J5P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.54Å | |
| C1 | N | sing | 1.35Å | 1.34Å | |
| N | N1 | sing | 1.40Å | 1.39Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| O2 | S | doub | 1.42Å | 1.45Å | |
| C4 | C5 | sing | 1.54Å | 1.55Å | |
| C4 | C7 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C7 | S | sing | 1.83Å | 1.79Å | |
| S | C6 | sing | 1.83Å | 1.79Å | |
| S | O3 | doub | 1.42Å | 1.45Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | C | 122.6° | 120.0° |
| O | C1 | N | 121.8° | 120.0° |
| C | C1 | N | 115.5° | 120.0° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.4° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | N | N1 | 123.1° | 120.0° |
| C1 | N | H14 | 118.5° | 120.0° |
| N | N1 | C2 | 120.3° | 120.0° |
| N | N1 | H13 | 119.9° | 120.0° |
| N1 | N | H14 | 118.5° | 120.0° |
| N1 | C2 | O1 | 122.3° | 120.0° |
| N1 | C2 | C3 | 116.3° | 120.0° |
| C2 | N1 | H13 | 119.9° | 120.0° |
| O1 | C2 | C3 | 121.4° | 120.0° |
| C2 | C3 | C4 | 107.7° | 109.5° |
| C2 | C3 | H4 | 109.9° | 109.5° |
| C2 | C3 | H5 | 109.9° | 109.4° |
| C3 | C4 | C5 | 110.4° | 109.6° |
| C3 | C4 | C7 | 113.2° | 109.6° |
| C4 | C3 | H4 | 109.9° | 109.5° |
| C4 | C3 | H5 | 109.9° | 109.5° |
| C3 | C4 | H6 | 108.0° | 109.7° |
| O2 | S | C7 | 109.6° | 109.4° |
| O2 | S | C6 | 111.0° | 109.3° |
| O2 | S | O3 | 117.7° | 119.9° |
| C5 | C4 | C7 | 109.8° | 108.7° |
| C4 | C5 | C6 | 110.2° | 106.6° |
| C5 | C4 | H6 | 107.5° | 109.7° |
| C4 | C5 | H7 | 109.3° | 110.0° |
| C4 | C5 | H8 | 109.3° | 110.1° |
| C4 | C7 | S | 98.1° | 105.1° |
| C7 | C4 | H6 | 107.7° | 109.5° |
| C4 | C7 | H11 | 112.2° | 110.3° |
| C4 | C7 | H12 | 112.2° | 110.3° |
| C5 | C6 | S | 103.9° | 102.6° |
| C6 | C5 | H7 | 109.3° | 110.0° |
| C6 | C5 | H8 | 109.3° | 110.0° |
| C5 | C6 | H9 | 110.9° | 110.8° |
| C5 | C6 | H10 | 110.9° | 110.7° |
| C7 | S | C6 | 96.5° | 97.0° |
| C7 | S | O3 | 110.6° | 109.4° |
| S | C7 | H11 | 112.2° | 110.3° |
| S | C7 | H12 | 112.3° | 110.3° |
| C6 | S | O3 | 109.3° | 109.4° |
| S | C6 | H9 | 110.9° | 110.8° |
| S | C6 | H10 | 110.8° | 110.9° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 110.1° |
| H9 | C6 | H10 | 109.5° | 110.7° |
| H11 | C7 | H12 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C | N | 175.4° | 180.0° |
| O | C1 | N | N1 | 9.0° | 0.0° |
| O | C1 | C | H1 | 0.0° | 0.0° |
| O | C1 | C | H2 | 120.0° | 119.9° |
| O | C1 | C | H3 | 120.0° | 120.0° |
| O | C1 | N | H14 | 171.0° | 180.0° |
| C | C1 | N | N1 | 175.5° | 180.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.1° |
| C | C1 | N | H14 | 4.5° | 0.0° |
| C1 | N | N1 | H14 | 180.0° | 180.0° |
| C1 | N | N1 | C2 | 124.9° | 180.0° |
| N | C1 | C | H1 | 175.4° | 180.0° |
| N | C1 | C | H2 | 55.4° | 60.1° |
| N | C1 | C | H3 | 64.5° | 60.0° |
| C1 | N | N1 | H13 | 55.1° | 0.0° |
| N | N1 | C2 | H13 | 180.0° | 180.0° |
| N | N1 | C2 | O1 | 11.6° | 0.0° |
| N | N1 | C2 | C3 | 166.0° | 180.0° |
| N1 | C2 | O1 | C3 | 177.4° | 180.0° |
| N1 | C2 | C3 | C4 | 157.3° | 180.0° |
| N1 | C2 | C3 | H4 | 83.0° | 60.0° |
| N1 | C2 | C3 | H5 | 37.6° | 60.0° |
| C2 | N1 | N | H14 | 55.1° | 0.0° |
| O1 | C2 | C3 | C4 | 20.3° | 0.0° |
| O1 | C2 | C3 | H4 | 99.4° | 120.0° |
| O1 | C2 | C3 | H5 | 140.0° | 120.0° |
| O1 | C2 | N1 | H13 | 168.4° | 180.0° |
| C2 | C3 | C4 | H4 | 119.7° | 120.0° |
| C2 | C3 | C4 | H5 | 119.7° | 120.0° |
| C2 | C3 | C4 | C5 | 80.9° | 175.0° |
| C2 | C3 | C4 | C7 | 155.6° | 65.7° |
| C2 | C3 | H4 | H5 | 120.8° | 120.0° |
| C2 | C3 | C4 | H6 | 36.4° | 54.5° |
| C3 | C2 | N1 | H13 | 14.0° | 0.0° |
| C3 | C4 | C5 | C7 | 125.5° | 119.8° |
| C3 | C4 | C5 | H6 | 117.6° | 120.5° |
| C3 | C4 | C7 | H6 | 119.4° | 120.3° |
| C3 | C4 | C5 | C6 | 99.3° | 167.0° |
| C3 | C4 | C7 | S | 80.0° | 147.8° |
| C4 | C3 | H4 | H5 | 120.9° | 120.0° |
| C3 | C4 | C5 | H7 | 20.8° | 47.8° |
| C3 | C4 | C5 | H8 | 140.5° | 73.7° |
| C3 | C4 | C7 | H11 | 161.9° | 93.3° |
| C3 | C4 | C7 | H12 | 38.1° | 28.9° |
| O2 | S | C7 | C4 | 72.7° | 115.6° |
| O2 | S | C6 | C5 | 84.7° | 90.3° |
| O2 | S | C7 | C6 | 115.1° | 113.4° |
| O2 | S | C7 | O3 | 131.4° | 133.1° |
| O2 | S | C6 | O3 | 131.5° | 133.1° |
| O2 | S | C6 | H9 | 34.4° | 28.0° |
| O2 | S | C6 | H10 | 156.2° | 151.4° |
| O2 | S | C7 | H11 | 169.2° | 125.6° |
| O2 | S | C7 | H12 | 45.4° | 3.3° |
| C5 | C4 | C7 | H6 | 116.8° | 119.8° |
| C4 | C5 | C6 | H7 | 120.1° | 119.3° |
| C4 | C5 | C6 | H8 | 120.1° | 119.3° |
| C5 | C4 | C7 | S | 43.9° | 28.0° |
| C4 | C5 | C6 | S | 5.7° | 42.4° |
| C5 | C4 | C3 | H4 | 159.4° | 65.0° |
| C5 | C4 | C3 | H5 | 38.8° | 55.0° |
| C4 | C5 | H7 | H8 | 119.7° | 121.5° |
| C4 | C5 | C6 | H9 | 124.9° | 160.7° |
| C4 | C5 | C6 | H10 | 113.4° | 76.0° |
| C5 | C4 | C7 | H11 | 74.3° | 146.8° |
| C5 | C4 | C7 | H12 | 162.0° | 91.0° |
| C7 | C4 | C5 | C6 | 26.1° | 47.2° |
| C4 | C7 | S | H11 | 118.1° | 118.9° |
| C4 | C7 | S | H12 | 118.1° | 118.9° |
| C4 | C7 | S | C6 | 42.4° | 2.2° |
| C4 | C7 | S | O3 | 155.9° | 111.3° |
| C7 | C4 | C3 | H4 | 35.9° | 54.3° |
| C7 | C4 | C3 | H5 | 84.7° | 174.3° |
| C7 | C4 | C5 | H7 | 146.2° | 72.1° |
| C7 | C4 | C5 | H8 | 94.0° | 166.5° |
| C4 | C7 | H11 | H12 | 125.3° | 122.2° |
| C5 | C6 | S | C7 | 29.2° | 23.1° |
| C5 | C6 | S | H9 | 119.1° | 118.3° |
| C5 | C6 | S | H10 | 119.1° | 118.3° |
| C5 | C6 | S | O3 | 143.8° | 136.6° |
| C6 | C5 | C4 | H6 | 143.0° | 72.5° |
| C6 | C5 | H7 | H8 | 119.6° | 121.4° |
| C5 | C6 | H9 | H10 | 122.6° | 123.3° |
| C7 | S | C6 | O3 | 114.6° | 113.4° |
| S | C7 | C4 | H6 | 160.6° | 91.9° |
| C7 | S | C6 | H9 | 148.3° | 141.5° |
| C7 | S | C6 | H10 | 89.9° | 95.1° |
| S | C7 | H11 | H12 | 125.3° | 122.2° |
| S | C6 | C5 | H7 | 114.4° | 76.9° |
| S | C6 | C5 | H8 | 125.9° | 161.7° |
| S | C6 | H9 | H10 | 122.6° | 123.5° |
| C6 | S | C7 | H11 | 75.8° | 121.0° |
| C6 | S | C7 | H12 | 160.5° | 116.7° |
| O3 | S | C6 | H9 | 97.1° | 105.1° |
| O3 | S | C6 | H10 | 24.7° | 18.3° |
| O3 | S | C7 | H11 | 37.7° | 7.6° |
| O3 | S | C7 | H12 | 86.0° | 129.8° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H6 | 83.3° | 174.5° |
| H5 | C3 | C4 | H6 | 156.1° | 65.5° |
| H6 | C4 | C5 | H7 | 96.9° | 168.2° |
| H6 | C4 | C5 | H8 | 22.9° | 46.8° |
| H6 | C4 | C7 | H11 | 42.5° | 27.0° |
| H6 | C4 | C7 | H12 | 81.2° | 149.2° |
| H7 | C5 | C6 | H9 | 4.7° | 41.5° |
| H7 | C5 | C6 | H10 | 126.5° | 164.7° |
| H8 | C5 | C6 | H9 | 115.0° | 79.9° |
| H8 | C5 | C6 | H10 | 6.8° | 43.3° |
| H13 | N1 | N | H14 | 124.9° | 180.0° |
