7C5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C14 | sing | 1.38Å | 1.43Å | |
| O1 | C4 | doub | 1.22Å | 1.21Å | |
| N6 | C12 | sing | 1.35Å | 1.36Å | Aromatic |
| N6 | C15 | doub | 1.30Å | 1.34Å | Aromatic |
| C14 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N7 | sing | 1.34Å | 1.37Å | |
| C4 | C3 | sing | 1.48Å | 1.37Å | |
| C12 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| N7 | C1 | doub | 1.32Å | 1.36Å | |
| C15 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| N4 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| O6 | C17 | doub | 1.21Å | 1.23Å | |
| N10 | C3 | sing | 1.32Å | 1.30Å | Aromatic |
| N10 | C6 | doub | 1.33Å | 1.30Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | N2 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C8 | sing | 1.46Å | 1.44Å | |
| C1 | N1 | sing | 1.37Å | 1.26Å | |
| C1 | N8 | sing | 1.36Å | 1.29Å | |
| C13 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C6 | sing | 1.48Å | 1.38Å | |
| C17 | O5 | sing | 1.35Å | 1.36Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N8 | sing | 1.38Å | 1.29Å | |
| C2 | N9 | sing | 1.33Å | 1.30Å | Aromatic |
| O4 | C8 | sing | 1.44Å | 1.40Å | |
| O4 | C16 | sing | 1.44Å | 1.45Å | |
| C8 | C9 | sing | 1.55Å | 1.49Å | |
| C7 | O5 | sing | 1.45Å | 1.38Å | |
| C7 | C16 | sing | 1.53Å | 1.46Å | |
| C9 | C10 | sing | 1.55Å | 1.46Å | |
| C9 | O3 | sing | 1.43Å | 1.35Å | |
| C5 | N9 | doub | 1.32Å | 1.30Å | Aromatic |
| C16 | C10 | sing | 1.54Å | 1.48Å | |
| C10 | O2 | sing | 1.43Å | 1.35Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| N8 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C14 | C12 | 120.4° | 120.8° |
| N5 | C14 | N4 | 119.9° | 120.7° |
| C14 | N5 | H13 | 109.5° | 119.9° |
| C14 | N5 | H14 | 109.5° | 120.0° |
| O1 | C4 | N7 | 120.2° | 120.8° |
| O1 | C4 | C3 | 120.3° | 120.8° |
| C12 | N6 | C15 | 110.3° | 109.4° |
| N6 | C12 | C14 | 134.7° | 134.7° |
| N6 | C12 | C11 | 106.9° | 107.2° |
| N6 | C15 | N2 | 108.3° | 109.9° |
| N6 | C15 | H9 | 125.8° | 125.0° |
| C12 | C14 | N4 | 119.7° | 118.5° |
| C14 | C12 | C11 | 118.4° | 118.2° |
| C14 | N4 | C13 | 120.5° | 121.2° |
| N7 | C4 | C3 | 119.6° | 118.4° |
| C4 | N7 | C1 | 118.5° | 121.6° |
| C4 | C3 | N10 | 122.0° | 121.8° |
| C4 | C3 | C2 | 117.6° | 118.0° |
| C12 | C11 | N2 | 106.2° | 106.0° |
| C12 | C11 | N3 | 119.1° | 119.1° |
| N7 | C1 | N1 | 119.0° | 118.4° |
| N7 | C1 | N8 | 121.6° | 123.1° |
| C15 | N2 | C11 | 108.3° | 107.5° |
| C15 | N2 | C8 | 127.0° | 126.2° |
| N2 | C15 | H9 | 125.8° | 125.0° |
| N4 | C13 | N3 | 121.2° | 122.4° |
| N4 | C13 | H8 | 119.4° | 118.8° |
| O6 | C17 | C6 | 119.9° | 120.0° |
| O6 | C17 | O5 | 120.0° | 120.0° |
| C3 | N10 | C6 | 120.2° | 119.5° |
| N10 | C3 | C2 | 120.3° | 120.2° |
| N10 | C6 | C17 | 120.2° | 119.9° |
| N10 | C6 | C5 | 119.3° | 120.2° |
| C3 | C2 | N8 | 120.4° | 118.4° |
| C3 | C2 | N9 | 119.7° | 119.9° |
| N2 | C11 | N3 | 134.7° | 134.9° |
| C11 | N2 | C8 | 124.7° | 126.3° |
| C11 | N3 | C13 | 121.2° | 120.6° |
| N2 | C8 | O4 | 112.2° | 110.8° |
| N2 | C8 | C9 | 112.5° | 110.6° |
| N2 | C8 | H6 | 109.1° | 110.6° |
| N1 | C1 | N8 | 119.4° | 118.5° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C1 | N8 | C2 | 122.3° | 120.5° |
| C1 | N8 | H15 | 118.9° | 119.8° |
| N3 | C13 | H8 | 119.4° | 118.8° |
| C6 | C17 | O5 | 120.1° | 120.0° |
| C17 | C6 | C5 | 120.5° | 119.9° |
| C17 | O5 | C7 | 119.7° | 117.0° |
| C6 | C5 | N9 | 121.2° | 120.4° |
| C6 | C5 | H3 | 119.4° | 119.8° |
| N8 | C2 | N9 | 119.9° | 121.7° |
| C2 | N8 | H15 | 118.8° | 119.7° |
| C2 | N9 | C5 | 119.4° | 119.7° |
| C8 | O4 | C16 | 106.0° | 107.0° |
| O4 | C8 | C9 | 105.0° | 103.5° |
| O4 | C8 | H6 | 109.6° | 110.6° |
| O4 | C16 | C7 | 109.9° | 109.9° |
| O4 | C16 | C10 | 106.5° | 107.3° |
| O4 | C16 | H16 | 110.1° | 110.0° |
| C8 | C9 | C10 | 105.0° | 102.1° |
| C8 | C9 | O3 | 109.8° | 110.9° |
| C9 | C8 | H6 | 108.4° | 110.6° |
| C8 | C9 | H10 | 109.9° | 110.9° |
| O5 | C7 | C16 | 117.8° | 109.5° |
| O5 | C7 | H4 | 107.3° | 109.5° |
| O5 | C7 | H5 | 107.3° | 109.5° |
| C7 | C16 | C10 | 110.5° | 109.9° |
| C16 | C7 | H4 | 107.3° | 109.5° |
| C16 | C7 | H5 | 107.4° | 109.4° |
| C7 | C16 | H16 | 110.1° | 109.9° |
| C10 | C9 | O3 | 109.5° | 110.9° |
| C9 | C10 | C16 | 105.9° | 104.2° |
| C9 | C10 | O2 | 109.2° | 110.5° |
| C9 | C10 | H7 | 110.3° | 110.4° |
| C10 | C9 | H10 | 110.3° | 110.9° |
| O3 | C9 | H10 | 112.0° | 110.8° |
| C9 | O3 | H12 | 109.5° | 114.0° |
| N9 | C5 | H3 | 119.4° | 119.8° |
| C16 | C10 | O2 | 109.4° | 110.5° |
| C16 | C10 | H7 | 110.0° | 110.6° |
| C10 | C16 | H16 | 109.7° | 109.8° |
| O2 | C10 | H7 | 111.9° | 110.5° |
| C10 | O2 | H11 | 109.5° | 114.0° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H13 | N5 | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C14 | C12 | N6 | 0.1° | 0.1° |
| N5 | C14 | C12 | N4 | 179.9° | 180.0° |
| N5 | C14 | C12 | C11 | 179.9° | 180.0° |
| N5 | C14 | N4 | C13 | 179.9° | 180.0° |
| C14 | N5 | H13 | H14 | 120.0° | 179.9° |
| O1 | C4 | N7 | C3 | 180.0° | 179.8° |
| O1 | C4 | N7 | C1 | 179.9° | 179.8° |
| O1 | C4 | C3 | N10 | 0.2° | 0.2° |
| O1 | C4 | C3 | C2 | 179.9° | 179.7° |
| N6 | C12 | C14 | C11 | 179.8° | 179.9° |
| N6 | C12 | C14 | N4 | 179.8° | 180.0° |
| C12 | N6 | C15 | N2 | 0.1° | 0.1° |
| N6 | C12 | C11 | N2 | 0.1° | 0.0° |
| N6 | C12 | C11 | N3 | 179.9° | 180.0° |
| C12 | N6 | C15 | H9 | 179.9° | 180.0° |
| C15 | N6 | C12 | C14 | 180.0° | 180.0° |
| C15 | N6 | C12 | C11 | 0.1° | 0.1° |
| N6 | C15 | N2 | H9 | 180.0° | 180.0° |
| N6 | C15 | N2 | C11 | 0.0° | 0.0° |
| N6 | C15 | N2 | C8 | 179.9° | 180.0° |
| C12 | C14 | N4 | C13 | 0.0° | 0.0° |
| C14 | C12 | C11 | N2 | 180.0° | 180.0° |
| C14 | C12 | C11 | N3 | 0.0° | 0.1° |
| C12 | C14 | N5 | H13 | 179.9° | 0.1° |
| C12 | C14 | N5 | H14 | 60.1° | 180.0° |
| N4 | C14 | C12 | C11 | 0.0° | 0.1° |
| C14 | N4 | C13 | N3 | 0.1° | 0.0° |
| C14 | N4 | C13 | H8 | 179.9° | 180.0° |
| N4 | C14 | N5 | H13 | 0.0° | 180.0° |
| N4 | C14 | N5 | H14 | 120.0° | 0.0° |
| N7 | C4 | C3 | N10 | 179.9° | 179.9° |
| N7 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | N7 | C1 | N1 | 180.0° | 180.0° |
| C4 | N7 | C1 | N8 | 0.0° | 0.0° |
| C3 | C4 | N7 | C1 | 0.0° | 0.0° |
| C4 | C3 | N10 | C2 | 180.0° | 179.9° |
| C4 | C3 | N10 | C6 | 179.6° | 179.9° |
| C4 | C3 | C2 | N8 | 0.2° | 0.1° |
| C4 | C3 | C2 | N9 | 179.9° | 180.0° |
| C12 | C11 | N2 | C15 | 0.0° | 0.0° |
| C12 | C11 | N2 | N3 | 180.0° | 180.0° |
| C12 | C11 | N2 | C8 | 180.0° | 179.9° |
| C12 | C11 | N3 | C13 | 0.0° | 0.0° |
| N7 | C1 | N1 | N8 | 180.0° | 180.0° |
| N7 | C1 | N8 | C2 | 0.1° | 0.0° |
| N7 | C1 | N1 | H1 | 0.0° | 179.9° |
| N7 | C1 | N1 | H2 | 180.0° | 0.3° |
| N7 | C1 | N8 | H15 | 179.8° | 180.0° |
| C15 | N2 | C11 | C8 | 179.9° | 179.9° |
| C15 | N2 | C11 | N3 | 180.0° | 180.0° |
| C15 | N2 | C8 | O4 | 76.7° | 19.1° |
| C15 | N2 | C8 | C9 | 41.5° | 95.0° |
| C15 | N2 | C8 | H6 | 161.7° | 142.1° |
| N4 | C13 | N3 | C11 | 0.0° | 0.0° |
| N4 | C13 | N3 | H8 | 180.0° | 180.0° |
| O6 | C17 | C6 | N10 | 2.2° | 180.0° |
| O6 | C17 | C6 | O5 | 179.5° | 179.9° |
| O6 | C17 | C6 | C5 | 178.9° | 0.1° |
| O6 | C17 | O5 | C7 | 23.6° | 0.1° |
| C3 | N10 | C6 | C17 | 179.7° | 180.0° |
| C3 | N10 | C6 | C5 | 0.7° | 0.1° |
| N10 | C3 | C2 | N8 | 179.8° | 180.0° |
| N10 | C3 | C2 | N9 | 0.1° | 0.1° |
| C6 | N10 | C3 | C2 | 0.4° | 0.1° |
| N10 | C6 | C17 | C5 | 178.9° | 179.9° |
| N10 | C6 | C17 | O5 | 177.3° | 0.1° |
| N10 | C6 | C5 | N9 | 0.7° | 0.1° |
| N10 | C6 | C5 | H3 | 179.3° | 180.0° |
| C3 | C2 | N8 | C1 | 0.2° | 0.1° |
| C3 | C2 | N8 | N9 | 179.7° | 179.9° |
| C3 | C2 | N9 | C5 | 0.1° | 0.1° |
| C3 | C2 | N8 | H15 | 179.8° | 180.0° |
| N2 | C11 | N3 | C13 | 180.0° | 180.0° |
| C11 | N2 | C8 | O4 | 103.4° | 160.8° |
| C11 | N2 | C8 | C9 | 138.4° | 85.1° |
| C11 | N2 | C8 | H6 | 18.2° | 37.8° |
| C11 | N2 | C15 | H9 | 180.0° | 180.0° |
| N3 | C11 | N2 | C8 | 0.0° | 0.0° |
| C11 | N3 | C13 | H8 | 180.0° | 180.0° |
| N2 | C8 | O4 | C9 | 122.5° | 118.5° |
| N2 | C8 | O4 | H6 | 121.3° | 123.0° |
| N2 | C8 | O4 | C16 | 157.2° | 158.6° |
| N2 | C8 | C9 | H6 | 120.6° | 122.8° |
| N2 | C8 | C9 | C10 | 152.3° | 155.7° |
| N2 | C8 | C9 | O3 | 90.1° | 86.1° |
| C8 | N2 | C15 | H9 | 0.1° | 0.1° |
| N2 | C8 | C9 | H10 | 33.6° | 37.5° |
| N1 | C1 | N8 | C2 | 179.9° | 180.0° |
| C1 | N1 | H1 | H2 | 180.0° | 179.6° |
| N1 | C1 | N8 | H15 | 0.1° | 0.0° |
| C1 | N8 | C2 | H15 | 180.0° | 179.9° |
| C1 | N8 | C2 | N9 | 179.9° | 180.0° |
| N8 | C1 | N1 | H1 | 180.0° | 0.1° |
| N8 | C1 | N1 | H2 | 0.1° | 179.7° |
| C6 | C17 | O5 | C7 | 156.9° | 180.0° |
| C17 | C6 | C5 | N9 | 179.6° | 180.0° |
| C17 | C6 | C5 | H3 | 0.4° | 0.0° |
| O5 | C17 | C6 | C5 | 1.6° | 180.0° |
| C17 | O5 | C7 | C16 | 116.0° | 180.0° |
| C17 | O5 | C7 | H4 | 5.2° | 60.0° |
| C17 | O5 | C7 | H5 | 122.8° | 60.1° |
| C6 | C5 | N9 | C2 | 0.3° | 0.1° |
| C6 | C5 | N9 | H3 | 180.0° | 179.9° |
| N8 | C2 | N9 | C5 | 179.8° | 180.0° |
| C2 | N9 | C5 | H3 | 179.7° | 180.0° |
| N9 | C2 | N8 | H15 | 0.0° | 0.0° |
| O4 | C8 | C9 | H6 | 117.1° | 118.5° |
| C8 | O4 | C16 | C7 | 146.0° | 145.9° |
| O4 | C8 | C9 | C10 | 30.0° | 37.0° |
| O4 | C8 | C9 | O3 | 147.6° | 155.2° |
| C8 | O4 | C16 | C10 | 26.4° | 26.5° |
| O4 | C8 | C9 | H10 | 88.7° | 81.2° |
| C8 | O4 | C16 | H16 | 92.6° | 93.0° |
| C16 | O4 | C8 | C9 | 34.7° | 40.0° |
| O4 | C16 | C7 | O5 | 86.9° | 67.1° |
| O4 | C16 | C7 | C10 | 117.2° | 117.9° |
| O4 | C16 | C7 | H16 | 121.4° | 121.2° |
| O4 | C16 | C10 | C9 | 7.1° | 2.0° |
| O4 | C16 | C10 | H16 | 119.2° | 119.6° |
| O4 | C16 | C10 | O2 | 124.6° | 120.6° |
| O4 | C16 | C7 | H4 | 34.3° | 172.8° |
| O4 | C16 | C7 | H5 | 151.9° | 52.8° |
| C16 | O4 | C8 | H6 | 81.5° | 78.4° |
| O4 | C16 | C10 | H7 | 112.1° | 116.7° |
| C8 | C9 | C10 | O3 | 117.9° | 118.2° |
| C8 | C9 | C10 | H10 | 118.4° | 118.2° |
| C8 | C9 | O3 | H10 | 122.5° | 123.7° |
| C8 | C9 | C10 | C16 | 13.4° | 20.9° |
| C8 | C9 | C10 | O2 | 104.2° | 97.8° |
| C8 | C9 | C10 | H7 | 132.4° | 139.7° |
| C8 | C9 | O3 | H12 | 180.0° | 180.0° |
| O5 | C7 | C16 | H4 | 121.2° | 120.1° |
| O5 | C7 | C16 | H5 | 121.2° | 120.0° |
| O5 | C7 | C16 | C10 | 155.9° | 175.0° |
| O5 | C7 | H4 | H5 | 116.2° | 120.0° |
| O5 | C7 | C16 | H16 | 34.5° | 54.1° |
| C7 | C16 | C10 | C9 | 126.3° | 121.5° |
| C7 | C16 | C10 | H16 | 121.6° | 121.0° |
| C7 | C16 | C10 | O2 | 116.2° | 119.9° |
| C16 | C7 | H4 | H5 | 116.2° | 120.0° |
| C7 | C16 | C10 | H7 | 7.2° | 2.8° |
| C10 | C9 | O3 | H10 | 122.7° | 123.6° |
| C9 | C10 | C16 | O2 | 117.5° | 118.6° |
| C9 | C10 | C16 | H7 | 119.1° | 118.7° |
| C9 | C10 | O2 | H7 | 122.4° | 122.5° |
| C10 | C9 | C8 | H6 | 87.1° | 81.5° |
| C9 | C10 | O2 | H11 | 180.0° | 63.3° |
| C10 | C9 | O3 | H12 | 65.1° | 67.2° |
| C9 | C10 | C16 | H16 | 112.1° | 117.5° |
| O3 | C9 | C10 | C16 | 131.3° | 139.1° |
| O3 | C9 | C10 | O2 | 13.6° | 20.4° |
| O3 | C9 | C8 | H6 | 30.6° | 36.7° |
| O3 | C9 | C10 | H7 | 109.7° | 102.1° |
| C16 | C10 | O2 | H7 | 122.2° | 122.8° |
| C10 | C16 | C7 | H4 | 82.9° | 54.9° |
| C10 | C16 | C7 | H5 | 34.7° | 65.0° |
| C16 | C10 | C9 | H10 | 105.0° | 97.3° |
| C16 | C10 | O2 | H11 | 64.6° | 178.0° |
| O2 | C10 | C9 | H10 | 137.4° | 144.0° |
| O2 | C10 | C16 | H16 | 5.4° | 1.1° |
| H4 | C7 | C16 | H16 | 155.7° | 66.0° |
| H5 | C7 | C16 | H16 | 86.7° | 174.0° |
| H6 | C8 | C9 | H10 | 154.2° | 160.3° |
| H7 | C10 | C9 | H10 | 14.0° | 21.5° |
| H7 | C10 | O2 | H11 | 57.6° | 59.3° |
| H7 | C10 | C16 | H16 | 128.8° | 123.8° |
| H10 | C9 | O3 | H12 | 57.6° | 56.4° |
