5GL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | C4 | sing | 1.51Å | 1.51Å | |
| S | C5 | sing | 1.76Å | 1.75Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | |
| C4 | C3 | doub | 1.35Å | 1.36Å | |
| C5 | N1 | doub | 1.33Å | 1.31Å | |
| C12 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | N | sing | 1.37Å | 1.39Å | |
| N1 | C6 | sing | 1.33Å | 1.36Å | |
| N | C6 | sing | 1.35Å | 1.41Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C6 | O | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| S | C7 | sing | 1.81Å | 11.28Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C7 | C9 | sing | 1.53Å | 0.00Å | |
| C7 | H1 | sing | 1.09Å | 0.00Å | |
| C8 | H15 | sing | 1.09Å | 0.00Å | |
| C8 | H16 | sing | 1.09Å | 0.00Å | |
| C8 | H17 | sing | 1.09Å | 0.00Å | |
| C9 | H18 | sing | 1.09Å | 0.00Å | |
| C9 | H19 | sing | 1.09Å | 0.00Å | |
| C9 | H20 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C4 | 104.0° | 105.0° |
| C10 | C11 | C12 | 107.8° | 101.9° |
| C11 | C10 | H2 | 110.8° | 110.3° |
| C11 | C10 | H3 | 110.9° | 110.3° |
| C10 | C11 | H4 | 109.9° | 111.0° |
| C10 | C11 | H5 | 109.9° | 110.9° |
| C10 | C4 | C5 | 131.6° | 130.7° |
| C10 | C4 | C3 | 110.1° | 110.3° |
| C4 | C10 | H2 | 110.8° | 110.4° |
| C4 | C10 | H3 | 110.8° | 110.4° |
| S | C5 | C4 | 117.8° | 120.1° |
| S | C5 | N1 | 120.2° | 120.2° |
| C5 | S | C7 | 94.5° | 100.0° |
| C11 | C12 | C3 | 102.8° | 105.0° |
| C12 | C11 | H4 | 109.9° | 110.9° |
| C12 | C11 | H5 | 109.9° | 110.9° |
| C11 | C12 | H6 | 111.1° | 110.4° |
| C11 | C12 | H7 | 111.1° | 110.3° |
| C5 | C4 | C3 | 118.3° | 119.0° |
| C4 | C5 | N1 | 122.0° | 119.7° |
| C4 | C3 | C12 | 113.0° | 110.2° |
| C4 | C3 | N | 118.7° | 119.1° |
| C5 | N1 | C6 | 121.8° | 120.7° |
| C12 | C3 | N | 128.3° | 130.6° |
| C3 | C12 | H6 | 111.1° | 110.5° |
| C3 | C12 | H7 | 111.1° | 110.2° |
| C3 | N | C6 | 121.5° | 120.5° |
| C3 | N | C2 | 120.9° | 119.7° |
| N1 | C6 | N | 117.7° | 121.1° |
| N1 | C6 | O | 122.4° | 119.5° |
| C6 | N | C2 | 117.6° | 119.7° |
| N | C6 | O | 119.9° | 119.5° |
| N | C2 | C1 | 112.8° | 109.5° |
| N | C2 | H8 | 108.6° | 109.4° |
| N | C2 | H9 | 108.6° | 109.5° |
| C2 | C1 | C | 111.4° | 109.4° |
| C1 | C2 | H8 | 108.7° | 109.5° |
| C1 | C2 | H9 | 108.6° | 109.5° |
| C2 | C1 | H10 | 109.0° | 109.4° |
| C2 | C1 | H11 | 109.0° | 109.5° |
| C | C1 | H10 | 109.0° | 109.5° |
| C | C1 | H11 | 109.0° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.4° | 110.4° |
| H4 | C11 | H5 | 109.5° | 110.9° |
| H6 | C12 | H7 | 109.4° | 110.3° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| S | C7 | C8 | 90.0° | 109.5° |
| S | C7 | C9 | 90.0° | 109.5° |
| S | C7 | H1 | 90.0° | 109.5° |
| C8 | C7 | C9 | 90.0° | 109.5° |
| C8 | C7 | H1 | 90.0° | 109.5° |
| C7 | C8 | H15 | 90.0° | 109.5° |
| C7 | C8 | H16 | 90.0° | 109.5° |
| C7 | C8 | H17 | 90.0° | 109.4° |
| C9 | C7 | H1 | 90.0° | 109.4° |
| C7 | C9 | H18 | 90.0° | 109.5° |
| C7 | C9 | H19 | 90.0° | 109.5° |
| C7 | C9 | H20 | 90.0° | 109.5° |
| H15 | C8 | H16 | 90.0° | 109.4° |
| H15 | C8 | H17 | 90.0° | 109.5° |
| H16 | C8 | H17 | 90.0° | 109.5° |
| H18 | C9 | H19 | 90.0° | 109.4° |
| H18 | C9 | H20 | 90.0° | 109.5° |
| H19 | C9 | H20 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C4 | H2 | 119.1° | 118.9° |
| C11 | C10 | C4 | H3 | 119.2° | 118.9° |
| C10 | C11 | C12 | H4 | 119.8° | 118.2° |
| C10 | C11 | C12 | H5 | 119.7° | 118.2° |
| C11 | C10 | C4 | C5 | 169.8° | 163.2° |
| C11 | C10 | C4 | C3 | 9.7° | 16.6° |
| C10 | C11 | C12 | C3 | 14.2° | 25.9° |
| C11 | C10 | H2 | H3 | 122.6° | 122.1° |
| C10 | C11 | H4 | H5 | 120.7° | 123.8° |
| C10 | C11 | C12 | H6 | 133.2° | 93.2° |
| C10 | C11 | C12 | H7 | 104.7° | 144.6° |
| C10 | C4 | C5 | S | 1.9° | 0.3° |
| C4 | C10 | C11 | C12 | 14.8° | 25.7° |
| C10 | C4 | C5 | C3 | 179.5° | 179.8° |
| C10 | C4 | C5 | N1 | 178.8° | 179.7° |
| C10 | C4 | C3 | C12 | 0.8° | 0.4° |
| C10 | C4 | C3 | N | 179.7° | 179.7° |
| C4 | C10 | H2 | H3 | 122.5° | 122.3° |
| C4 | C10 | C11 | H4 | 104.9° | 143.8° |
| C4 | C10 | C11 | H5 | 134.6° | 92.5° |
| S | C5 | C4 | N1 | 179.3° | 179.9° |
| S | C5 | C4 | C3 | 178.6° | 180.0° |
| S | C5 | N1 | C6 | 178.6° | 180.0° |
| C5 | S | C7 | C8 | 90.0° | 65.0° |
| C5 | S | C7 | C9 | 90.0° | 175.0° |
| C5 | S | C7 | H1 | 90.0° | 55.0° |
| C11 | C12 | C3 | C4 | 8.5° | 17.3° |
| C11 | C12 | C3 | H6 | 119.0° | 119.0° |
| C11 | C12 | C3 | H7 | 118.9° | 118.8° |
| C11 | C12 | C3 | N | 170.3° | 162.8° |
| C12 | C11 | C10 | H2 | 104.3° | 93.2° |
| C12 | C11 | C10 | H3 | 134.0° | 144.6° |
| C12 | C11 | H4 | H5 | 120.8° | 123.7° |
| C11 | C12 | H6 | H7 | 123.1° | 122.2° |
| C5 | C4 | C3 | C12 | 178.8° | 179.7° |
| C5 | C4 | C3 | N | 0.1° | 0.1° |
| C4 | C5 | N1 | C6 | 0.7° | 0.0° |
| C5 | C4 | C10 | H2 | 71.1° | 78.0° |
| C5 | C4 | C10 | H3 | 50.6° | 44.3° |
| C4 | C5 | S | C7 | 37.0° | 179.9° |
| C3 | C4 | C5 | N1 | 0.7° | 0.1° |
| C4 | C3 | C12 | N | 178.8° | 179.9° |
| C4 | C3 | N | C6 | 0.9° | 0.1° |
| C4 | C3 | N | C2 | 177.1° | 179.9° |
| C3 | C4 | C10 | H2 | 109.4° | 102.2° |
| C3 | C4 | C10 | H3 | 128.9° | 135.5° |
| C4 | C3 | C12 | H6 | 127.5° | 101.7° |
| C4 | C3 | C12 | H7 | 110.4° | 136.1° |
| C5 | N1 | C6 | N | 0.1° | 0.0° |
| C5 | N1 | C6 | O | 179.7° | 180.0° |
| N1 | C5 | S | C7 | 142.3° | 0.0° |
| C12 | C3 | N | C6 | 177.8° | 179.7° |
| C12 | C3 | N | C2 | 4.2° | 0.2° |
| C3 | C12 | C11 | H4 | 105.5° | 144.1° |
| C3 | C12 | C11 | H5 | 134.0° | 92.2° |
| C3 | C12 | H6 | H7 | 123.1° | 122.1° |
| C3 | N | C6 | N1 | 0.9° | 0.0° |
| C3 | N | C6 | C2 | 178.1° | 180.0° |
| C3 | N | C6 | O | 178.8° | 179.9° |
| C3 | N | C2 | C1 | 88.6° | 89.9° |
| N | C3 | C12 | H6 | 51.3° | 78.2° |
| N | C3 | C12 | H7 | 70.8° | 44.0° |
| C3 | N | C2 | H8 | 31.9° | 30.1° |
| C3 | N | C2 | H9 | 150.9° | 150.0° |
| N1 | C6 | N | O | 179.8° | 180.0° |
| N1 | C6 | N | C2 | 177.2° | 180.0° |
| C6 | N | C2 | C1 | 93.3° | 90.0° |
| C6 | N | C2 | H8 | 146.2° | 150.0° |
| C6 | N | C2 | H9 | 27.2° | 30.0° |
| C2 | N | C6 | O | 3.1° | 0.0° |
| N | C2 | C1 | H8 | 120.5° | 119.9° |
| N | C2 | C1 | H9 | 120.5° | 120.0° |
| N | C2 | C1 | C | 172.4° | 180.0° |
| N | C2 | H8 | H9 | 118.5° | 120.0° |
| N | C2 | C1 | H10 | 67.3° | 60.0° |
| N | C2 | C1 | H11 | 52.1° | 60.0° |
| C2 | C1 | C | H10 | 120.3° | 120.0° |
| C2 | C1 | C | H11 | 120.3° | 120.0° |
| C1 | C2 | H8 | H9 | 118.5° | 120.1° |
| C2 | C1 | H10 | H11 | 119.1° | 120.0° |
| C2 | C1 | C | H12 | 180.0° | 180.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 51.9° | 60.0° |
| C | C1 | C2 | H9 | 67.1° | 60.0° |
| C | C1 | H10 | H11 | 119.1° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| H2 | C10 | C11 | H4 | 136.0° | 24.9° |
| H2 | C10 | C11 | H5 | 15.5° | 148.6° |
| H3 | C10 | C11 | H4 | 14.2° | 97.3° |
| H3 | C10 | C11 | H5 | 106.3° | 26.4° |
| H4 | C11 | C12 | H6 | 13.4° | 25.0° |
| H4 | C11 | C12 | H7 | 135.5° | 97.2° |
| H5 | C11 | C12 | H6 | 107.1° | 148.6° |
| H5 | C11 | C12 | H7 | 15.0° | 26.4° |
| H8 | C2 | C1 | H10 | 172.2° | 180.0° |
| H8 | C2 | C1 | H11 | 68.4° | 59.9° |
| H9 | C2 | C1 | H10 | 53.2° | 60.0° |
| H9 | C2 | C1 | H11 | 172.6° | 180.0° |
| H10 | C1 | C | H12 | 59.7° | 60.0° |
| H10 | C1 | C | H13 | 179.7° | 180.0° |
| H10 | C1 | C | H14 | 60.3° | 59.9° |
| H11 | C1 | C | H12 | 59.7° | 60.0° |
| H11 | C1 | C | H13 | 60.3° | 59.9° |
| H11 | C1 | C | H14 | 179.7° | 180.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
| S | C7 | C8 | C9 | 90.0° | 120.0° |
| S | C7 | C8 | H1 | 90.0° | 120.0° |
| S | C7 | C9 | H1 | 90.0° | 120.0° |
| S | C7 | C8 | H15 | 90.0° | 180.0° |
| S | C7 | C8 | H16 | 90.0° | 60.0° |
| S | C7 | C8 | H17 | 90.0° | 60.0° |
| S | C7 | C9 | H18 | 90.0° | 60.0° |
| S | C7 | C9 | H19 | 90.0° | 180.0° |
| S | C7 | C9 | H20 | 90.0° | 60.0° |
| C8 | C7 | C9 | H1 | 90.0° | 120.0° |
| C7 | C8 | H15 | H16 | 90.0° | 120.0° |
| C7 | C8 | H15 | H17 | 90.0° | 120.0° |
| C7 | C8 | H16 | H17 | 90.0° | 120.0° |
| C8 | C7 | C9 | H18 | 90.0° | 180.0° |
| C8 | C7 | C9 | H19 | 90.0° | 60.0° |
| C8 | C7 | C9 | H20 | 90.0° | 60.0° |
| C9 | C7 | C8 | H15 | 90.0° | 60.0° |
| C9 | C7 | C8 | H16 | 90.0° | 180.0° |
| C9 | C7 | C8 | H17 | 90.0° | 60.0° |
| C7 | C9 | H18 | H19 | 90.0° | 120.0° |
| C7 | C9 | H18 | H20 | 90.0° | 120.0° |
| C7 | C9 | H19 | H20 | 90.0° | 120.0° |
| H1 | C7 | C8 | H15 | 90.0° | 59.9° |
| H1 | C7 | C8 | H16 | 90.0° | 60.0° |
| H1 | C7 | C8 | H17 | 90.0° | 180.0° |
| H1 | C7 | C9 | H18 | 90.0° | 60.0° |
| H1 | C7 | C9 | H19 | 90.0° | 60.0° |
| H1 | C7 | C9 | H20 | 90.0° | 180.0° |
| H15 | C8 | H16 | H17 | 90.0° | 120.1° |
| H18 | C9 | H19 | H20 | 90.0° | 120.0° |
