T7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| N | C1 | sing | 1.35Å | 1.35Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | N | sing | 1.47Å | 1.47Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 119.2° | 120.0° |
| C | C1 | N | 118.6° | 120.0° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| O | C1 | N | 122.2° | 120.0° |
| C1 | N | C2 | 127.0° | 120.7° |
| C1 | N | C6 | 120.6° | 120.6° |
| N | C2 | C3 | 110.1° | 108.8° |
| C2 | N | C6 | 112.3° | 118.7° |
| N | C2 | H2 | 109.3° | 109.6° |
| N | C2 | H3 | 109.3° | 109.6° |
| C2 | C3 | C4 | 110.6° | 109.3° |
| C3 | C2 | H2 | 109.3° | 109.6° |
| C3 | C2 | H3 | 109.3° | 109.7° |
| C2 | C3 | H4 | 109.2° | 109.5° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C3 | C4 | C7 | 112.6° | 109.5° |
| C3 | C4 | H6 | 107.6° | 109.5° |
| C4 | C3 | H4 | 109.2° | 109.5° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C4 | C5 | C6 | 110.2° | 109.3° |
| C5 | C4 | C7 | 111.1° | 109.4° |
| C5 | C4 | H6 | 107.8° | 109.5° |
| C4 | C5 | H7 | 109.3° | 109.5° |
| C4 | C5 | H8 | 109.3° | 109.5° |
| C5 | C6 | N | 109.5° | 108.7° |
| C6 | C5 | H7 | 109.3° | 109.4° |
| C6 | C5 | H8 | 109.3° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.6° |
| C5 | C6 | H10 | 109.5° | 109.6° |
| N | C6 | H9 | 109.5° | 109.6° |
| N | C6 | H10 | 109.5° | 109.5° |
| C4 | C7 | O1 | 119.3° | 120.0° |
| C4 | C7 | N1 | 120.8° | 120.0° |
| C7 | C4 | H6 | 107.9° | 109.4° |
| O1 | C7 | N1 | 119.9° | 120.0° |
| C7 | N1 | C8 | 125.4° | 120.6° |
| C7 | N1 | C12 | 122.1° | 120.6° |
| N1 | C8 | C9 | 111.1° | 108.8° |
| C8 | N1 | C12 | 112.4° | 118.7° |
| N1 | C8 | H12 | 109.1° | 109.6° |
| N1 | C8 | H11 | 109.0° | 109.5° |
| C8 | C9 | C10 | 109.8° | 109.3° |
| C9 | C8 | H12 | 109.1° | 109.6° |
| C9 | C8 | H11 | 109.1° | 109.7° |
| C8 | C9 | H14 | 109.4° | 109.5° |
| C8 | C9 | H13 | 109.4° | 109.5° |
| C9 | C10 | C11 | 109.6° | 109.5° |
| C9 | C10 | H15 | 109.4° | 109.5° |
| C9 | C10 | H16 | 109.4° | 109.5° |
| C10 | C9 | H14 | 109.4° | 109.5° |
| C10 | C9 | H13 | 109.4° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.3° |
| C11 | C10 | H15 | 109.5° | 109.5° |
| C11 | C10 | H16 | 109.5° | 109.4° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| C10 | C11 | H17 | 108.8° | 109.5° |
| C11 | C12 | N1 | 112.0° | 108.8° |
| C12 | C11 | H18 | 108.8° | 109.5° |
| C12 | C11 | H17 | 108.9° | 109.5° |
| C11 | C12 | H20 | 108.8° | 109.6° |
| C11 | C12 | H19 | 108.8° | 109.5° |
| N1 | C12 | H20 | 108.8° | 109.6° |
| N1 | C12 | H19 | 108.8° | 109.6° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.7° |
| H12 | C8 | H11 | 109.5° | 109.6° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H | C | H21 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H21 | C | H1 | 109.5° | 109.5° |
| H18 | C11 | H17 | 109.5° | 109.4° |
| H20 | C12 | H19 | 109.5° | 109.7° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H14 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 179.8° | 180.0° |
| C | C1 | N | C2 | 4.6° | 175.0° |
| C | C1 | N | C6 | 178.3° | 5.0° |
| C1 | C | H | H21 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H21 | H1 | 120.0° | 120.0° |
| O | C1 | N | C2 | 175.6° | 5.0° |
| O | C1 | N | C6 | 1.5° | 175.0° |
| O | C1 | C | H | 0.0° | 174.7° |
| O | C1 | C | H21 | 120.0° | 65.3° |
| O | C1 | C | H1 | 120.0° | 54.7° |
| C1 | N | C2 | C6 | 177.3° | 179.9° |
| C1 | N | C2 | C3 | 118.2° | 126.4° |
| C1 | N | C6 | C5 | 116.9° | 126.4° |
| C1 | N | C6 | H9 | 123.1° | 113.8° |
| C1 | N | C6 | H10 | 3.1° | 6.7° |
| N | C1 | C | H | 179.8° | 5.3° |
| N | C1 | C | H21 | 60.2° | 114.7° |
| N | C1 | C | H1 | 59.8° | 125.3° |
| C1 | N | C2 | H2 | 121.7° | 113.8° |
| C1 | N | C2 | H3 | 1.9° | 6.5° |
| N | C2 | C3 | H2 | 120.1° | 119.9° |
| N | C2 | C3 | H3 | 120.1° | 119.8° |
| N | C2 | C3 | C4 | 55.7° | 54.7° |
| C2 | N | C6 | C5 | 60.6° | 53.7° |
| C2 | N | C6 | H9 | 59.4° | 66.1° |
| C2 | N | C6 | H10 | 179.4° | 173.4° |
| N | C2 | H2 | H3 | 119.8° | 120.3° |
| N | C2 | C3 | H4 | 175.9° | 65.2° |
| N | C2 | C3 | H5 | 64.5° | 174.6° |
| C2 | C3 | C4 | H4 | 120.2° | 120.0° |
| C2 | C3 | C4 | H5 | 120.2° | 120.0° |
| C2 | C3 | C4 | C5 | 55.1° | 61.4° |
| C3 | C2 | N | C6 | 59.1° | 53.7° |
| C2 | C3 | C4 | C7 | 179.3° | 178.6° |
| C2 | C3 | C4 | H6 | 61.9° | 58.7° |
| C3 | C2 | H2 | H3 | 119.7° | 120.4° |
| C2 | C3 | H4 | H5 | 119.5° | 120.1° |
| C3 | C4 | C5 | C7 | 125.1° | 120.0° |
| C3 | C4 | C5 | H6 | 116.9° | 120.1° |
| C3 | C4 | C5 | C6 | 56.7° | 61.4° |
| C3 | C4 | C7 | H6 | 118.6° | 120.0° |
| C3 | C4 | C7 | O1 | 69.8° | 34.6° |
| C3 | C4 | C7 | N1 | 111.5° | 145.3° |
| C3 | C4 | C5 | H7 | 176.8° | 178.7° |
| C3 | C4 | C5 | H8 | 63.5° | 58.6° |
| C4 | C3 | C2 | H2 | 64.4° | 65.2° |
| C4 | C3 | C2 | H3 | 175.8° | 174.5° |
| C4 | C3 | H4 | H5 | 119.5° | 120.1° |
| C4 | C5 | C6 | H7 | 120.1° | 120.0° |
| C4 | C5 | C6 | H8 | 120.1° | 120.0° |
| C4 | C5 | C6 | N | 58.9° | 54.7° |
| C5 | C4 | C7 | H6 | 118.0° | 119.9° |
| C5 | C4 | C7 | O1 | 53.6° | 85.5° |
| C5 | C4 | C7 | N1 | 125.1° | 94.6° |
| C4 | C5 | H7 | H8 | 119.7° | 120.1° |
| C4 | C5 | C6 | H9 | 61.1° | 65.1° |
| C4 | C5 | C6 | H10 | 178.9° | 174.4° |
| C5 | C4 | C3 | H4 | 175.3° | 58.6° |
| C5 | C4 | C3 | H5 | 65.1° | 178.6° |
| C5 | C6 | N | H9 | 120.0° | 119.8° |
| C5 | C6 | N | H10 | 120.0° | 119.7° |
| C6 | C5 | C4 | C7 | 178.2° | 178.6° |
| C6 | C5 | C4 | H6 | 60.2° | 58.7° |
| C6 | C5 | H7 | H8 | 119.7° | 120.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.4° |
| N | C6 | C5 | H7 | 179.0° | 174.6° |
| N | C6 | C5 | H8 | 61.2° | 65.4° |
| N | C6 | H9 | H10 | 120.0° | 120.3° |
| C6 | N | C2 | H2 | 61.0° | 66.2° |
| C6 | N | C2 | H3 | 179.2° | 173.6° |
| C4 | C7 | O1 | N1 | 178.8° | 179.9° |
| C4 | C7 | N1 | C8 | 16.5° | 174.5° |
| C4 | C7 | N1 | C12 | 166.1° | 5.8° |
| C7 | C4 | C5 | H7 | 58.1° | 58.7° |
| C7 | C4 | C5 | H8 | 61.6° | 61.4° |
| C7 | C4 | C3 | H4 | 60.5° | 61.4° |
| C7 | C4 | C3 | H5 | 59.1° | 58.6° |
| O1 | C7 | N1 | C8 | 164.7° | 5.4° |
| O1 | C7 | N1 | C12 | 12.6° | 174.3° |
| O1 | C7 | C4 | H6 | 171.6° | 154.6° |
| C7 | N1 | C8 | C12 | 177.6° | 179.7° |
| C7 | N1 | C8 | C9 | 125.0° | 126.1° |
| C7 | N1 | C12 | C11 | 129.1° | 126.1° |
| N1 | C7 | C4 | H6 | 7.2° | 25.3° |
| C7 | N1 | C8 | H12 | 4.8° | 114.1° |
| C7 | N1 | C8 | H11 | 114.7° | 6.1° |
| C7 | N1 | C12 | H20 | 8.7° | 6.3° |
| C7 | N1 | C12 | H19 | 110.6° | 114.1° |
| N1 | C8 | C9 | H12 | 120.2° | 119.8° |
| N1 | C8 | C9 | H11 | 120.2° | 119.8° |
| N1 | C8 | C9 | C10 | 59.3° | 54.6° |
| C8 | N1 | C12 | C11 | 53.2° | 53.6° |
| N1 | C8 | H12 | H11 | 119.2° | 120.2° |
| C8 | N1 | C12 | H20 | 173.6° | 173.3° |
| C8 | N1 | C12 | H19 | 67.1° | 66.2° |
| N1 | C8 | C9 | H14 | 60.7° | 174.6° |
| N1 | C8 | C9 | H13 | 179.4° | 65.3° |
| C8 | C9 | C10 | H14 | 120.1° | 119.9° |
| C8 | C9 | C10 | H13 | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 57.1° | 61.4° |
| C9 | C8 | N1 | C12 | 57.4° | 53.6° |
| C9 | C8 | H12 | H11 | 119.3° | 120.5° |
| C8 | C9 | C10 | H15 | 177.2° | 178.6° |
| C8 | C9 | C10 | H16 | 62.9° | 58.6° |
| C8 | C9 | H14 | H13 | 119.8° | 120.1° |
| C9 | C10 | C11 | H15 | 120.0° | 120.0° |
| C9 | C10 | C11 | H16 | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 53.8° | 61.3° |
| C10 | C9 | C8 | H12 | 179.6° | 65.1° |
| C10 | C9 | C8 | H11 | 60.9° | 174.5° |
| C9 | C10 | H15 | H16 | 119.9° | 120.0° |
| C9 | C10 | C11 | H18 | 66.6° | 178.6° |
| C9 | C10 | C11 | H17 | 174.2° | 58.6° |
| C10 | C9 | H14 | H13 | 119.8° | 120.1° |
| C10 | C11 | C12 | H18 | 120.4° | 120.0° |
| C10 | C11 | C12 | H17 | 120.4° | 120.0° |
| C10 | C11 | C12 | N1 | 51.8° | 54.6° |
| C11 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H18 | H17 | 118.8° | 120.1° |
| C10 | C11 | C12 | H20 | 172.2° | 174.4° |
| C10 | C11 | C12 | H19 | 68.6° | 65.1° |
| C11 | C10 | C9 | H14 | 62.9° | 178.7° |
| C11 | C10 | C9 | H13 | 177.2° | 58.6° |
| C11 | C12 | N1 | H20 | 120.4° | 119.8° |
| C11 | C12 | N1 | H19 | 120.4° | 119.7° |
| C12 | C11 | C10 | H15 | 173.8° | 178.7° |
| C12 | C11 | C10 | H16 | 66.2° | 58.7° |
| C12 | C11 | H18 | H17 | 118.9° | 120.0° |
| C11 | C12 | H20 | H19 | 118.8° | 120.3° |
| C12 | N1 | C8 | H12 | 177.6° | 66.2° |
| C12 | N1 | C8 | H11 | 62.9° | 173.5° |
| N1 | C12 | C11 | H18 | 68.6° | 174.6° |
| N1 | C12 | C11 | H17 | 172.2° | 65.4° |
| N1 | C12 | H20 | H19 | 118.8° | 120.4° |
| H6 | C4 | C5 | H7 | 59.9° | 61.2° |
| H6 | C4 | C5 | H8 | 179.6° | 178.7° |
| H6 | C4 | C3 | H4 | 58.3° | 178.6° |
| H6 | C4 | C3 | H5 | 177.9° | 61.3° |
| H7 | C5 | C6 | H9 | 59.0° | 54.8° |
| H7 | C5 | C6 | H10 | 61.0° | 65.7° |
| H8 | C5 | C6 | H9 | 178.8° | 174.9° |
| H8 | C5 | C6 | H10 | 58.8° | 54.4° |
| H12 | C8 | C9 | H14 | 59.5° | 54.8° |
| H12 | C8 | C9 | H13 | 60.4° | 174.9° |
| H11 | C8 | C9 | H14 | 179.1° | 65.6° |
| H11 | C8 | C9 | H13 | 59.2° | 54.5° |
| H15 | C10 | C11 | H18 | 53.4° | 58.6° |
| H15 | C10 | C11 | H17 | 65.8° | 61.4° |
| H15 | C10 | C9 | H14 | 57.1° | 58.7° |
| H15 | C10 | C9 | H13 | 62.8° | 61.4° |
| H16 | C10 | C11 | H18 | 173.4° | 61.4° |
| H16 | C10 | C11 | H17 | 54.2° | 178.6° |
| H16 | C10 | C9 | H14 | 177.1° | 61.3° |
| H16 | C10 | C9 | H13 | 57.2° | 178.6° |
| H | C | H21 | H1 | 120.0° | 120.0° |
| H18 | C11 | C12 | H20 | 51.8° | 65.6° |
| H18 | C11 | C12 | H19 | 171.0° | 54.9° |
| H17 | C11 | C12 | H20 | 67.5° | 54.4° |
| H17 | C11 | C12 | H19 | 51.8° | 174.9° |
| H2 | C2 | C3 | H4 | 55.8° | 174.9° |
| H2 | C2 | C3 | H5 | 175.4° | 54.8° |
| H3 | C2 | C3 | H4 | 64.0° | 54.6° |
| H3 | C2 | C3 | H5 | 55.6° | 65.5° |
