EP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2S | S | doub | 1.42Å | 1.47Å | |
| S | O3S | doub | 1.42Å | 1.48Å | |
| S | O1S | sing | 1.52Å | 1.48Å | |
| S | C11 | sing | 1.81Å | 1.65Å | |
| O1S | H1S | sing | 0.97Å | 0.95Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | N4 | sing | 1.47Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| N4 | C5 | sing | 1.47Å | 1.49Å | |
| N4 | C7 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | O8 | sing | 1.43Å | 1.41Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2S | S | O3S | 110.4° | 122.0° |
| O2S | S | O1S | 107.9° | 102.8° |
| O2S | S | C11 | 108.4° | 111.6° |
| O3S | S | O1S | 110.4° | 102.8° |
| O3S | S | C11 | 109.9° | 111.7° |
| O1S | S | C11 | 109.8° | 103.2° |
| S | O1S | H1S | 107.9° | 106.8° |
| S | C11 | C10 | 112.9° | 109.5° |
| S | C11 | H111 | 110.9° | 109.5° |
| S | C11 | H112 | 110.9° | 109.4° |
| C10 | C11 | H111 | 111.0° | 109.5° |
| C10 | C11 | H112 | 111.0° | 109.5° |
| C11 | C10 | C9 | 108.1° | 109.5° |
| C11 | C10 | H101 | 112.7° | 109.5° |
| C11 | C10 | H102 | 112.7° | 109.4° |
| H111 | C11 | H112 | 99.4° | 109.4° |
| C9 | C10 | H101 | 112.7° | 109.4° |
| C9 | C10 | H102 | 112.7° | 109.5° |
| C10 | C9 | N1 | 111.4° | 109.5° |
| C10 | C9 | H91 | 111.5° | 109.5° |
| C10 | C9 | H92 | 111.5° | 109.5° |
| H101 | C10 | H102 | 97.7° | 109.5° |
| N1 | C9 | H91 | 111.5° | 109.4° |
| N1 | C9 | H92 | 111.5° | 109.5° |
| C9 | N1 | C2 | 114.8° | 106.7° |
| C9 | N1 | C6 | 118.0° | 106.7° |
| H91 | C9 | H92 | 98.9° | 109.4° |
| C2 | N1 | C6 | 127.2° | 106.9° |
| N1 | C2 | C3 | 115.7° | 109.7° |
| N1 | C2 | H21 | 109.9° | 109.4° |
| N1 | C2 | H22 | 109.9° | 109.4° |
| N1 | C6 | C5 | 116.0° | 109.7° |
| N1 | C6 | H61 | 109.8° | 109.5° |
| N1 | C6 | H62 | 109.8° | 109.4° |
| C3 | C2 | H21 | 110.0° | 109.5° |
| C3 | C2 | H22 | 110.0° | 109.4° |
| C2 | C3 | N4 | 121.1° | 109.7° |
| C2 | C3 | H31 | 108.0° | 109.4° |
| C2 | C3 | H32 | 108.1° | 109.4° |
| H21 | C2 | H22 | 100.3° | 109.3° |
| N4 | C3 | H31 | 108.1° | 109.4° |
| N4 | C3 | H32 | 108.1° | 109.5° |
| C3 | N4 | C5 | 118.9° | 106.9° |
| C3 | N4 | C7 | 109.2° | 106.7° |
| H31 | C3 | H32 | 101.8° | 109.4° |
| C5 | N4 | C7 | 105.6° | 106.7° |
| N4 | C5 | C6 | 121.1° | 109.7° |
| N4 | C5 | H51 | 108.0° | 109.4° |
| N4 | C5 | H52 | 108.0° | 109.5° |
| N4 | C7 | C8 | 114.1° | 109.5° |
| N4 | C7 | H71 | 110.5° | 109.4° |
| N4 | C7 | H72 | 110.5° | 109.4° |
| C6 | C5 | H51 | 108.0° | 109.4° |
| C6 | C5 | H52 | 108.1° | 109.5° |
| C5 | C6 | H61 | 109.8° | 109.4° |
| C5 | C6 | H62 | 109.9° | 109.4° |
| H51 | C5 | H52 | 101.9° | 109.4° |
| H61 | C6 | H62 | 100.4° | 109.5° |
| C8 | C7 | H71 | 110.5° | 109.5° |
| C8 | C7 | H72 | 110.5° | 109.5° |
| C7 | C8 | O8 | 108.7° | 109.5° |
| C7 | C8 | H81 | 112.5° | 109.5° |
| C7 | C8 | H82 | 112.5° | 109.5° |
| H71 | C7 | H72 | 99.8° | 109.5° |
| O8 | C8 | H81 | 112.5° | 109.4° |
| O8 | C8 | H82 | 112.5° | 109.5° |
| C8 | O8 | HO8 | 108.7° | 106.9° |
| H81 | C8 | H82 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2S | S | O3S | O1S | 119.2° | 114.2° |
| O2S | S | O3S | C11 | 119.5° | 135.7° |
| O2S | S | O1S | C11 | 117.9° | 116.2° |
| O2S | S | O1S | H1S | 180.0° | 63.8° |
| O2S | S | C11 | C10 | 178.0° | 70.3° |
| O2S | S | C11 | H111 | 52.7° | 49.8° |
| O2S | S | C11 | H112 | 56.7° | 169.8° |
| O3S | S | O1S | C11 | 121.4° | 116.2° |
| O3S | S | O1S | H1S | 59.3° | 63.8° |
| O3S | S | C11 | C10 | 57.2° | 70.2° |
| O3S | S | C11 | H111 | 68.0° | 169.7° |
| O3S | S | C11 | H112 | 177.5° | 49.8° |
| O1S | S | C11 | C10 | 64.5° | 180.0° |
| O1S | S | C11 | H111 | 170.3° | 59.9° |
| O1S | S | C11 | H112 | 60.8° | 60.0° |
| C11 | S | O1S | H1S | 62.1° | 180.0° |
| S | C11 | C10 | H111 | 125.3° | 120.1° |
| S | C11 | C10 | H112 | 125.3° | 120.0° |
| S | C11 | H111 | H112 | 116.8° | 119.9° |
| S | C11 | C10 | C9 | 134.6° | 180.0° |
| S | C11 | C10 | H101 | 100.1° | 60.0° |
| S | C11 | C10 | H102 | 9.3° | 60.0° |
| C10 | C11 | H111 | H112 | 116.8° | 120.0° |
| C11 | C10 | C9 | H101 | 125.3° | 120.0° |
| C11 | C10 | C9 | H102 | 125.3° | 119.9° |
| C11 | C10 | H101 | H102 | 118.7° | 120.0° |
| C11 | C10 | C9 | N1 | 161.2° | 180.0° |
| C11 | C10 | C9 | H91 | 73.5° | 60.0° |
| C11 | C10 | C9 | H92 | 36.0° | 60.0° |
| H111 | C11 | C10 | C9 | 9.3° | 59.9° |
| H111 | C11 | C10 | H101 | 134.6° | 179.9° |
| H111 | C11 | C10 | H102 | 115.9° | 60.0° |
| H112 | C11 | C10 | C9 | 100.1° | 60.0° |
| H112 | C11 | C10 | H101 | 25.1° | 60.0° |
| H112 | C11 | C10 | H102 | 134.6° | 180.0° |
| C9 | C10 | H101 | H102 | 118.7° | 120.0° |
| C10 | C9 | N1 | H91 | 125.3° | 120.0° |
| C10 | C9 | N1 | H92 | 125.2° | 120.0° |
| C10 | C9 | H91 | H92 | 117.4° | 120.0° |
| C10 | C9 | N1 | C2 | 133.3° | 66.0° |
| C10 | C9 | N1 | C6 | 47.3° | 180.0° |
| H101 | C10 | C9 | N1 | 36.0° | 60.0° |
| H101 | C10 | C9 | H91 | 161.2° | 180.0° |
| H101 | C10 | C9 | H92 | 89.3° | 60.0° |
| H102 | C10 | C9 | N1 | 73.5° | 60.0° |
| H102 | C10 | C9 | H91 | 51.8° | 60.0° |
| H102 | C10 | C9 | H92 | 161.2° | 179.9° |
| N1 | C9 | H91 | H92 | 117.4° | 120.0° |
| C9 | N1 | C2 | C6 | 179.4° | 113.9° |
| C9 | N1 | C2 | C3 | 179.6° | 175.1° |
| C9 | N1 | C2 | H21 | 55.1° | 64.8° |
| C9 | N1 | C2 | H22 | 54.3° | 55.0° |
| C9 | N1 | C6 | C5 | 179.6° | 175.0° |
| C9 | N1 | C6 | H61 | 54.3° | 64.9° |
| C9 | N1 | C6 | H62 | 55.2° | 55.1° |
| H91 | C9 | N1 | C2 | 8.0° | 174.0° |
| H91 | C9 | N1 | C6 | 172.6° | 60.0° |
| H92 | C9 | N1 | C2 | 101.5° | 54.0° |
| H92 | C9 | N1 | C6 | 78.0° | 60.0° |
| N1 | C2 | C3 | H21 | 125.3° | 120.1° |
| N1 | C2 | C3 | H22 | 125.3° | 120.1° |
| N1 | C2 | H21 | H22 | 115.7° | 119.8° |
| N1 | C2 | C3 | N4 | 0.3° | 62.9° |
| N1 | C2 | C3 | H31 | 125.6° | 177.0° |
| N1 | C2 | C3 | H32 | 124.9° | 57.2° |
| C2 | N1 | C6 | C5 | 0.2° | 61.1° |
| C2 | N1 | C6 | H61 | 125.0° | 178.8° |
| C2 | N1 | C6 | H62 | 125.5° | 58.9° |
| C6 | N1 | C2 | C3 | 0.2° | 61.2° |
| C6 | N1 | C2 | H21 | 125.5° | 178.7° |
| C6 | N1 | C2 | H22 | 125.0° | 58.9° |
| N1 | C6 | C5 | N4 | 0.4° | 62.9° |
| N1 | C6 | C5 | H61 | 125.2° | 120.1° |
| N1 | C6 | C5 | H62 | 125.3° | 120.0° |
| N1 | C6 | C5 | H51 | 125.6° | 57.1° |
| N1 | C6 | C5 | H52 | 124.9° | 177.0° |
| N1 | C6 | H61 | H62 | 115.6° | 119.9° |
| C3 | C2 | H21 | H22 | 115.8° | 119.9° |
| C2 | C3 | N4 | H31 | 125.3° | 120.1° |
| C2 | C3 | N4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 113.7° | 119.8° |
| C2 | C3 | N4 | C5 | 0.9° | 61.2° |
| C2 | C3 | N4 | C7 | 120.2° | 175.1° |
| H21 | C2 | C3 | N4 | 124.9° | 176.9° |
| H21 | C2 | C3 | H31 | 0.4° | 56.9° |
| H21 | C2 | C3 | H32 | 109.8° | 63.0° |
| H22 | C2 | C3 | N4 | 125.6° | 57.1° |
| H22 | C2 | C3 | H31 | 109.1° | 63.0° |
| H22 | C2 | C3 | H32 | 0.3° | 177.2° |
| N4 | C3 | H31 | H32 | 113.7° | 119.9° |
| C3 | N4 | C5 | C7 | 123.0° | 113.9° |
| C3 | N4 | C5 | C6 | 0.9° | 61.1° |
| C3 | N4 | C5 | H51 | 126.2° | 58.8° |
| C3 | N4 | C5 | H52 | 124.3° | 178.7° |
| C3 | N4 | C7 | C8 | 54.1° | 66.0° |
| C3 | N4 | C7 | H71 | 179.4° | 54.0° |
| C3 | N4 | C7 | H72 | 71.1° | 174.0° |
| H31 | C3 | N4 | C5 | 126.2° | 178.8° |
| H31 | C3 | N4 | C7 | 5.0° | 64.8° |
| H32 | C3 | N4 | C5 | 124.4° | 58.9° |
| H32 | C3 | N4 | C7 | 114.5° | 55.0° |
| N4 | C5 | C6 | H51 | 125.2° | 120.0° |
| N4 | C5 | C6 | H52 | 125.3° | 120.2° |
| N4 | C5 | H51 | H52 | 113.6° | 120.0° |
| N4 | C5 | C6 | H61 | 125.6° | 177.0° |
| N4 | C5 | C6 | H62 | 124.9° | 57.1° |
| C5 | N4 | C7 | C8 | 176.9° | 180.0° |
| C5 | N4 | C7 | H71 | 51.7° | 60.0° |
| C5 | N4 | C7 | H72 | 57.8° | 60.0° |
| C7 | N4 | C5 | C6 | 122.0° | 175.1° |
| C7 | N4 | C5 | H51 | 3.2° | 55.1° |
| C7 | N4 | C5 | H52 | 112.7° | 64.8° |
| N4 | C7 | C8 | H71 | 125.3° | 120.0° |
| N4 | C7 | C8 | H72 | 125.2° | 120.0° |
| N4 | C7 | H71 | H72 | 116.4° | 120.0° |
| N4 | C7 | C8 | O8 | 56.2° | 60.0° |
| N4 | C7 | C8 | H81 | 178.6° | 60.0° |
| N4 | C7 | C8 | H82 | 69.1° | 180.0° |
| C6 | C5 | H51 | H52 | 113.7° | 119.9° |
| C5 | C6 | H61 | H62 | 115.7° | 119.8° |
| H51 | C5 | C6 | H61 | 109.1° | 63.0° |
| H51 | C5 | C6 | H62 | 0.4° | 177.1° |
| H52 | C5 | C6 | H61 | 0.4° | 56.9° |
| H52 | C5 | C6 | H62 | 109.9° | 63.0° |
| C8 | C7 | H71 | H72 | 116.4° | 120.0° |
| C7 | C8 | O8 | H81 | 125.2° | 120.0° |
| C7 | C8 | O8 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 118.4° | 120.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 180.0° |
| H71 | C7 | C8 | O8 | 69.1° | 180.0° |
| H71 | C7 | C8 | H81 | 56.1° | 60.0° |
| H71 | C7 | C8 | H82 | 165.6° | 60.0° |
| H72 | C7 | C8 | O8 | 178.6° | 60.0° |
| H72 | C7 | C8 | H81 | 53.3° | 179.9° |
| H72 | C7 | C8 | H82 | 56.1° | 60.1° |
| O8 | C8 | H81 | H82 | 118.4° | 120.0° |
| H81 | C8 | O8 | HO8 | 54.8° | 60.0° |
| H82 | C8 | O8 | HO8 | 54.7° | 60.0° |
