A1B2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.35Å | |
| O | C | doub | 1.21Å | 1.18Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | O1 | doub | 1.21Å | 1.21Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | S | sing | 1.81Å | 1.88Å | |
| S | C9 | sing | 1.81Å | 1.91Å | |
| C9 | C7 | sing | 1.53Å | 1.49Å | |
| C10 | N1 | sing | 1.47Å | 1.45Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | O | 125.7° | 120.0° |
| N | C | C1 | 111.4° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 119.9° |
| O | C | C1 | 122.9° | 120.0° |
| C | C1 | C2 | 114.0° | 109.4° |
| C | C1 | C10 | 114.6° | 109.8° |
| C | C1 | H | 106.0° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.6° |
| C2 | C1 | C10 | 109.6° | 109.2° |
| C1 | C2 | H4 | 109.1° | 109.2° |
| C1 | C2 | H3 | 109.1° | 109.6° |
| C2 | C1 | H | 105.8° | 109.5° |
| C2 | C3 | C4 | 113.7° | 109.3° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.6° |
| C3 | C2 | H4 | 109.1° | 109.5° |
| C3 | C2 | H3 | 109.1° | 109.4° |
| C3 | C4 | N1 | 110.9° | 108.8° |
| C3 | C4 | H8 | 109.1° | 109.6° |
| C3 | C4 | H7 | 109.1° | 109.7° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C4 | C3 | H5 | 108.4° | 109.5° |
| C4 | N1 | C5 | 119.9° | 120.6° |
| C4 | N1 | C10 | 112.1° | 118.7° |
| N1 | C4 | H8 | 109.2° | 109.6° |
| N1 | C4 | H7 | 109.1° | 109.6° |
| N1 | C5 | O1 | 123.3° | 120.0° |
| N1 | C5 | C6 | 117.2° | 120.0° |
| C5 | N1 | C10 | 127.9° | 120.6° |
| O1 | C5 | C6 | 119.5° | 120.0° |
| C5 | C6 | C7 | 107.6° | 109.4° |
| C5 | C6 | H10 | 109.9° | 109.5° |
| C5 | C6 | H9 | 109.9° | 109.5° |
| C6 | C7 | C8 | 122.8° | 113.1° |
| C6 | C7 | C9 | 103.5° | 113.2° |
| C7 | C6 | H10 | 109.9° | 109.5° |
| C7 | C6 | H9 | 110.0° | 109.5° |
| C6 | C7 | H11 | 109.6° | 112.6° |
| C7 | C8 | S | 92.0° | 89.9° |
| C8 | C7 | C9 | 99.7° | 89.9° |
| C8 | C7 | H11 | 109.9° | 113.1° |
| C7 | C8 | H12 | 113.7° | 113.2° |
| C7 | C8 | H13 | 113.7° | 113.1° |
| C8 | S | C9 | 74.3° | 73.2° |
| S | C8 | H12 | 113.6° | 113.2° |
| S | C8 | H13 | 113.7° | 113.2° |
| S | C9 | C7 | 91.5° | 89.9° |
| S | C9 | H14 | 113.8° | 113.2° |
| S | C9 | H15 | 113.7° | 113.2° |
| C9 | C7 | H11 | 110.2° | 113.2° |
| C7 | C9 | H14 | 113.8° | 113.1° |
| C7 | C9 | H15 | 113.8° | 113.2° |
| N1 | C10 | C1 | 108.8° | 108.8° |
| N1 | C10 | H17 | 109.7° | 109.6° |
| N1 | C10 | H16 | 109.7° | 109.6° |
| C1 | C10 | H17 | 109.6° | 109.6° |
| C1 | C10 | H16 | 109.7° | 109.7° |
| C10 | C1 | H | 106.1° | 109.3° |
| H8 | C4 | H7 | 109.4° | 109.5° |
| H10 | C6 | H9 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 112.5° |
| H17 | C10 | H16 | 109.4° | 109.6° |
| H14 | C9 | H15 | 109.5° | 112.5° |
| H6 | C3 | H5 | 109.5° | 109.5° |
| H4 | C2 | H3 | 109.5° | 109.5° |
| H1 | N | H2 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | O | C1 | 178.1° | 179.9° |
| N | C | C1 | C2 | 100.9° | 60.0° |
| N | C | C1 | C10 | 131.7° | 179.9° |
| N | C | C1 | H | 15.0° | 60.1° |
| C | N | H1 | H2 | 180.0° | 180.0° |
| O | C | C1 | C2 | 77.4° | 120.0° |
| O | C | C1 | C10 | 50.0° | 0.1° |
| O | C | C1 | H | 166.7° | 119.9° |
| O | C | N | H1 | 0.0° | 180.0° |
| O | C | N | H2 | 180.0° | 0.0° |
| C | C1 | C2 | C10 | 130.0° | 120.2° |
| C | C1 | C2 | H | 116.0° | 120.1° |
| C | C1 | C2 | C3 | 176.8° | 178.6° |
| C | C1 | C10 | N1 | 168.1° | 174.6° |
| C | C1 | C10 | H | 116.6° | 120.2° |
| C | C1 | C10 | H17 | 48.2° | 65.6° |
| C | C1 | C10 | H16 | 72.0° | 54.7° |
| C | C1 | C2 | H4 | 56.6° | 61.4° |
| C | C1 | C2 | H3 | 63.0° | 58.5° |
| C1 | C | N | H1 | 178.3° | 0.0° |
| C1 | C | N | H2 | 1.7° | 179.9° |
| C1 | C2 | C3 | H4 | 120.2° | 119.8° |
| C1 | C2 | C3 | H3 | 120.2° | 120.2° |
| C1 | C2 | C3 | C4 | 46.5° | 61.2° |
| C2 | C1 | C10 | N1 | 62.2° | 54.6° |
| C2 | C1 | C10 | H | 113.8° | 119.8° |
| C2 | C1 | C10 | H17 | 177.9° | 174.4° |
| C2 | C1 | C10 | H16 | 57.7° | 65.3° |
| C1 | C2 | C3 | H6 | 74.1° | 178.9° |
| C1 | C2 | C3 | H5 | 167.1° | 58.8° |
| C1 | C2 | H4 | H3 | 119.3° | 120.0° |
| C2 | C3 | C4 | H6 | 120.6° | 119.9° |
| C2 | C3 | C4 | H5 | 120.6° | 120.0° |
| C2 | C3 | C4 | N1 | 47.7° | 54.7° |
| C3 | C2 | C1 | C10 | 53.2° | 61.1° |
| C2 | C3 | C4 | H8 | 167.9° | 65.2° |
| C2 | C3 | C4 | H7 | 72.5° | 174.5° |
| C2 | C3 | H6 | H5 | 118.0° | 120.1° |
| C3 | C2 | H4 | H3 | 119.4° | 120.0° |
| C3 | C2 | C1 | H | 60.8° | 58.5° |
| C3 | C4 | N1 | H8 | 120.2° | 119.8° |
| C3 | C4 | N1 | H7 | 120.2° | 120.0° |
| C3 | C4 | N1 | C5 | 119.6° | 126.4° |
| C3 | C4 | N1 | C10 | 57.2° | 53.9° |
| C3 | C4 | H8 | H7 | 119.4° | 120.4° |
| C4 | C3 | H6 | H5 | 118.1° | 120.1° |
| C4 | C3 | C2 | H4 | 166.7° | 58.6° |
| C4 | C3 | C2 | H3 | 73.7° | 178.6° |
| C4 | N1 | C5 | C10 | 176.1° | 179.7° |
| C4 | N1 | C5 | O1 | 172.4° | 180.0° |
| C4 | N1 | C5 | C6 | 3.8° | 0.0° |
| C4 | N1 | C10 | C1 | 65.3° | 53.9° |
| N1 | C4 | H8 | H7 | 119.3° | 120.3° |
| C4 | N1 | C10 | H17 | 174.8° | 173.7° |
| C4 | N1 | C10 | H16 | 54.6° | 66.1° |
| N1 | C4 | C3 | H6 | 72.9° | 174.6° |
| N1 | C4 | C3 | H5 | 168.3° | 65.4° |
| N1 | C5 | O1 | C6 | 176.1° | 179.9° |
| N1 | C5 | C6 | C7 | 155.7° | 180.0° |
| C5 | N1 | C10 | C1 | 111.1° | 126.4° |
| C5 | N1 | C4 | H8 | 0.7° | 113.8° |
| C5 | N1 | C4 | H7 | 120.2° | 6.4° |
| N1 | C5 | C6 | H10 | 36.1° | 60.0° |
| N1 | C5 | C6 | H9 | 84.5° | 60.1° |
| C5 | N1 | C10 | H17 | 8.8° | 6.6° |
| C5 | N1 | C10 | H16 | 129.0° | 113.6° |
| O1 | C5 | C6 | C7 | 27.9° | 0.0° |
| O1 | C5 | N1 | C10 | 11.5° | 0.3° |
| O1 | C5 | C6 | H10 | 147.6° | 120.0° |
| O1 | C5 | C6 | H9 | 91.8° | 120.0° |
| C5 | C6 | C7 | H10 | 119.7° | 120.0° |
| C5 | C6 | C7 | H9 | 119.7° | 120.0° |
| C5 | C6 | C7 | C8 | 174.5° | 175.0° |
| C5 | C6 | C7 | C9 | 74.3° | 84.7° |
| C6 | C5 | N1 | C10 | 172.4° | 179.7° |
| C5 | C6 | H10 | H9 | 120.8° | 120.0° |
| C5 | C6 | C7 | H11 | 43.3° | 45.2° |
| C6 | C7 | C8 | C9 | 113.1° | 115.2° |
| C6 | C7 | C8 | H11 | 131.1° | 129.5° |
| C6 | C7 | C8 | S | 99.7° | 148.2° |
| C6 | C7 | C9 | S | 114.1° | 148.1° |
| C6 | C7 | C9 | H11 | 117.2° | 129.6° |
| C7 | C6 | H10 | H9 | 120.9° | 120.0° |
| C6 | C7 | C8 | H12 | 17.2° | 32.9° |
| C6 | C7 | C8 | H13 | 143.3° | 96.6° |
| C6 | C7 | C9 | H14 | 2.7° | 96.6° |
| C6 | C7 | C9 | H15 | 129.0° | 32.8° |
| C7 | C8 | S | H12 | 117.0° | 115.3° |
| C7 | C8 | S | H13 | 117.0° | 115.2° |
| C8 | C7 | C9 | S | 13.2° | 32.9° |
| C8 | C7 | C9 | H11 | 115.5° | 115.2° |
| C8 | C7 | C6 | H10 | 65.8° | 65.0° |
| C8 | C7 | C6 | H9 | 54.8° | 55.0° |
| C7 | C8 | H12 | H13 | 128.3° | 129.8° |
| C8 | C7 | C9 | H14 | 130.1° | 148.2° |
| C8 | C7 | C9 | H15 | 103.7° | 82.4° |
| S | C8 | C7 | H11 | 129.2° | 82.4° |
| S | C8 | H12 | H13 | 128.3° | 129.8° |
| C8 | S | C9 | H14 | 127.7° | 143.8° |
| C8 | S | C9 | H15 | 106.1° | 86.6° |
| S | C9 | C7 | H14 | 116.9° | 115.3° |
| S | C9 | C7 | H15 | 116.9° | 115.3° |
| S | C9 | C7 | H11 | 128.7° | 82.3° |
| C9 | S | C8 | H12 | 127.6° | 86.7° |
| C9 | S | C8 | H13 | 106.3° | 143.8° |
| S | C9 | H14 | H15 | 128.5° | 129.9° |
| C9 | C7 | C6 | H10 | 45.4° | 35.3° |
| C9 | C7 | C6 | H9 | 166.0° | 155.4° |
| C9 | C7 | C8 | H12 | 130.3° | 82.4° |
| C9 | C7 | C8 | H13 | 103.6° | 148.2° |
| C7 | C9 | H14 | H15 | 128.5° | 129.8° |
| N1 | C10 | C1 | H17 | 119.9° | 119.8° |
| N1 | C10 | C1 | H16 | 119.9° | 119.9° |
| C10 | N1 | C4 | H8 | 177.4° | 65.9° |
| C10 | N1 | C4 | H7 | 63.1° | 173.8° |
| N1 | C10 | H17 | H16 | 120.3° | 120.3° |
| N1 | C10 | C1 | H | 51.6° | 65.2° |
| C1 | C10 | H17 | H16 | 120.3° | 120.4° |
| C10 | C1 | C2 | H4 | 173.4° | 58.8° |
| C10 | C1 | C2 | H3 | 67.0° | 178.8° |
| H8 | C4 | C3 | H6 | 47.3° | 54.8° |
| H8 | C4 | C3 | H5 | 71.5° | 174.8° |
| H7 | C4 | C3 | H6 | 166.8° | 65.6° |
| H7 | C4 | C3 | H5 | 48.1° | 54.5° |
| H10 | C6 | C7 | H11 | 163.0° | 165.2° |
| H9 | C6 | C7 | H11 | 76.4° | 74.7° |
| H11 | C7 | C8 | H12 | 113.9° | 162.4° |
| H11 | C7 | C8 | H13 | 12.2° | 32.9° |
| H11 | C7 | C9 | H14 | 114.4° | 32.9° |
| H11 | C7 | C9 | H15 | 11.8° | 162.4° |
| H17 | C10 | C1 | H | 68.4° | 54.6° |
| H16 | C10 | C1 | H | 171.5° | 174.9° |
| H6 | C3 | C2 | H4 | 46.1° | 61.3° |
| H6 | C3 | C2 | H3 | 165.7° | 58.7° |
| H5 | C3 | C2 | H4 | 72.6° | 178.6° |
| H5 | C3 | C2 | H3 | 46.9° | 61.4° |
| H4 | C2 | C1 | H | 59.5° | 178.5° |
| H3 | C2 | C1 | H | 179.0° | 61.6° |
