7GM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.40Å | |
| C15 | S18 | sing | 1.76Å | 1.77Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C10 | C8 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.54Å | 1.50Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| C4 | N5 | sing | 1.49Å | 1.46Å | |
| C6 | C2 | sing | 1.54Å | 1.52Å | |
| C6 | N5 | sing | 1.49Å | 1.47Å | |
| C8 | C7 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | O11 | sing | 1.43Å | 1.45Å | |
| C19 | S18 | sing | 1.81Å | 1.81Å | |
| C7 | N5 | sing | 1.47Å | 1.46Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.5° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H13 | 119.7° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C13 | C12 | C17 | 119.7° | 120.1° |
| C13 | C12 | O11 | 122.4° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C16 | C17 | C12 | 119.7° | 120.1° |
| C17 | C16 | C15 | 120.3° | 119.9° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C17 | C12 | O11 | 117.8° | 120.0° |
| C12 | C17 | H17 | 120.1° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | S18 | 118.7° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C16 | C15 | S18 | 121.3° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.1° |
| C12 | O11 | C2 | 117.3° | 117.0° |
| C15 | S18 | C19 | 96.7° | 103.0° |
| C10 | C9 | C8 | 60.2° | 60.0° |
| C9 | C10 | C8 | 60.1° | 60.0° |
| C10 | C9 | H91C | 120.0° | 117.5° |
| C10 | C9 | H92C | 120.0° | 117.5° |
| C9 | C10 | H101 | 120.0° | 117.5° |
| C9 | C10 | H102 | 120.0° | 117.4° |
| C9 | C8 | C10 | 59.7° | 60.0° |
| C9 | C8 | C7 | 117.8° | 117.5° |
| C8 | C9 | H91C | 120.0° | 117.6° |
| C8 | C9 | H92C | 120.0° | 117.5° |
| C9 | C8 | H8 | 116.2° | 117.5° |
| C10 | C8 | C7 | 118.6° | 117.5° |
| C8 | C10 | H101 | 120.0° | 117.5° |
| C8 | C10 | H102 | 120.0° | 117.5° |
| C10 | C8 | H8 | 116.2° | 117.5° |
| C4 | C3 | C2 | 106.7° | 105.1° |
| C3 | C4 | N5 | 106.5° | 104.5° |
| C4 | C3 | H31C | 110.1° | 110.3° |
| C4 | C3 | H32C | 110.2° | 110.3° |
| C3 | C4 | H41C | 110.2° | 110.4° |
| C3 | C4 | H42C | 110.2° | 110.4° |
| C3 | C2 | C6 | 103.2° | 105.1° |
| C3 | C2 | C1 | 110.8° | 110.3° |
| C3 | C2 | O11 | 112.9° | 110.3° |
| C2 | C3 | H31C | 110.2° | 110.3° |
| C2 | C3 | H32C | 110.1° | 110.3° |
| C4 | N5 | C6 | 103.9° | 104.2° |
| C4 | N5 | C7 | 108.0° | 111.0° |
| N5 | C4 | H41C | 110.2° | 110.4° |
| N5 | C4 | H42C | 110.2° | 110.4° |
| C2 | C6 | N5 | 109.1° | 104.6° |
| C6 | C2 | C1 | 110.4° | 110.4° |
| C6 | C2 | O11 | 105.9° | 110.3° |
| C2 | C6 | H61C | 109.6° | 110.3° |
| C2 | C6 | H62C | 109.6° | 110.4° |
| C6 | N5 | C7 | 107.0° | 111.0° |
| N5 | C6 | H61C | 109.5° | 110.4° |
| N5 | C6 | H62C | 109.6° | 110.4° |
| C8 | C7 | N5 | 114.5° | 109.4° |
| C7 | C8 | H8 | 116.3° | 115.6° |
| C8 | C7 | H71C | 108.2° | 109.5° |
| C8 | C7 | H72C | 108.2° | 109.5° |
| C1 | C2 | O11 | 113.0° | 110.3° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.4° | 109.5° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| S18 | C19 | H191 | 109.5° | 109.5° |
| S18 | C19 | H192 | 109.5° | 109.5° |
| S18 | C19 | H193 | 109.4° | 109.5° |
| N5 | C7 | H71C | 108.2° | 109.5° |
| N5 | C7 | H72C | 108.2° | 109.4° |
| H91C | C9 | H92C | 109.5° | 115.5° |
| H101 | C10 | H102 | 109.5° | 115.6° |
| H31C | C3 | H32C | 109.5° | 110.4° |
| H41C | C4 | H42C | 109.5° | 110.5° |
| H61C | C6 | H62C | 109.5° | 110.4° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 2.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C12 | O11 | 179.5° | 180.0° |
| C13 | C14 | C15 | S18 | 179.8° | 180.0° |
| C13 | C12 | C17 | C16 | 2.0° | 0.0° |
| C13 | C12 | C17 | O11 | 177.5° | 180.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C12 | O11 | C2 | 60.5° | 3.0° |
| C12 | C13 | C14 | H14 | 179.0° | 180.0° |
| C13 | C12 | C17 | H17 | 178.0° | 180.0° |
| C16 | C17 | C12 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C17 | C12 | O11 | 179.6° | 180.0° |
| C17 | C16 | C15 | S18 | 179.8° | 180.0° |
| C12 | C17 | C16 | C15 | 0.9° | 0.0° |
| C17 | C12 | O11 | C2 | 122.1° | 177.1° |
| C17 | C12 | C13 | H13 | 177.9° | 179.8° |
| C12 | C17 | C16 | H16 | 179.1° | 179.9° |
| C14 | C15 | C16 | S18 | 179.6° | 179.9° |
| C14 | C15 | S18 | C19 | 93.8° | 179.9° |
| C15 | C14 | C13 | H13 | 179.0° | 179.7° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| C16 | C15 | S18 | C19 | 85.8° | 0.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C16 | C17 | H17 | 179.1° | 180.0° |
| C12 | O11 | C2 | C3 | 74.8° | 54.7° |
| C12 | O11 | C2 | C6 | 172.9° | 170.3° |
| C12 | O11 | C2 | C1 | 52.0° | 67.5° |
| O11 | C12 | C13 | H13 | 0.5° | 0.3° |
| O11 | C12 | C17 | H17 | 0.4° | 0.1° |
| S18 | C15 | C14 | H14 | 0.2° | 0.1° |
| S18 | C15 | C16 | H16 | 0.2° | 0.1° |
| C15 | S18 | C19 | H191 | 180.0° | 180.0° |
| C15 | S18 | C19 | H192 | 60.0° | 60.0° |
| C15 | S18 | C19 | H193 | 60.0° | 59.9° |
| C10 | C9 | C8 | H91C | 109.5° | 107.5° |
| C10 | C9 | C8 | H92C | 109.5° | 107.5° |
| C9 | C10 | C8 | H101 | 109.5° | 107.5° |
| C9 | C10 | C8 | H102 | 109.5° | 107.4° |
| C10 | C9 | C8 | C7 | 108.6° | 107.5° |
| C10 | C9 | H91C | H92C | 144.6° | 145.6° |
| C9 | C10 | H101 | H102 | 144.7° | 145.7° |
| C10 | C9 | C8 | H8 | 106.4° | 107.5° |
| C9 | C8 | C7 | H8 | 145.0° | 145.7° |
| C9 | C8 | C7 | N5 | 179.5° | 175.0° |
| C8 | C9 | H91C | H92C | 144.6° | 145.7° |
| C9 | C8 | C7 | H71C | 59.8° | 55.0° |
| C9 | C8 | C7 | H72C | 58.7° | 65.0° |
| C10 | C8 | C7 | H8 | 146.2° | 145.7° |
| C10 | C8 | C7 | N5 | 110.6° | 116.4° |
| C8 | C10 | H101 | H102 | 144.7° | 145.7° |
| C10 | C8 | C7 | H71C | 128.6° | 123.7° |
| C10 | C8 | C7 | H72C | 10.1° | 3.6° |
| C4 | C3 | C2 | H31C | 119.6° | 118.9° |
| C4 | C3 | C2 | H32C | 119.6° | 118.9° |
| C3 | C4 | N5 | H41C | 119.5° | 118.7° |
| C3 | C4 | N5 | H42C | 119.5° | 118.7° |
| C4 | C3 | C2 | C6 | 6.1° | 0.1° |
| C3 | C4 | N5 | C6 | 32.7° | 39.5° |
| C4 | C3 | C2 | C1 | 112.1° | 118.9° |
| C4 | C3 | C2 | O11 | 120.0° | 118.9° |
| C3 | C4 | N5 | C7 | 146.1° | 159.0° |
| C4 | C3 | H31C | H32C | 121.3° | 122.2° |
| C3 | C4 | H41C | H42C | 121.4° | 122.4° |
| C2 | C3 | C4 | N5 | 24.4° | 23.9° |
| C3 | C2 | C6 | C1 | 118.5° | 118.9° |
| C3 | C2 | C6 | O11 | 118.9° | 118.9° |
| C3 | C2 | C6 | N5 | 14.2° | 23.8° |
| C3 | C2 | C1 | O11 | 127.9° | 122.2° |
| C2 | C3 | H31C | H32C | 121.2° | 122.2° |
| C2 | C3 | C4 | H41C | 143.9° | 142.6° |
| C2 | C3 | C4 | H42C | 95.1° | 94.9° |
| C3 | C2 | C6 | H61C | 105.8° | 95.0° |
| C3 | C2 | C6 | H62C | 134.1° | 142.6° |
| C3 | C2 | C1 | H11C | 180.0° | 67.0° |
| C3 | C2 | C1 | H12C | 60.0° | 172.9° |
| C3 | C2 | C1 | H13C | 60.0° | 53.0° |
| C4 | N5 | C6 | C2 | 29.3° | 39.5° |
| C4 | N5 | C6 | C7 | 114.1° | 119.5° |
| C4 | N5 | C7 | C8 | 79.6° | 69.9° |
| N5 | C4 | C3 | H31C | 143.9° | 142.8° |
| N5 | C4 | C3 | H32C | 95.2° | 95.0° |
| N5 | C4 | H41C | H42C | 121.4° | 122.5° |
| C4 | N5 | C6 | H61C | 90.6° | 79.2° |
| C4 | N5 | C6 | H62C | 149.3° | 158.3° |
| C4 | N5 | C7 | H71C | 159.7° | 170.2° |
| C4 | N5 | C7 | H72C | 41.1° | 50.1° |
| C2 | C6 | N5 | H61C | 120.0° | 118.7° |
| C2 | C6 | N5 | H62C | 120.0° | 118.8° |
| C6 | C2 | C1 | O11 | 118.3° | 122.1° |
| C2 | C6 | N5 | C7 | 143.5° | 159.0° |
| C6 | C2 | C3 | H31C | 125.7° | 119.0° |
| C6 | C2 | C3 | H32C | 113.5° | 118.8° |
| C2 | C6 | H61C | H62C | 120.2° | 122.4° |
| C6 | C2 | C1 | H11C | 66.2° | 177.3° |
| C6 | C2 | C1 | H12C | 53.8° | 57.2° |
| C6 | C2 | C1 | H13C | 173.8° | 62.7° |
| C6 | N5 | C7 | C8 | 169.1° | 174.7° |
| N5 | C6 | C2 | C1 | 132.7° | 142.8° |
| N5 | C6 | C2 | O11 | 104.7° | 95.1° |
| C6 | N5 | C4 | H41C | 152.2° | 158.2° |
| C6 | N5 | C4 | H42C | 86.9° | 79.2° |
| N5 | C6 | H61C | H62C | 120.1° | 122.4° |
| C6 | N5 | C7 | H71C | 48.4° | 54.8° |
| C6 | N5 | C7 | H72C | 70.2° | 65.3° |
| C8 | C7 | N5 | H71C | 120.7° | 120.0° |
| C8 | C7 | N5 | H72C | 120.7° | 120.0° |
| C7 | C8 | C9 | H91C | 141.9° | 145.0° |
| C7 | C8 | C9 | H92C | 0.9° | 0.0° |
| C7 | C8 | C10 | H101 | 2.2° | 0.0° |
| C7 | C8 | C10 | H102 | 143.2° | 145.1° |
| C8 | C7 | H71C | H72C | 117.7° | 120.0° |
| C1 | C2 | C3 | H31C | 7.5° | 0.0° |
| C1 | C2 | C3 | H32C | 128.3° | 122.2° |
| C1 | C2 | C6 | H61C | 12.7° | 24.0° |
| C1 | C2 | C6 | H62C | 107.4° | 98.4° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 119.9° | 120.0° |
| O11 | C2 | C3 | H31C | 120.5° | 122.2° |
| O11 | C2 | C3 | H32C | 0.4° | 0.0° |
| O11 | C2 | C6 | H61C | 135.3° | 146.2° |
| O11 | C2 | C6 | H62C | 15.2° | 23.8° |
| O11 | C2 | C1 | H11C | 52.1° | 55.1° |
| O11 | C2 | C1 | H12C | 172.1° | 64.9° |
| O11 | C2 | C1 | H13C | 67.9° | 175.1° |
| S18 | C19 | H191 | H192 | 120.0° | 120.0° |
| S18 | C19 | H191 | H193 | 120.0° | 120.1° |
| S18 | C19 | H192 | H193 | 120.0° | 120.0° |
| N5 | C7 | C8 | H8 | 35.6° | 29.3° |
| C7 | N5 | C4 | H41C | 94.4° | 82.2° |
| C7 | N5 | C4 | H42C | 26.6° | 40.3° |
| C7 | N5 | C6 | H61C | 23.5° | 40.3° |
| C7 | N5 | C6 | H62C | 96.6° | 82.2° |
| N5 | C7 | H71C | H72C | 117.7° | 120.0° |
| H13 | C13 | C14 | H14 | 1.0° | 0.2° |
| H17 | C17 | C16 | H16 | 0.9° | 0.0° |
| H91C | C9 | C10 | H101 | 140.9° | 145.0° |
| H91C | C9 | C10 | H102 | 0.0° | 0.1° |
| H91C | C9 | C8 | H8 | 3.2° | 0.0° |
| H92C | C9 | C10 | H101 | 0.0° | 0.0° |
| H92C | C9 | C10 | H102 | 141.0° | 145.0° |
| H92C | C9 | C8 | H8 | 144.1° | 145.1° |
| H101 | C10 | C8 | H8 | 144.1° | 145.0° |
| H102 | C10 | C8 | H8 | 3.1° | 0.1° |
| H8 | C8 | C7 | H71C | 85.2° | 90.7° |
| H8 | C8 | C7 | H72C | 156.3° | 149.3° |
| H31C | C3 | C4 | H41C | 96.5° | 98.5° |
| H31C | C3 | C4 | H42C | 24.4° | 24.0° |
| H32C | C3 | C4 | H41C | 24.3° | 23.7° |
| H32C | C3 | C4 | H42C | 145.3° | 146.2° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
