | C14 | C19 | 59.8° | 90.3° |
| C | C13 | C14 | H12 | 120.7° | 119.9° |
| C | C13 | C14 | H13 | 120.7° | 120.0° |
| C | C13 | C14 | C15 | 121.0° | 90.1° |
| C | C13 | H12 | H13 | 117.9° | 120.0° |
| C13 | C | N | H19 | 56.8° | 60.0° |
| C13 | C | N | H20 | 63.2° | 176.0° |
| N4 | C8 | C9 | H4 | 180.0° | 180.0° |
| N4 | C8 | N5 | H26 | 0.0° | 179.9° |
| N4 | C8 | N5 | H27 | 120.0° | 0.1° |
| N5 | C8 | C9 | H4 | 0.9° | 0.0° |
| C8 | N5 | H26 | H27 | 120.0° | 179.8° |
| C18 | C19 | C14 | H18 | 180.0° | 179.4° |
| C19 | C18 | C17 | H17 | 180.0° | 179.8° |
| C18 | C19 | C14 | C13 | 178.9° | 179.8° |
| C18 | C19 | C14 | C15 | 0.3° | 0.6° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C19 | C18 | C17 | H16 | 179.9° | 179.8° |
| C14 | C19 | C18 | C17 | 0.1° | 0.5° |
| C19 | C14 | C13 | C15 | 179.2° | 179.7° |
| C19 | C14 | C15 | C16 | 0.3° | 0.3° |
| C19 | C14 | C13 | H12 | 179.5° | 29.7° |
| C19 | C14 | C13 | H13 | 60.9° | 149.7° |
| C19 | C14 | C15 | H14 | 179.8° | 179.8° |
| C14 | C19 | C18 | H17 | 179.9° | 179.7° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H15 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 178.9° | 180.0° |
| C14 | C13 | H12 | H13 | 117.8° | 120.0° |
| C13 | C14 | C15 | H14 | 1.0° | 0.1° |
| C13 | C14 | C19 | H18 | 1.1° | 0.3° |
| C14 | C13 | C | H22 | 52.1° | 55.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | H12 | 0.3° | 150.0° |
| C15 | C14 | C13 | H13 | 118.3° | 30.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C19 | H18 | 179.7° | 180.0° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | H17 | 179.9° | 180.0° |
| C15 | C16 | C17 | H16 | 179.9° | 179.9° |
| H1 | C2 | C10 | H6 | 24.2° | 144.3° |
| H1 | C2 | C10 | H7 | 145.7° | 21.1° |
| H2 | C4 | N2 | H23 | 27.5° | 120.0° |
| H3 | C4 | N2 | H23 | 146.5° | 120.0° |
| H6 | C10 | C11 | H8 | 86.8° | 35.3° |
| H6 | C10 | C11 | H9 | 34.9° | 159.1° |
| H7 | C10 | C11 | H8 | 34.7° | 88.1° |
| H7 | C10 | C11 | H9 | 156.4° | 35.8° |
| H8 | C11 | C12 | H10 | 33.4° | 36.3° |
| H8 | C11 | C12 | H11 | 88.7° | 86.0° |
| H9 | C11 | C12 | H10 | 155.2° | 160.2° |
| H9 | C11 | C12 | H11 | 33.1° | 37.9° |
| H12 | C13 | C | H22 | 172.8° | 175.0° |
| H13 | C13 | C | H22 | 68.6° | 65.0° |
| H14 | C15 | C16 | H15 | 0.0° | 0.1° |
| H15 | C16 | C17 | H16 | 0.1° | 0.0° |
| H16 | C17 | C18 | H17 | 0.1° | 0.0° |
| H17 | C18 | C19 | H18 | 0.1° | 0.2° |
| H19 | N | C | H22 | 62.0° | 180.0° |
| H20 | N | C | H22 | 178.0° | 56.0° |
