V7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | O2 | sing | 1.22Å | 1.34Å | Aromatic |
| N3 | C10 | doub | 1.31Å | 1.35Å | Aromatic |
| O2 | N4 | sing | 1.21Å | 1.34Å | Aromatic |
| O1 | N2 | doub | 1.22Å | 1.42Å | |
| N2 | O | sing | 1.22Å | 1.40Å | |
| N2 | C9 | sing | 1.48Å | 1.41Å | |
| N4 | C11 | doub | 1.31Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.49Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.48Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.46Å | 1.49Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.37Å | 1.41Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.72Å | |
| S | C5 | sing | 1.81Å | 1.77Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| O7 | C15 | sing | 1.34Å | 1.35Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | C12 | sing | 1.51Å | 1.53Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | |
| O6 | C3 | doub | 1.21Å | 1.22Å | |
| C15 | O8 | doub | 1.21Å | 1.23Å | |
| C15 | C | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C12 | O5 | doub | 1.21Å | 1.22Å | |
| C12 | N5 | sing | 1.35Å | 1.34Å | |
| C | N | sing | 1.47Å | 1.49Å | |
| N5 | C13 | sing | 1.46Å | 1.44Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | O3 | sing | 1.34Å | 1.32Å | |
| C14 | O4 | doub | 1.21Å | 1.22Å | |
| O7 | H17 | sing | 0.97Å | 0.95Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N3 | C10 | 104.1° | 109.0° |
| N3 | O2 | N4 | 117.5° | 116.2° |
| N3 | C10 | C9 | 133.5° | 138.8° |
| N3 | C10 | C11 | 107.3° | 102.6° |
| O2 | N4 | C11 | 103.8° | 109.1° |
| O1 | N2 | O | 120.0° | 120.0° |
| O1 | N2 | C9 | 120.9° | 120.0° |
| O | N2 | C9 | 119.1° | 120.0° |
| N2 | C9 | C10 | 118.1° | 120.0° |
| N2 | C9 | C8 | 122.3° | 119.9° |
| N4 | C11 | C10 | 107.3° | 102.9° |
| N4 | C11 | C6 | 135.0° | 138.9° |
| C9 | C10 | C11 | 119.1° | 118.6° |
| C10 | C9 | C8 | 119.6° | 120.1° |
| C10 | C11 | C6 | 117.7° | 118.2° |
| C9 | C8 | C7 | 121.2° | 122.7° |
| C9 | C8 | H12 | 119.4° | 118.7° |
| C11 | C6 | C7 | 118.7° | 118.6° |
| C11 | C6 | S | 123.3° | 120.7° |
| C8 | C7 | C6 | 123.7° | 121.7° |
| C7 | C8 | H12 | 119.4° | 118.6° |
| C8 | C7 | H11 | 118.2° | 119.2° |
| C7 | C6 | S | 118.0° | 120.7° |
| C6 | C7 | H11 | 118.1° | 119.2° |
| C6 | S | C5 | 127.0° | 103.0° |
| S | C5 | C4 | 106.1° | 109.5° |
| S | C5 | H10 | 110.3° | 109.5° |
| S | C5 | H9 | 110.3° | 109.4° |
| C5 | C4 | N1 | 112.6° | 109.4° |
| C5 | C4 | C12 | 108.7° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C4 | C5 | H10 | 110.3° | 109.5° |
| C4 | C5 | H9 | 110.3° | 109.5° |
| O7 | C15 | O8 | 118.4° | 120.0° |
| O7 | C15 | C | 122.5° | 120.0° |
| C15 | O7 | H17 | 109.5° | 117.0° |
| N1 | C4 | C12 | 109.0° | 109.5° |
| C4 | N1 | C3 | 126.4° | 120.0° |
| C4 | N1 | H8 | 116.8° | 120.0° |
| N1 | C4 | H1 | 109.4° | 109.5° |
| C4 | C12 | O5 | 119.1° | 120.0° |
| C4 | C12 | N5 | 120.4° | 120.0° |
| C12 | C4 | H1 | 108.6° | 109.5° |
| N1 | C3 | O6 | 122.7° | 120.0° |
| N1 | C3 | C2 | 117.5° | 120.0° |
| C3 | N1 | H8 | 116.8° | 120.0° |
| O6 | C3 | C2 | 119.6° | 120.0° |
| O8 | C15 | C | 119.1° | 120.1° |
| C15 | C | C1 | 108.9° | 109.5° |
| C15 | C | N | 115.3° | 109.5° |
| C15 | C | H | 108.5° | 109.5° |
| C3 | C2 | C1 | 109.6° | 109.5° |
| C3 | C2 | H7 | 109.4° | 109.5° |
| C3 | C2 | H6 | 109.4° | 109.5° |
| C2 | C1 | C | 112.7° | 109.5° |
| C2 | C1 | H5 | 108.7° | 109.4° |
| C2 | C1 | H4 | 108.7° | 109.5° |
| C1 | C2 | H7 | 109.4° | 109.4° |
| C1 | C2 | H6 | 109.4° | 109.5° |
| C1 | C | N | 106.5° | 109.5° |
| C1 | C | H | 108.5° | 109.4° |
| C | C1 | H5 | 108.7° | 109.5° |
| C | C1 | H4 | 108.7° | 109.5° |
| O5 | C12 | N5 | 120.5° | 119.9° |
| C12 | N5 | C13 | 123.9° | 120.0° |
| C12 | N5 | H13 | 118.1° | 120.0° |
| N | C | H | 108.9° | 109.5° |
| C | N | H2 | 109.5° | 111.0° |
| C | N | H3 | 109.5° | 111.0° |
| N5 | C13 | C14 | 111.0° | 109.5° |
| C13 | N5 | H13 | 118.0° | 120.0° |
| N5 | C13 | H14 | 109.1° | 109.5° |
| N5 | C13 | H15 | 109.1° | 109.5° |
| C13 | C14 | O3 | 118.5° | 120.0° |
| C13 | C14 | O4 | 120.0° | 120.0° |
| C14 | C13 | H14 | 109.1° | 109.4° |
| C14 | C13 | H15 | 109.1° | 109.5° |
| O3 | C14 | O4 | 121.5° | 120.0° |
| C14 | O3 | H16 | 109.5° | 117.0° |
| H2 | N | H3 | 109.4° | 111.0° |
| H5 | C1 | H4 | 109.4° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H10 | C5 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | O2 | N4 | C11 | 0.2° | 0.1° |
| O2 | N3 | C10 | C9 | 179.6° | 179.9° |
| O2 | N3 | C10 | C11 | 0.3° | 0.0° |
| C10 | N3 | O2 | N4 | 0.3° | 0.1° |
| N3 | C10 | C9 | N2 | 0.8° | 0.0° |
| N3 | C10 | C11 | N4 | 0.2° | 0.0° |
| N3 | C10 | C9 | C11 | 179.3° | 180.0° |
| N3 | C10 | C9 | C8 | 179.6° | 180.0° |
| N3 | C10 | C11 | C6 | 179.6° | 179.9° |
| O2 | N4 | C11 | C10 | 0.0° | 0.0° |
| O2 | N4 | C11 | C6 | 179.2° | 180.0° |
| O1 | N2 | O | C9 | 179.9° | 179.9° |
| O1 | N2 | C9 | C10 | 22.2° | 0.1° |
| O1 | N2 | C9 | C8 | 157.4° | 180.0° |
| O | N2 | C9 | C10 | 157.7° | 180.0° |
| O | N2 | C9 | C8 | 22.7° | 0.0° |
| N2 | C9 | C10 | C8 | 179.6° | 180.0° |
| N2 | C9 | C10 | C11 | 179.9° | 180.0° |
| N2 | C9 | C8 | C7 | 179.2° | 180.0° |
| N2 | C9 | C8 | H12 | 0.8° | 0.0° |
| N4 | C11 | C10 | C9 | 179.6° | 180.0° |
| N4 | C11 | C10 | C6 | 179.4° | 179.9° |
| N4 | C11 | C6 | C7 | 179.9° | 180.0° |
| N4 | C11 | C6 | S | 1.6° | 0.3° |
| C9 | C10 | C11 | C6 | 1.0° | 0.1° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C10 | C9 | C8 | H12 | 179.6° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C6 | C7 | 1.0° | 0.1° |
| C10 | C11 | C6 | S | 179.2° | 179.7° |
| C9 | C8 | C7 | H12 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.0° |
| C9 | C8 | C7 | H11 | 179.5° | 179.7° |
| C11 | C6 | C7 | C8 | 0.2° | 0.1° |
| C11 | C6 | C7 | S | 178.4° | 179.7° |
| C11 | C6 | S | C5 | 32.7° | 179.7° |
| C11 | C6 | C7 | H11 | 179.8° | 179.7° |
| C8 | C7 | C6 | H11 | 180.0° | 179.7° |
| C8 | C7 | C6 | S | 178.6° | 179.7° |
| C7 | C6 | S | C5 | 149.0° | 0.0° |
| C6 | C7 | C8 | H12 | 179.5° | 180.0° |
| C6 | S | C5 | C4 | 151.4° | 180.0° |
| C6 | S | C5 | H10 | 32.0° | 60.0° |
| C6 | S | C5 | H9 | 89.1° | 60.0° |
| S | C6 | C7 | H11 | 1.4° | 0.0° |
| S | C5 | C4 | H10 | 119.5° | 120.1° |
| S | C5 | C4 | H9 | 119.5° | 120.0° |
| S | C5 | C4 | N1 | 164.7° | 60.1° |
| S | C5 | C4 | C12 | 74.4° | 180.0° |
| S | C5 | C4 | H1 | 43.5° | 59.9° |
| S | C5 | H10 | H9 | 121.6° | 120.0° |
| C5 | C4 | N1 | C12 | 120.7° | 120.0° |
| C5 | C4 | N1 | H1 | 120.7° | 120.0° |
| C5 | C4 | C12 | H1 | 117.8° | 120.0° |
| C5 | C4 | N1 | C3 | 128.3° | 155.0° |
| C5 | C4 | C12 | O5 | 63.9° | 120.0° |
| C5 | C4 | C12 | N5 | 113.8° | 60.0° |
| C5 | C4 | N1 | H8 | 51.7° | 25.0° |
| C4 | C5 | H10 | H9 | 121.6° | 120.0° |
| O7 | C15 | O8 | C | 178.9° | 179.7° |
| O7 | C15 | C | C1 | 88.9° | 80.3° |
| O7 | C15 | C | N | 30.7° | 159.7° |
| O7 | C15 | C | H | 153.2° | 39.7° |
| N1 | C4 | C12 | H1 | 119.2° | 120.1° |
| C4 | N1 | C3 | H8 | 180.0° | 180.0° |
| C4 | N1 | C3 | O6 | 6.6° | 0.0° |
| C4 | N1 | C3 | C2 | 168.1° | 180.0° |
| N1 | C4 | C12 | O5 | 59.1° | 0.1° |
| N1 | C4 | C12 | N5 | 123.1° | 180.0° |
| N1 | C4 | C5 | H10 | 75.8° | 60.0° |
| N1 | C4 | C5 | H9 | 45.3° | 180.0° |
| C12 | C4 | N1 | C3 | 111.0° | 85.0° |
| C4 | C12 | O5 | N5 | 177.8° | 180.0° |
| C4 | C12 | N5 | C13 | 159.5° | 179.9° |
| C12 | C4 | N1 | H8 | 69.0° | 95.0° |
| C4 | C12 | N5 | H13 | 20.5° | 0.0° |
| C12 | C4 | C5 | H10 | 45.0° | 60.0° |
| C12 | C4 | C5 | H9 | 166.1° | 60.0° |
| N1 | C3 | O6 | C2 | 174.6° | 180.0° |
| N1 | C3 | C2 | C1 | 166.0° | 180.0° |
| N1 | C3 | C2 | H7 | 73.9° | 60.0° |
| N1 | C3 | C2 | H6 | 46.0° | 60.0° |
| C3 | N1 | C4 | H1 | 7.6° | 35.0° |
| O6 | C3 | C2 | C1 | 19.1° | 0.0° |
| O6 | C3 | C2 | H7 | 100.9° | 120.0° |
| O6 | C3 | C2 | H6 | 139.1° | 120.0° |
| O6 | C3 | N1 | H8 | 173.4° | 180.0° |
| O8 | C15 | C | C1 | 90.0° | 100.0° |
| O8 | C15 | C | N | 150.4° | 20.0° |
| O8 | C15 | O7 | H17 | 0.0° | 0.1° |
| O8 | C15 | C | H | 28.0° | 140.0° |
| C15 | C | C1 | C2 | 73.9° | 175.0° |
| C15 | C | C1 | N | 124.9° | 120.0° |
| C15 | C | C1 | H | 117.9° | 120.0° |
| C15 | C | N | H | 122.2° | 120.0° |
| C | C15 | O7 | H17 | 178.9° | 179.8° |
| C15 | C | N | H2 | 180.0° | 64.0° |
| C15 | C | N | H3 | 60.0° | 60.0° |
| C15 | C | C1 | H5 | 46.6° | 65.0° |
| C15 | C | C1 | H4 | 165.6° | 55.0° |
| C3 | C2 | C1 | H7 | 120.0° | 120.0° |
| C3 | C2 | C1 | H6 | 120.0° | 120.0° |
| C3 | C2 | C1 | C | 173.9° | 180.0° |
| C3 | C2 | C1 | H5 | 65.6° | 60.0° |
| C3 | C2 | C1 | H4 | 53.4° | 60.0° |
| C3 | C2 | H7 | H6 | 119.9° | 120.0° |
| C2 | C3 | N1 | H8 | 11.9° | 0.0° |
| C2 | C1 | C | H5 | 120.5° | 120.0° |
| C2 | C1 | C | H4 | 120.5° | 120.1° |
| C2 | C1 | C | N | 161.2° | 65.0° |
| C2 | C1 | C | H | 44.1° | 55.0° |
| C2 | C1 | H5 | H4 | 118.5° | 120.0° |
| C1 | C2 | H7 | H6 | 119.9° | 120.0° |
| C1 | C | N | H | 116.9° | 120.0° |
| C1 | C | N | H2 | 59.1° | 176.0° |
| C1 | C | N | H3 | 179.1° | 60.0° |
| C | C1 | H5 | H4 | 118.5° | 120.0° |
| C | C1 | C2 | H7 | 53.9° | 60.0° |
| C | C1 | C2 | H6 | 66.1° | 59.9° |
| O5 | C12 | N5 | C13 | 18.3° | 0.0° |
| O5 | C12 | C4 | H1 | 178.3° | 120.0° |
| O5 | C12 | N5 | H13 | 161.8° | 180.0° |
| C12 | N5 | C13 | H13 | 180.0° | 179.9° |
| C12 | N5 | C13 | C14 | 142.3° | 180.0° |
| N5 | C12 | C4 | H1 | 3.9° | 60.0° |
| C12 | N5 | C13 | H14 | 97.4° | 60.1° |
| C12 | N5 | C13 | H15 | 22.1° | 60.0° |
| C | N | H2 | H3 | 120.0° | 124.0° |
| N | C | C1 | H5 | 78.3° | 55.0° |
| N | C | C1 | H4 | 40.7° | 175.0° |
| N5 | C13 | C14 | H14 | 120.2° | 120.0° |
| N5 | C13 | C14 | H15 | 120.2° | 120.1° |
| N5 | C13 | C14 | O3 | 10.7° | 180.0° |
| N5 | C13 | C14 | O4 | 171.7° | 0.0° |
| N5 | C13 | H14 | H15 | 119.3° | 120.0° |
| C13 | C14 | O3 | O4 | 177.6° | 180.0° |
| C14 | C13 | N5 | H13 | 37.7° | 0.1° |
| C14 | C13 | H14 | H15 | 119.3° | 120.0° |
| C13 | C14 | O3 | H16 | 177.6° | 180.0° |
| O3 | C14 | C13 | H14 | 130.9° | 60.0° |
| O3 | C14 | C13 | H15 | 109.6° | 60.0° |
| O4 | C14 | C13 | H14 | 51.5° | 120.0° |
| O4 | C14 | C13 | H15 | 68.0° | 120.0° |
| O4 | C14 | O3 | H16 | 0.0° | 0.0° |
| H | C | N | H2 | 57.8° | 56.0° |
| H | C | N | H3 | 62.2° | 180.0° |
| H | C | C1 | H5 | 164.6° | 175.0° |
| H | C | C1 | H4 | 76.4° | 65.0° |
| H5 | C1 | C2 | H7 | 174.4° | 180.0° |
| H5 | C1 | C2 | H6 | 54.4° | 60.0° |
| H4 | C1 | C2 | H7 | 66.6° | 60.0° |
| H4 | C1 | C2 | H6 | 173.4° | 180.0° |
| H8 | N1 | C4 | H1 | 172.4° | 145.0° |
| H1 | C4 | C5 | H10 | 162.9° | 180.0° |
| H1 | C4 | C5 | H9 | 76.0° | 60.0° |
| H13 | N5 | C13 | H14 | 82.5° | 120.0° |
| H13 | N5 | C13 | H15 | 157.9° | 120.0° |
| H12 | C8 | C7 | H11 | 0.4° | 0.3° |
