ENJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S | doub | 1.42Å | 1.64Å | |
| O2R | C2R | sing | 1.43Å | 1.43Å | |
| O | S | doub | 1.42Å | 1.63Å | |
| S | O21 | sing | 1.52Å | 1.44Å | |
| S | C4 | sing | 1.81Å | 1.70Å | |
| O2 | C1 | doub | 1.22Å | 1.22Å | |
| O3R | C3R | sing | 1.43Å | 1.43Å | |
| C2R | C1R | sing | 1.54Å | 1.52Å | |
| C2R | C3R | sing | 1.55Å | 1.51Å | |
| C1R | N1 | sing | 1.47Å | 1.49Å | |
| C1R | O4R | sing | 1.44Å | 1.44Å | |
| C1 | C5 | sing | 1.42Å | 1.47Å | |
| C1 | S2 | sing | 1.76Å | 1.69Å | |
| C6 | N1 | sing | 1.37Å | 1.37Å | |
| C6 | C5 | doub | 1.34Å | 1.34Å | |
| N1 | C2 | sing | 1.37Å | 1.39Å | |
| C3R | C4R | sing | 1.54Å | 1.52Å | |
| C5 | C4 | sing | 1.50Å | 1.52Å | |
| C4 | C3 | sing | 1.50Å | 1.51Å | |
| O3P | P | doub | 1.48Å | 1.50Å | |
| C2 | C3 | doub | 1.35Å | 1.34Å | |
| O4R | C4R | sing | 1.44Å | 1.44Å | |
| C3 | C7 | sing | 1.40Å | 1.47Å | |
| C4R | C5R | sing | 1.53Å | 1.52Å | |
| O2P | P | sing | 1.61Å | 1.50Å | |
| P | O5R | sing | 1.61Å | 1.61Å | |
| P | O1P | sing | 1.61Å | 1.52Å | |
| O5R | C5R | sing | 1.43Å | 1.39Å | |
| C7 | S7 | doub | 1.71Å | 1.57Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C1R | H5 | sing | 1.09Å | 1.10Å | |
| C2R | H6 | sing | 1.09Å | 1.10Å | |
| C3R | H7 | sing | 1.09Å | 1.10Å | |
| C4R | H8 | sing | 1.09Å | 1.10Å | |
| C5R | H9 | sing | 1.09Å | 1.10Å | |
| C5R | H10 | sing | 1.09Å | 1.10Å | |
| O1P | H11 | sing | 0.97Å | 0.95Å | |
| O2P | H12 | sing | 0.97Å | 0.95Å | |
| O2R | H13 | sing | 0.97Å | 0.95Å | |
| O3R | H14 | sing | 0.97Å | 0.95Å | |
| S2 | H15 | sing | 1.41Å | 1.30Å | |
| O21 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O | 110.7° | 121.0° |
| O1 | S | O21 | 106.7° | 104.3° |
| O1 | S | C4 | 110.8° | 110.5° |
| O2R | C2R | C1R | 110.8° | 110.5° |
| O2R | C2R | C3R | 110.6° | 110.5° |
| O2R | C2R | H6 | 111.0° | 110.6° |
| C2R | O2R | H13 | 109.5° | 114.0° |
| O | S | O21 | 106.8° | 104.3° |
| O | S | C4 | 110.3° | 110.6° |
| O21 | S | C4 | 111.4° | 104.5° |
| S | O21 | H16 | 109.5° | 114.0° |
| S | C4 | C5 | 117.0° | 109.2° |
| S | C4 | C3 | 113.1° | 109.2° |
| S | C4 | H3 | 105.7° | 109.3° |
| O2 | C1 | C5 | 121.7° | 120.0° |
| O2 | C1 | S2 | 118.1° | 120.0° |
| O3R | C3R | C2R | 109.7° | 110.5° |
| O3R | C3R | C4R | 112.6° | 110.5° |
| O3R | C3R | H7 | 111.2° | 110.6° |
| C3R | O3R | H14 | 109.5° | 114.0° |
| C1R | C2R | C3R | 104.8° | 104.1° |
| C2R | C1R | N1 | 107.3° | 110.4° |
| C2R | C1R | O4R | 106.0° | 104.8° |
| C2R | C1R | H5 | 108.8° | 110.5° |
| C1R | C2R | H6 | 109.6° | 110.5° |
| C2R | C3R | C4R | 102.7° | 104.0° |
| C3R | C2R | H6 | 109.8° | 110.5° |
| C2R | C3R | H7 | 110.2° | 110.5° |
| N1 | C1R | O4R | 115.2° | 110.3° |
| C1R | N1 | C6 | 113.6° | 119.8° |
| C1R | N1 | C2 | 114.5° | 119.9° |
| N1 | C1R | H5 | 109.3° | 110.3° |
| C1R | O4R | C4R | 110.4° | 105.3° |
| O4R | C1R | H5 | 110.0° | 110.4° |
| C5 | C1 | S2 | 120.2° | 120.0° |
| C1 | C5 | C6 | 118.2° | 119.2° |
| C1 | C5 | C4 | 122.4° | 119.3° |
| C1 | S2 | H15 | 102.0° | 100.0° |
| N1 | C6 | C5 | 117.5° | 120.8° |
| C6 | N1 | C2 | 111.4° | 120.3° |
| N1 | C6 | H2 | 121.3° | 119.6° |
| C6 | C5 | C4 | 119.2° | 121.5° |
| C5 | C6 | H2 | 121.3° | 119.6° |
| N1 | C2 | C3 | 118.4° | 120.7° |
| N1 | C2 | H4 | 120.8° | 119.6° |
| C3R | C4R | O4R | 106.4° | 104.8° |
| C3R | C4R | C5R | 109.5° | 110.4° |
| C4R | C3R | H7 | 110.0° | 110.5° |
| C3R | C4R | H8 | 110.5° | 110.4° |
| C5 | C4 | C3 | 105.4° | 110.8° |
| C5 | C4 | H3 | 107.5° | 109.2° |
| C4 | C3 | C2 | 118.5° | 121.4° |
| C4 | C3 | C7 | 122.3° | 119.3° |
| C3 | C4 | H3 | 107.7° | 109.2° |
| O3P | P | O2P | 108.2° | 109.5° |
| O3P | P | O5R | 104.8° | 109.5° |
| O3P | P | O1P | 111.7° | 109.5° |
| C2 | C3 | C7 | 119.2° | 119.3° |
| C3 | C2 | H4 | 120.8° | 119.7° |
| O4R | C4R | C5R | 108.2° | 110.4° |
| O4R | C4R | H8 | 111.7° | 110.5° |
| C3 | C7 | S7 | 124.3° | 120.0° |
| C3 | C7 | H1 | 117.8° | 120.0° |
| C4R | C5R | O5R | 105.1° | 109.5° |
| C5R | C4R | H8 | 110.4° | 110.3° |
| C4R | C5R | H9 | 110.6° | 109.4° |
| C4R | C5R | H10 | 110.6° | 109.5° |
| O2P | P | O5R | 116.9° | 109.5° |
| O2P | P | O1P | 109.2° | 109.4° |
| P | O2P | H12 | 109.5° | 114.0° |
| O5R | P | O1P | 106.0° | 109.5° |
| P | O5R | C5R | 127.1° | 123.0° |
| P | O1P | H11 | 109.5° | 114.0° |
| O5R | C5R | H9 | 110.5° | 109.5° |
| O5R | C5R | H10 | 110.6° | 109.5° |
| S7 | C7 | H1 | 117.8° | 120.0° |
| H9 | C5R | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O | O21 | 115.8° | 116.8° |
| O1 | S | O | C4 | 123.0° | 131.5° |
| O1 | S | O21 | C4 | 121.0° | 116.0° |
| O1 | S | C4 | C5 | 39.4° | 72.1° |
| O1 | S | C4 | C3 | 83.3° | 166.6° |
| O1 | S | C4 | H3 | 159.1° | 47.3° |
| O1 | S | O21 | H16 | 118.5° | 64.0° |
| O2R | C2R | C3R | O3R | 29.8° | 0.0° |
| O2R | C2R | C1R | C3R | 119.4° | 118.6° |
| O2R | C2R | C1R | H6 | 122.9° | 122.7° |
| O2R | C2R | C3R | H6 | 122.9° | 122.7° |
| O2R | C2R | C1R | N1 | 95.2° | 98.6° |
| O2R | C2R | C1R | O4R | 141.2° | 142.6° |
| O2R | C2R | C3R | C4R | 149.8° | 118.7° |
| O2R | C2R | C1R | H5 | 22.9° | 23.7° |
| O2R | C2R | C3R | H7 | 93.0° | 122.7° |
| O | S | O21 | C4 | 120.5° | 116.1° |
| O | S | C4 | C5 | 83.5° | 64.6° |
| O | S | C4 | C3 | 153.8° | 56.7° |
| O | S | C4 | H3 | 36.2° | 176.0° |
| O | S | O21 | H16 | 0.0° | 63.9° |
| O21 | S | C4 | C5 | 158.0° | 176.3° |
| O21 | S | C4 | C3 | 35.3° | 55.0° |
| O21 | S | C4 | H3 | 82.3° | 64.4° |
| S | C4 | C5 | C1 | 91.7° | 75.8° |
| S | C4 | C5 | C6 | 93.4° | 104.2° |
| S | C4 | C5 | C3 | 126.6° | 120.3° |
| S | C4 | C5 | H3 | 118.7° | 119.4° |
| S | C4 | C3 | H3 | 116.4° | 119.4° |
| S | C4 | C3 | C2 | 91.8° | 104.2° |
| S | C4 | C3 | C7 | 90.6° | 75.8° |
| C4 | S | O21 | H16 | 120.5° | 180.0° |
| O2 | C1 | C5 | S2 | 177.6° | 180.0° |
| O2 | C1 | C5 | C6 | 38.8° | 0.0° |
| O2 | C1 | C5 | C4 | 146.3° | 179.9° |
| O2 | C1 | S2 | H15 | 0.0° | 0.0° |
| O3R | C3R | C2R | C1R | 89.7° | 118.6° |
| O3R | C3R | C2R | C4R | 120.0° | 118.7° |
| O3R | C3R | C2R | H7 | 122.8° | 122.7° |
| O3R | C3R | C4R | H7 | 124.7° | 122.7° |
| O3R | C3R | C4R | O4R | 89.3° | 142.6° |
| O3R | C3R | C4R | C5R | 153.9° | 98.5° |
| O3R | C3R | C2R | H6 | 152.7° | 122.7° |
| O3R | C3R | C4R | H8 | 32.1° | 23.7° |
| C1R | C2R | C3R | H6 | 117.6° | 118.7° |
| C2R | C1R | N1 | O4R | 117.7° | 115.4° |
| C2R | C1R | N1 | H5 | 117.8° | 122.4° |
| C2R | C1R | O4R | H5 | 117.5° | 119.0° |
| C2R | C1R | N1 | C6 | 155.6° | 118.2° |
| C2R | C1R | N1 | C2 | 74.8° | 61.8° |
| C1R | C2R | C3R | C4R | 30.3° | 0.0° |
| C2R | C1R | O4R | C4R | 3.7° | 40.5° |
| C1R | C2R | C3R | H7 | 147.6° | 118.6° |
| C1R | C2R | O2R | H13 | 180.0° | 180.0° |
| C3R | C2R | C1R | N1 | 145.4° | 142.8° |
| C3R | C2R | C1R | O4R | 21.8° | 24.0° |
| C2R | C3R | C4R | H7 | 117.4° | 118.6° |
| C2R | C3R | C4R | O4R | 28.6° | 24.0° |
| C2R | C3R | C4R | C5R | 88.1° | 142.8° |
| C3R | C2R | C1R | H5 | 96.4° | 94.9° |
| C2R | C3R | C4R | H8 | 150.0° | 95.0° |
| C3R | C2R | O2R | H13 | 64.2° | 65.3° |
| C2R | C3R | O3R | H14 | 180.0° | 61.4° |
| N1 | C1R | O4R | H5 | 124.1° | 122.2° |
| C1R | N1 | C6 | C2 | 131.1° | 180.0° |
| C1R | N1 | C6 | C5 | 179.6° | 162.3° |
| C1R | N1 | C2 | C3 | 175.7° | 162.3° |
| N1 | C1R | O4R | C4R | 122.2° | 159.3° |
| C1R | N1 | C6 | H2 | 0.4° | 17.4° |
| C1R | N1 | C2 | H4 | 4.3° | 17.6° |
| N1 | C1R | C2R | H6 | 27.6° | 24.2° |
| O4R | C1R | N1 | C6 | 86.7° | 126.5° |
| O4R | C1R | N1 | C2 | 42.9° | 53.5° |
| C1R | O4R | C4R | C3R | 15.8° | 40.5° |
| C1R | O4R | C4R | C5R | 101.8° | 159.4° |
| O4R | C1R | C2R | H6 | 96.0° | 94.6° |
| C1R | O4R | C4R | H8 | 136.4° | 78.4° |
| C1 | C5 | C6 | N1 | 176.7° | 179.6° |
| C1 | C5 | C6 | C4 | 175.1° | 180.0° |
| C1 | C5 | C4 | C3 | 141.7° | 163.9° |
| C1 | C5 | C6 | H2 | 3.3° | 0.7° |
| C1 | C5 | C4 | H3 | 27.0° | 43.6° |
| C5 | C1 | S2 | H15 | 177.6° | 179.9° |
| S2 | C1 | C5 | C6 | 138.8° | 180.0° |
| S2 | C1 | C5 | C4 | 36.1° | 0.0° |
| N1 | C6 | C5 | H2 | 180.0° | 179.7° |
| N1 | C6 | C5 | C4 | 8.2° | 0.4° |
| C6 | N1 | C2 | C3 | 45.0° | 17.7° |
| C6 | N1 | C2 | H4 | 135.0° | 162.4° |
| C6 | N1 | C1R | H5 | 37.8° | 4.2° |
| C5 | C6 | N1 | C2 | 49.3° | 17.7° |
| C6 | C5 | C4 | C3 | 33.2° | 16.2° |
| C6 | C5 | C4 | H3 | 147.8° | 136.4° |
| N1 | C2 | C3 | C4 | 0.4° | 0.4° |
| N1 | C2 | C3 | H4 | 180.0° | 179.9° |
| N1 | C2 | C3 | C7 | 177.3° | 179.6° |
| C2 | N1 | C6 | H2 | 130.7° | 162.6° |
| C2 | N1 | C1R | H5 | 167.4° | 175.8° |
| C3R | C4R | O4R | C5R | 117.5° | 118.9° |
| C3R | C4R | O4R | H8 | 120.7° | 118.9° |
| C3R | C4R | C5R | H8 | 121.9° | 122.3° |
| C3R | C4R | C5R | O5R | 26.3° | 175.0° |
| C4R | C3R | C2R | H6 | 87.3° | 118.6° |
| C3R | C4R | C5R | H9 | 93.0° | 54.9° |
| C3R | C4R | C5R | H10 | 145.6° | 64.9° |
| C4R | C3R | O3R | H14 | 66.2° | 176.1° |
| C5 | C4 | C3 | H3 | 114.6° | 120.3° |
| C5 | C4 | C3 | C2 | 37.2° | 16.1° |
| C5 | C4 | C3 | C7 | 140.4° | 163.8° |
| C4 | C5 | C6 | H2 | 171.8° | 179.3° |
| C4 | C3 | C2 | C7 | 177.6° | 180.0° |
| C4 | C3 | C7 | S7 | 26.8° | 180.0° |
| C4 | C3 | C7 | H1 | 153.2° | 0.3° |
| C4 | C3 | C2 | H4 | 179.6° | 179.6° |
| O3P | P | O2P | O5R | 117.9° | 120.0° |
| O3P | P | O2P | O1P | 121.8° | 120.0° |
| O3P | P | O5R | O1P | 118.3° | 120.0° |
| O3P | P | O5R | C5R | 151.9° | 55.0° |
| O3P | P | O1P | H11 | 0.0° | 60.0° |
| O3P | P | O2P | H12 | 0.0° | 180.0° |
| C2 | C3 | C7 | S7 | 150.8° | 0.1° |
| C2 | C3 | C7 | H1 | 29.3° | 179.8° |
| C2 | C3 | C4 | H3 | 151.8° | 136.4° |
| O4R | C4R | C5R | H8 | 122.6° | 122.3° |
| O4R | C4R | C5R | O5R | 141.9° | 69.6° |
| C4R | O4R | C1R | H5 | 113.8° | 78.4° |
| O4R | C4R | C3R | H7 | 146.0° | 94.7° |
| O4R | C4R | C5R | H9 | 22.6° | 170.4° |
| O4R | C4R | C5R | H10 | 98.8° | 50.5° |
| C3 | C7 | S7 | H1 | 180.0° | 179.7° |
| C7 | C3 | C4 | H3 | 25.8° | 43.6° |
| C7 | C3 | C2 | H4 | 2.7° | 0.5° |
| C4R | C5R | O5R | P | 140.6° | 180.0° |
| C4R | C5R | O5R | H9 | 119.3° | 120.0° |
| C4R | C5R | O5R | H10 | 119.3° | 120.0° |
| C5R | C4R | C3R | H7 | 29.2° | 24.2° |
| C4R | C5R | H9 | H10 | 122.0° | 119.9° |
| O2P | P | O5R | O1P | 122.0° | 120.0° |
| O2P | P | O5R | C5R | 32.1° | 65.0° |
| O2P | P | O1P | H11 | 119.7° | 60.0° |
| P | O5R | C5R | H9 | 21.3° | 60.0° |
| P | O5R | C5R | H10 | 100.1° | 60.0° |
| O5R | P | O1P | H11 | 113.6° | 180.0° |
| O5R | P | O2P | H12 | 117.9° | 60.0° |
| O1P | P | O5R | C5R | 89.8° | 175.0° |
| O1P | P | O2P | H12 | 121.8° | 60.0° |
| O5R | C5R | C4R | H8 | 95.5° | 52.7° |
| O5R | C5R | H9 | H10 | 122.0° | 120.0° |
| H5 | C1R | C2R | H6 | 145.8° | 146.5° |
| H6 | C2R | C3R | H7 | 29.9° | 0.0° |
| H6 | C2R | O2R | H13 | 58.0° | 57.3° |
| H7 | C3R | C4R | H8 | 92.6° | 146.4° |
| H7 | C3R | O3R | H14 | 57.8° | 61.3° |
| H8 | C4R | C5R | H9 | 145.2° | 67.3° |
| H8 | C4R | C5R | H10 | 23.8° | 172.8° |
