8G5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C6 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C3 | sing | 1.54Å | 1.50Å | |
| C6 | O1 | sing | 1.45Å | 1.49Å | |
| C3 | C4 | sing | 1.55Å | 1.49Å | |
| C3 | C1 | sing | 1.51Å | 1.47Å | |
| C | C1 | doub | 1.33Å | 1.35Å | Aromatic |
| C | S | sing | 1.76Å | 1.72Å | Aromatic |
| O1 | C5 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | sing | 1.52Å | 1.48Å | |
| C1 | N | sing | 1.32Å | 1.39Å | Aromatic |
| C5 | O | doub | 1.21Å | 1.21Å | |
| S | C2 | sing | 1.71Å | 1.74Å | Aromatic |
| N | C2 | doub | 1.30Å | 1.31Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.34Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 110.9° | 109.5° |
| C9 | C10 | C11 | 110.8° | 109.4° |
| C10 | C9 | H11 | 109.1° | 109.5° |
| C10 | C9 | H10 | 109.1° | 109.5° |
| C9 | C10 | H13 | 109.1° | 109.5° |
| C9 | C10 | H12 | 109.1° | 109.4° |
| C9 | C8 | C7 | 111.2° | 109.4° |
| C9 | C8 | H8 | 109.0° | 109.5° |
| C9 | C8 | H9 | 109.1° | 109.5° |
| C8 | C9 | H11 | 109.1° | 109.5° |
| C8 | C9 | H10 | 109.1° | 109.4° |
| C10 | C11 | C6 | 111.2° | 109.5° |
| C11 | C10 | H13 | 109.1° | 109.5° |
| C11 | C10 | H12 | 109.2° | 109.4° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.4° |
| C11 | C6 | C7 | 111.3° | 110.3° |
| C11 | C6 | C3 | 116.6° | 109.7° |
| C11 | C6 | O1 | 107.8° | 110.2° |
| C6 | C11 | H14 | 109.1° | 109.5° |
| C6 | C11 | H15 | 109.0° | 109.5° |
| C8 | C7 | C6 | 111.6° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.4° |
| C8 | C7 | H6 | 108.9° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H9 | 109.0° | 109.4° |
| C7 | C6 | C3 | 114.5° | 109.7° |
| C7 | C6 | O1 | 105.9° | 110.3° |
| C6 | C7 | H7 | 108.9° | 109.5° |
| C6 | C7 | H6 | 108.9° | 109.5° |
| C3 | C6 | O1 | 99.2° | 106.6° |
| C6 | C3 | C4 | 102.2° | 103.0° |
| C6 | C3 | C1 | 125.3° | 110.7° |
| C6 | C3 | H | 101.6° | 110.7° |
| C6 | O1 | C5 | 109.5° | 109.6° |
| C4 | C3 | C1 | 120.2° | 110.7° |
| C3 | C4 | C5 | 99.8° | 103.5° |
| C3 | C4 | H4 | 111.8° | 110.6° |
| C3 | C4 | H5 | 111.8° | 110.7° |
| C4 | C3 | H | 101.7° | 110.8° |
| C3 | C1 | C | 127.9° | 122.7° |
| C3 | C1 | N | 116.9° | 122.7° |
| C1 | C3 | H | 101.9° | 110.7° |
| C1 | C | S | 111.1° | 108.1° |
| C | C1 | N | 114.9° | 114.6° |
| C1 | C | H1 | 124.5° | 125.9° |
| C | S | C2 | 88.6° | 90.3° |
| S | C | H1 | 124.5° | 125.9° |
| O1 | C5 | C4 | 108.7° | 107.2° |
| O1 | C5 | O | 121.1° | 126.4° |
| C4 | C5 | O | 129.6° | 126.4° |
| C5 | C4 | H4 | 111.8° | 110.7° |
| C5 | C4 | H5 | 111.8° | 110.6° |
| C1 | N | C2 | 110.7° | 116.9° |
| S | C2 | N | 114.7° | 110.1° |
| S | C2 | N1 | 120.8° | 124.9° |
| N | C2 | N1 | 124.5° | 125.0° |
| C2 | N1 | H3 | 109.5° | 119.9° |
| C2 | N1 | H2 | 109.4° | 120.0° |
| H4 | C4 | H5 | 109.5° | 110.6° |
| H3 | N1 | H2 | 109.5° | 120.0° |
| H7 | C7 | H6 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 109.6° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H11 | 120.2° | 120.0° |
| C10 | C9 | C8 | H10 | 120.2° | 120.0° |
| C9 | C10 | C11 | H13 | 120.2° | 120.0° |
| C9 | C10 | C11 | H12 | 120.2° | 119.9° |
| C9 | C10 | C11 | C6 | 56.5° | 59.5° |
| C10 | C9 | C8 | C7 | 56.3° | 60.3° |
| C10 | C9 | C8 | H8 | 176.6° | 59.7° |
| C10 | C9 | C8 | H9 | 64.0° | 179.7° |
| C10 | C9 | H11 | H10 | 119.3° | 120.0° |
| C9 | C10 | H13 | H12 | 119.4° | 120.0° |
| C9 | C10 | C11 | H14 | 176.8° | 60.5° |
| C9 | C10 | C11 | H15 | 63.7° | 179.5° |
| C8 | C9 | C10 | C11 | 57.1° | 60.3° |
| C9 | C8 | C7 | H8 | 120.3° | 120.0° |
| C9 | C8 | C7 | H9 | 120.3° | 120.0° |
| C9 | C8 | C7 | C6 | 54.7° | 59.5° |
| C9 | C8 | C7 | H7 | 65.6° | 179.5° |
| C9 | C8 | C7 | H6 | 175.0° | 60.6° |
| C9 | C8 | H8 | H9 | 119.2° | 120.1° |
| C8 | C9 | H11 | H10 | 119.3° | 120.0° |
| C8 | C9 | C10 | H13 | 63.1° | 59.6° |
| C8 | C9 | C10 | H12 | 177.3° | 179.7° |
| C10 | C11 | C6 | H14 | 120.3° | 120.1° |
| C10 | C11 | C6 | H15 | 120.2° | 119.9° |
| C10 | C11 | C6 | C7 | 54.8° | 59.2° |
| C10 | C11 | C6 | C3 | 171.3° | 179.9° |
| C10 | C11 | C6 | O1 | 60.9° | 62.8° |
| C11 | C10 | C9 | H11 | 63.1° | 179.7° |
| C11 | C10 | C9 | H10 | 177.3° | 59.6° |
| C11 | C10 | H13 | H12 | 119.4° | 120.0° |
| C10 | C11 | H14 | H15 | 119.2° | 119.9° |
| C11 | C6 | C7 | C8 | 54.1° | 59.2° |
| C11 | C6 | C7 | C3 | 134.9° | 120.9° |
| C11 | C6 | C7 | O1 | 116.9° | 122.0° |
| C11 | C6 | C3 | O1 | 115.3° | 119.4° |
| C11 | C6 | C3 | C4 | 73.2° | 118.4° |
| C11 | C6 | C3 | C1 | 145.4° | 123.2° |
| C11 | C6 | O1 | C5 | 96.4° | 98.0° |
| C11 | C6 | C7 | H7 | 66.3° | 179.2° |
| C11 | C6 | C7 | H6 | 174.4° | 60.9° |
| C6 | C11 | C10 | H13 | 63.7° | 60.5° |
| C6 | C11 | C10 | H12 | 176.7° | 179.4° |
| C6 | C11 | H14 | H15 | 119.2° | 120.0° |
| C11 | C6 | C3 | H | 31.6° | 0.0° |
| C8 | C7 | C6 | H7 | 120.3° | 120.0° |
| C8 | C7 | C6 | H6 | 120.3° | 120.1° |
| C8 | C7 | C6 | C3 | 171.1° | 179.9° |
| C8 | C7 | C6 | O1 | 62.8° | 62.8° |
| C8 | C7 | H7 | H6 | 119.0° | 120.0° |
| C7 | C8 | H8 | H9 | 119.2° | 120.0° |
| C7 | C8 | C9 | H11 | 63.9° | 179.6° |
| C7 | C8 | C9 | H10 | 176.5° | 59.7° |
| C7 | C6 | C3 | O1 | 112.3° | 119.4° |
| C7 | C6 | C3 | C4 | 154.4° | 120.3° |
| C7 | C6 | C3 | C1 | 13.0° | 1.9° |
| C7 | C6 | O1 | C5 | 144.5° | 140.0° |
| C6 | C7 | H7 | H6 | 119.0° | 120.0° |
| C6 | C7 | C8 | H8 | 175.0° | 60.5° |
| C6 | C7 | C8 | H9 | 65.6° | 179.5° |
| C7 | C6 | C11 | H14 | 175.1° | 60.9° |
| C7 | C6 | C11 | H15 | 65.4° | 179.1° |
| C7 | C6 | C3 | H | 100.7° | 121.3° |
| C6 | C3 | C4 | C1 | 143.9° | 118.4° |
| C6 | C3 | C4 | H | 104.7° | 118.4° |
| C6 | C3 | C1 | H | 113.6° | 123.2° |
| C6 | C3 | C1 | C | 82.1° | 84.7° |
| C3 | C6 | O1 | C5 | 25.5° | 21.0° |
| C6 | C3 | C4 | C5 | 43.2° | 16.5° |
| C6 | C3 | C1 | N | 91.8° | 95.0° |
| C6 | C3 | C4 | H4 | 75.2° | 102.0° |
| C6 | C3 | C4 | H5 | 161.6° | 135.0° |
| C3 | C6 | C7 | H7 | 68.6° | 59.9° |
| C3 | C6 | C7 | H6 | 50.8° | 60.0° |
| C3 | C6 | C11 | H14 | 51.0° | 60.1° |
| C3 | C6 | C11 | H15 | 68.4° | 59.9° |
| O1 | C6 | C3 | C4 | 42.1° | 0.9° |
| O1 | C6 | C3 | C1 | 99.3° | 117.4° |
| C6 | O1 | C5 | C4 | 1.4° | 32.5° |
| C6 | O1 | C5 | O | 170.7° | 147.5° |
| O1 | C6 | C7 | H7 | 176.9° | 57.2° |
| O1 | C6 | C7 | H6 | 57.5° | 177.1° |
| O1 | C6 | C11 | H14 | 59.4° | 177.2° |
| O1 | C6 | C11 | H15 | 178.9° | 57.2° |
| O1 | C6 | C3 | H | 146.9° | 119.4° |
| C4 | C3 | C1 | H | 111.2° | 123.3° |
| C4 | C3 | C1 | C | 142.8° | 28.8° |
| C3 | C4 | C5 | O1 | 28.0° | 30.5° |
| C3 | C4 | C5 | H4 | 118.4° | 118.5° |
| C3 | C4 | C5 | H5 | 118.4° | 118.6° |
| C4 | C3 | C1 | N | 43.4° | 151.5° |
| C3 | C4 | C5 | O | 143.2° | 149.5° |
| C3 | C4 | H4 | H5 | 124.5° | 123.0° |
| C3 | C1 | C | N | 173.9° | 179.7° |
| C3 | C1 | C | S | 173.3° | 179.9° |
| C1 | C3 | C4 | C5 | 100.8° | 134.9° |
| C3 | C1 | N | C2 | 174.4° | 180.0° |
| C1 | C3 | C4 | H4 | 140.9° | 16.3° |
| C1 | C3 | C4 | H5 | 17.6° | 106.6° |
| C3 | C1 | C | H1 | 6.8° | 0.0° |
| C1 | C | S | H1 | 180.0° | 179.9° |
| C1 | C | S | C2 | 0.7° | 0.3° |
| C | C1 | N | C2 | 0.2° | 0.3° |
| C | C1 | C3 | H | 31.5° | 152.1° |
| S | C | C1 | N | 0.7° | 0.4° |
| C | S | C2 | N | 0.6° | 0.1° |
| C | S | C2 | N1 | 177.1° | 179.8° |
| O1 | C5 | C4 | O | 171.3° | 180.0° |
| O1 | C5 | C4 | H4 | 90.4° | 88.0° |
| O1 | C5 | C4 | H5 | 146.4° | 149.1° |
| C5 | C4 | H4 | H5 | 124.6° | 122.9° |
| C5 | C4 | C3 | H | 147.9° | 101.9° |
| C1 | N | C2 | S | 0.3° | 0.1° |
| C1 | N | C2 | N1 | 177.3° | 180.0° |
| N | C1 | C3 | H | 154.6° | 28.2° |
| N | C1 | C | H1 | 179.3° | 179.7° |
| O | C5 | C4 | H4 | 98.4° | 91.9° |
| O | C5 | C4 | H5 | 24.9° | 30.9° |
| S | C2 | N | N1 | 177.6° | 179.9° |
| S | C2 | N1 | H3 | 0.0° | 180.0° |
| S | C2 | N1 | H2 | 120.0° | 0.1° |
| C2 | S | C | H1 | 179.3° | 179.8° |
| N | C2 | N1 | H3 | 177.5° | 0.0° |
| N | C2 | N1 | H2 | 62.5° | 180.0° |
| C2 | N1 | H3 | H2 | 120.0° | 180.0° |
| H4 | C4 | C3 | H | 29.5° | 139.6° |
| H5 | C4 | C3 | H | 93.7° | 16.7° |
| H7 | C7 | C8 | H8 | 54.7° | 59.5° |
| H7 | C7 | C8 | H9 | 174.1° | 60.5° |
| H6 | C7 | C8 | H8 | 64.7° | 179.4° |
| H6 | C7 | C8 | H9 | 54.7° | 59.4° |
| H8 | C8 | C9 | H11 | 56.3° | 60.4° |
| H8 | C8 | C9 | H10 | 63.2° | 179.7° |
| H9 | C8 | C9 | H11 | 175.8° | 59.7° |
| H9 | C8 | C9 | H10 | 56.3° | 60.3° |
| H11 | C9 | C10 | H13 | 176.7° | 60.4° |
| H11 | C9 | C10 | H12 | 57.1° | 59.7° |
| H10 | C9 | C10 | H13 | 57.1° | 179.6° |
| H10 | C9 | C10 | H12 | 62.5° | 60.3° |
| H13 | C10 | C11 | H14 | 56.6° | 179.5° |
| H13 | C10 | C11 | H15 | 176.1° | 59.5° |
| H12 | C10 | C11 | H14 | 63.0° | 59.4° |
| H12 | C10 | C11 | H15 | 56.5° | 60.6° |
