8E7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | S01 | sing | 1.81Å | 1.82Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | N04 | sing | 1.47Å | 1.45Å | |
| N04 | C05 | sing | 1.47Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| S01 | H12 | sing | 1.34Å | 1.30Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| N04 | H17 | sing | 1.01Å | 1.00Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S01 | C02 | C03 | 109.0° | 109.5° |
| C02 | S01 | H12 | 102.0° | 103.0° |
| S01 | C02 | H13 | 109.6° | 109.5° |
| S01 | C02 | H14 | 109.6° | 109.5° |
| C02 | C03 | N04 | 110.7° | 109.5° |
| C03 | C02 | H13 | 109.6° | 109.5° |
| C03 | C02 | H14 | 109.6° | 109.4° |
| C02 | C03 | H15 | 109.2° | 109.5° |
| C02 | C03 | H16 | 109.2° | 109.5° |
| C03 | N04 | C05 | 108.6° | 111.0° |
| N04 | C03 | H15 | 109.2° | 109.4° |
| N04 | C03 | H16 | 109.2° | 109.4° |
| C03 | N04 | H17 | 109.7° | 111.0° |
| N04 | C05 | C06 | 109.8° | 109.5° |
| C05 | N04 | H17 | 109.7° | 111.0° |
| N04 | C05 | H19 | 109.4° | 109.4° |
| N04 | C05 | H20 | 109.4° | 109.5° |
| C05 | C06 | C07 | 112.0° | 109.4° |
| C06 | C05 | H19 | 109.4° | 109.5° |
| C06 | C05 | H20 | 109.4° | 109.5° |
| C05 | C06 | H21 | 108.8° | 109.4° |
| C05 | C06 | H22 | 108.8° | 109.4° |
| C14 | C13 | C12 | 110.9° | 109.4° |
| C13 | C14 | H1 | 109.5° | 109.4° |
| C13 | C14 | H2 | 109.4° | 109.4° |
| C13 | C14 | H3 | 109.5° | 109.4° |
| C14 | C13 | H4 | 109.1° | 109.4° |
| C14 | C13 | H5 | 109.1° | 109.5° |
| C13 | C12 | C11 | 112.3° | 109.4° |
| C12 | C13 | H4 | 109.1° | 109.5° |
| C12 | C13 | H5 | 109.1° | 109.5° |
| C13 | C12 | H6 | 108.8° | 109.5° |
| C13 | C12 | H7 | 108.8° | 109.5° |
| C06 | C07 | C08 | 109.8° | 109.4° |
| C07 | C06 | H21 | 108.8° | 109.5° |
| C07 | C06 | H22 | 108.8° | 109.5° |
| C06 | C07 | H23 | 109.4° | 109.5° |
| C06 | C07 | H24 | 109.4° | 109.5° |
| C12 | C11 | C10 | 111.8° | 109.5° |
| C11 | C12 | H6 | 108.8° | 109.4° |
| C11 | C12 | H7 | 108.8° | 109.5° |
| C12 | C11 | H8 | 108.9° | 109.4° |
| C12 | C11 | H9 | 108.9° | 109.4° |
| C11 | C10 | C09 | 111.4° | 109.5° |
| C10 | C11 | H8 | 108.9° | 109.5° |
| C10 | C11 | H9 | 108.9° | 109.5° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| C11 | C10 | H11 | 109.0° | 109.5° |
| C07 | C08 | C09 | 112.9° | 109.5° |
| C08 | C07 | H23 | 109.4° | 109.5° |
| C08 | C07 | H24 | 109.4° | 109.5° |
| C07 | C08 | H25 | 108.6° | 109.5° |
| C07 | C08 | H26 | 108.6° | 109.4° |
| C08 | C09 | C10 | 110.5° | 109.5° |
| C09 | C08 | H25 | 108.6° | 109.5° |
| C09 | C08 | H26 | 108.6° | 109.5° |
| C08 | C09 | H27 | 109.2° | 109.5° |
| C08 | C09 | H28 | 109.2° | 109.5° |
| C09 | C10 | H10 | 109.0° | 109.4° |
| C09 | C10 | H11 | 109.0° | 109.4° |
| C10 | C09 | H27 | 109.2° | 109.4° |
| C10 | C09 | H28 | 109.2° | 109.5° |
| H1 | C14 | H2 | 109.4° | 109.5° |
| H1 | C14 | H3 | 109.4° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H13 | C02 | H14 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.4° | 109.5° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H21 | C06 | H22 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.4° | 109.5° |
| H25 | C08 | H26 | 109.5° | 109.5° |
| H27 | C09 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S01 | C02 | C03 | H13 | 119.9° | 120.0° |
| S01 | C02 | C03 | H14 | 119.9° | 120.0° |
| S01 | C02 | C03 | N04 | 117.5° | 180.0° |
| S01 | C02 | H13 | H14 | 120.2° | 120.0° |
| S01 | C02 | C03 | H15 | 2.7° | 60.0° |
| S01 | C02 | C03 | H16 | 122.3° | 60.0° |
| C02 | C03 | N04 | H15 | 120.2° | 120.0° |
| C02 | C03 | N04 | H16 | 120.2° | 120.0° |
| C02 | C03 | N04 | C05 | 112.5° | 180.0° |
| C03 | C02 | S01 | H12 | 180.0° | 180.0° |
| C03 | C02 | H13 | H14 | 120.3° | 120.0° |
| C02 | C03 | H15 | H16 | 119.4° | 120.1° |
| C02 | C03 | N04 | H17 | 127.6° | 56.0° |
| C03 | N04 | C05 | H17 | 119.9° | 123.9° |
| C03 | N04 | C05 | C06 | 76.9° | 180.0° |
| N04 | C03 | C02 | H13 | 122.6° | 60.0° |
| N04 | C03 | C02 | H14 | 2.4° | 60.0° |
| N04 | C03 | H15 | H16 | 119.5° | 120.0° |
| C03 | N04 | C05 | H19 | 163.1° | 60.0° |
| C03 | N04 | C05 | H20 | 43.1° | 60.0° |
| N04 | C05 | C06 | H19 | 120.0° | 120.0° |
| N04 | C05 | C06 | H20 | 120.1° | 120.1° |
| N04 | C05 | C06 | C07 | 102.9° | 180.0° |
| C05 | N04 | C03 | H15 | 7.7° | 60.0° |
| C05 | N04 | C03 | H16 | 127.3° | 60.0° |
| N04 | C05 | H19 | H20 | 119.9° | 120.1° |
| N04 | C05 | C06 | H21 | 136.7° | 60.0° |
| N04 | C05 | C06 | H22 | 17.5° | 60.0° |
| C05 | C06 | C07 | H21 | 120.4° | 120.0° |
| C05 | C06 | C07 | H22 | 120.4° | 119.9° |
| C05 | C06 | C07 | C08 | 86.7° | 180.0° |
| C06 | C05 | N04 | H17 | 43.0° | 56.1° |
| C06 | C05 | H19 | H20 | 119.8° | 120.0° |
| C05 | C06 | H21 | H22 | 118.9° | 119.9° |
| C05 | C06 | C07 | H23 | 33.4° | 60.0° |
| C05 | C06 | C07 | H24 | 153.3° | 60.0° |
| C14 | C13 | C12 | H4 | 120.2° | 120.0° |
| C14 | C13 | C12 | H5 | 120.2° | 120.0° |
| C14 | C13 | C12 | C11 | 127.7° | 180.0° |
| C13 | C14 | H1 | H2 | 120.0° | 119.9° |
| C13 | C14 | H1 | H3 | 120.0° | 119.9° |
| C13 | C14 | H2 | H3 | 120.0° | 120.0° |
| C14 | C13 | H4 | H5 | 119.3° | 120.0° |
| C14 | C13 | C12 | H6 | 7.3° | 60.1° |
| C14 | C13 | C12 | H7 | 111.9° | 60.0° |
| C13 | C12 | C11 | H6 | 120.4° | 120.0° |
| C13 | C12 | C11 | H7 | 120.4° | 120.0° |
| C13 | C12 | C11 | C10 | 140.1° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 60.0° |
| C12 | C13 | C14 | H2 | 60.0° | 60.0° |
| C12 | C13 | C14 | H3 | 60.0° | 180.0° |
| C12 | C13 | H4 | H5 | 119.4° | 120.0° |
| C13 | C12 | H6 | H7 | 118.7° | 120.1° |
| C13 | C12 | C11 | H8 | 99.6° | 60.0° |
| C13 | C12 | C11 | H9 | 19.8° | 60.0° |
| C06 | C07 | C08 | H23 | 120.1° | 120.0° |
| C06 | C07 | C08 | H24 | 120.1° | 120.0° |
| C06 | C07 | C08 | C09 | 160.1° | 180.0° |
| C07 | C06 | C05 | H19 | 17.1° | 60.0° |
| C07 | C06 | C05 | H20 | 137.0° | 60.0° |
| C07 | C06 | H21 | H22 | 118.8° | 120.1° |
| C06 | C07 | H23 | H24 | 119.8° | 120.1° |
| C06 | C07 | C08 | H25 | 39.6° | 60.0° |
| C06 | C07 | C08 | H26 | 79.4° | 60.0° |
| C12 | C11 | C10 | H8 | 120.3° | 120.0° |
| C12 | C11 | C10 | H9 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 120.6° | 180.0° |
| C11 | C12 | C13 | H4 | 112.1° | 60.0° |
| C11 | C12 | C13 | H5 | 7.5° | 60.0° |
| C11 | C12 | H6 | H7 | 118.7° | 120.0° |
| C12 | C11 | H8 | H9 | 119.0° | 119.9° |
| C12 | C11 | C10 | H10 | 119.1° | 60.0° |
| C12 | C11 | C10 | H11 | 0.3° | 60.0° |
| C11 | C10 | C09 | C08 | 47.0° | NaN° |
| C11 | C10 | C09 | H10 | 120.3° | 120.0° |
| C11 | C10 | C09 | H11 | 120.3° | 120.0° |
| C10 | C11 | C12 | H6 | 19.7° | 60.0° |
| C10 | C11 | C12 | H7 | 99.5° | 60.0° |
| C10 | C11 | H8 | H9 | 118.9° | 120.1° |
| C11 | C10 | H10 | H11 | 119.1° | 120.1° |
| C11 | C10 | C09 | H27 | 73.2° | 60.0° |
| C11 | C10 | C09 | H28 | 167.1° | 60.0° |
| C07 | C08 | C09 | H25 | 120.5° | 120.0° |
| C07 | C08 | C09 | H26 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 148.1° | 180.0° |
| C08 | C07 | C06 | H21 | 153.0° | 60.0° |
| C08 | C07 | C06 | H22 | 33.7° | 60.1° |
| C08 | C07 | H23 | H24 | 119.8° | 120.0° |
| C07 | C08 | H25 | H26 | 118.4° | 120.0° |
| C07 | C08 | C09 | H27 | 91.7° | 60.0° |
| C07 | C08 | C09 | H28 | 28.0° | 60.0° |
| C08 | C09 | C10 | H27 | 120.2° | 120.0° |
| C08 | C09 | C10 | H28 | 120.1° | 120.0° |
| C08 | C09 | C10 | H10 | 73.3° | 60.0° |
| C08 | C09 | C10 | H11 | 167.3° | 60.0° |
| C09 | C08 | C07 | H23 | 79.9° | 60.0° |
| C09 | C08 | C07 | H24 | 40.0° | 60.0° |
| C09 | C08 | H25 | H26 | 118.4° | 120.0° |
| C08 | C09 | H27 | H28 | 119.5° | 120.0° |
| C09 | C10 | C11 | H8 | 0.3° | 60.0° |
| C09 | C10 | C11 | H9 | 119.0° | 60.0° |
| C09 | C10 | H10 | H11 | 119.1° | 119.9° |
| C10 | C09 | C08 | H25 | 27.6° | 60.0° |
| C10 | C09 | C08 | H26 | 91.4° | 60.0° |
| C10 | C09 | H27 | H28 | 119.5° | 120.0° |
| H1 | C14 | H2 | H3 | 120.0° | 120.1° |
| H1 | C14 | C13 | H4 | 59.8° | 60.0° |
| H1 | C14 | C13 | H5 | 59.8° | 180.0° |
| H2 | C14 | C13 | H4 | 60.2° | 180.0° |
| H2 | C14 | C13 | H5 | 179.8° | 60.0° |
| H3 | C14 | C13 | H4 | 179.8° | 60.0° |
| H3 | C14 | C13 | H5 | 60.2° | 60.0° |
| H4 | C13 | C12 | H6 | 127.5° | 180.0° |
| H4 | C13 | C12 | H7 | 8.3° | 59.9° |
| H5 | C13 | C12 | H6 | 113.0° | 59.9° |
| H5 | C13 | C12 | H7 | 127.9° | 180.0° |
| H6 | C12 | C11 | H8 | 140.0° | 180.0° |
| H6 | C12 | C11 | H9 | 100.7° | 60.0° |
| H7 | C12 | C11 | H8 | 20.9° | 60.0° |
| H7 | C12 | C11 | H9 | 140.2° | 180.0° |
| H8 | C11 | C10 | H10 | 120.5° | NaN° |
| H8 | C11 | C10 | H11 | 120.0° | 59.9° |
| H9 | C11 | C10 | H10 | 1.2° | 59.9° |
| H9 | C11 | C10 | H11 | 120.7° | NaN° |
| H10 | C10 | C09 | H27 | 166.5° | 180.0° |
| H10 | C10 | C09 | H28 | 46.9° | 60.1° |
| H11 | C10 | C09 | H27 | 47.1° | 60.0° |
| H11 | C10 | C09 | H28 | 72.6° | 180.0° |
| H12 | S01 | C02 | H13 | 60.1° | 60.0° |
| H12 | S01 | C02 | H14 | 60.1° | 60.1° |
| H13 | C02 | C03 | H15 | 117.2° | 179.9° |
| H13 | C02 | C03 | H16 | 2.4° | 60.0° |
| H14 | C02 | C03 | H15 | 122.6° | 59.9° |
| H14 | C02 | C03 | H16 | 117.8° | 180.0° |
| H15 | C03 | N04 | H17 | 112.2° | 176.0° |
| H16 | C03 | N04 | H17 | 7.4° | 64.0° |
| H17 | N04 | C05 | H19 | 77.1° | 176.0° |
| H17 | N04 | C05 | H20 | 163.0° | 63.9° |
| H19 | C05 | C06 | H21 | 103.2° | 180.0° |
| H19 | C05 | C06 | H22 | 137.5° | 60.0° |
| H20 | C05 | C06 | H21 | 16.7° | 60.1° |
| H20 | C05 | C06 | H22 | 102.6° | 179.9° |
| H21 | C06 | C07 | H23 | 86.9° | 180.0° |
| H21 | C06 | C07 | H24 | 32.9° | 59.9° |
| H22 | C06 | C07 | H23 | 153.8° | 59.9° |
| H22 | C06 | C07 | H24 | 86.4° | 179.9° |
| H23 | C07 | C08 | H25 | 159.6° | NaN° |
| H23 | C07 | C08 | H26 | 40.7° | 60.0° |
| H24 | C07 | C08 | H25 | 80.5° | 60.0° |
| H24 | C07 | C08 | H26 | 160.5° | 180.0° |
| H25 | C08 | C09 | H27 | 147.8° | 60.0° |
| H25 | C08 | C09 | H28 | 92.5° | 180.0° |
| H26 | C08 | C09 | H27 | 28.8° | NaN° |
| H26 | C08 | C09 | H28 | 148.5° | 60.0° |
