VU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.55Å | 1.56Å | |
| C5 | C6 | sing | 1.56Å | 1.54Å | |
| C4 | C3 | sing | 1.56Å | 1.56Å | |
| N1 | C1 | sing | 1.47Å | 1.51Å | |
| C6 | C1 | sing | 1.56Å | 1.59Å | |
| C6 | C7 | sing | 1.57Å | 1.54Å | |
| C3 | C7 | sing | 1.57Å | 1.51Å | |
| C3 | C2 | sing | 1.56Å | 1.52Å | |
| C1 | C2 | sing | 1.55Å | 1.56Å | |
| C1 | C8 | sing | 1.51Å | 1.55Å | |
| C8 | O2 | doub | 1.21Å | 1.18Å | |
| C8 | O1 | sing | 1.34Å | 1.20Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 101.8° | 104.6° |
| C5 | C4 | C3 | 103.0° | 104.7° |
| C5 | C4 | H7 | 111.1° | 110.4° |
| C5 | C4 | H8 | 111.0° | 110.5° |
| C4 | C5 | H9 | 111.3° | 110.4° |
| C4 | C5 | H10 | 111.4° | 110.4° |
| C5 | C6 | C1 | 113.9° | 104.5° |
| C5 | C6 | C7 | 98.6° | 100.7° |
| C6 | C5 | H9 | 111.3° | 110.4° |
| C6 | C5 | H10 | 111.4° | 110.4° |
| C5 | C6 | H11 | 113.9° | 115.9° |
| C4 | C3 | C7 | 101.8° | 100.6° |
| C4 | C3 | C2 | 109.4° | 104.5° |
| C4 | C3 | H6 | 114.0° | 116.6° |
| C3 | C4 | H7 | 111.1° | 110.4° |
| C3 | C4 | H8 | 111.1° | 110.4° |
| N1 | C1 | C6 | 112.1° | 110.4° |
| N1 | C1 | C2 | 113.8° | 110.4° |
| N1 | C1 | C8 | 104.5° | 110.4° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| C1 | C6 | C7 | 102.0° | 100.6° |
| C6 | C1 | C2 | 100.0° | 104.6° |
| C6 | C1 | C8 | 116.6° | 110.5° |
| C1 | C6 | H11 | 113.1° | 115.8° |
| C6 | C7 | C3 | 94.4° | 96.1° |
| C7 | C6 | H11 | 113.9° | 116.9° |
| C6 | C7 | H12 | 113.1° | 112.0° |
| C6 | C7 | H13 | 113.1° | 112.0° |
| C7 | C3 | C2 | 100.7° | 100.6° |
| C7 | C3 | H6 | 114.8° | 116.2° |
| C3 | C7 | H12 | 113.1° | 112.0° |
| C3 | C7 | H13 | 113.1° | 112.0° |
| C3 | C2 | C1 | 105.3° | 104.7° |
| C3 | C2 | H4 | 110.5° | 110.4° |
| C3 | C2 | H5 | 110.5° | 110.5° |
| C2 | C3 | H6 | 114.7° | 115.9° |
| C2 | C1 | C8 | 110.2° | 110.4° |
| C1 | C2 | H4 | 110.5° | 110.4° |
| C1 | C2 | H5 | 110.5° | 110.4° |
| C1 | C8 | O2 | 120.8° | 120.0° |
| C1 | C8 | O1 | 120.6° | 120.0° |
| O2 | C8 | O1 | 118.5° | 120.0° |
| C8 | O1 | H14 | 109.5° | 117.0° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H4 | C2 | H5 | 109.5° | 110.4° |
| H7 | C4 | H8 | 109.5° | 110.3° |
| H9 | C5 | H10 | 109.5° | 110.5° |
| H12 | C7 | H13 | 109.5° | 111.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H9 | 118.7° | 118.8° |
| C4 | C5 | C6 | H10 | 118.8° | 118.8° |
| C5 | C4 | C3 | H7 | 119.0° | 118.8° |
| C5 | C4 | C3 | H8 | 118.9° | 119.0° |
| C4 | C5 | C6 | C1 | 62.8° | 70.3° |
| C4 | C5 | C6 | C7 | 44.5° | 33.7° |
| C5 | C4 | C3 | C7 | 27.9° | 33.8° |
| C5 | C4 | C3 | C2 | 78.1° | 70.3° |
| C5 | C4 | C3 | H6 | 152.0° | 160.4° |
| C5 | C4 | H7 | H8 | 123.0° | 122.5° |
| C4 | C5 | H9 | H10 | 123.6° | 122.4° |
| C4 | C5 | C6 | H11 | 165.5° | 160.9° |
| C6 | C5 | C4 | C3 | 10.5° | 0.0° |
| C5 | C6 | C1 | N1 | 47.5° | 48.5° |
| C5 | C6 | C1 | C7 | 105.1° | 104.1° |
| C5 | C6 | C1 | H11 | 132.1° | 128.9° |
| C5 | C6 | C7 | H11 | 121.0° | 126.5° |
| C5 | C6 | C7 | C3 | 61.4° | 53.5° |
| C5 | C6 | C1 | C2 | 73.4° | 70.3° |
| C5 | C6 | C1 | C8 | 167.8° | 170.9° |
| C6 | C5 | C4 | H7 | 129.5° | 118.8° |
| C6 | C5 | C4 | H8 | 108.4° | 118.8° |
| C6 | C5 | H9 | H10 | 123.6° | 122.4° |
| C5 | C6 | C7 | H12 | 178.8° | 63.2° |
| C5 | C6 | C7 | H13 | 56.0° | 170.3° |
| C4 | C3 | C7 | C6 | 54.6° | 53.5° |
| C4 | C3 | C7 | C2 | 112.6° | 107.1° |
| C4 | C3 | C7 | H6 | 123.6° | 126.9° |
| C4 | C3 | C2 | H6 | 129.5° | 129.7° |
| C4 | C3 | C2 | C1 | 67.0° | 70.3° |
| C4 | C3 | C2 | H4 | 173.7° | 48.5° |
| C4 | C3 | C2 | H5 | 52.4° | 170.9° |
| C3 | C4 | H7 | H8 | 123.0° | 122.3° |
| C3 | C4 | C5 | H9 | 129.3° | 118.7° |
| C3 | C4 | C5 | H10 | 108.2° | 118.8° |
| C4 | C3 | C7 | H12 | 172.0° | 63.2° |
| C4 | C3 | C7 | H13 | 62.8° | 170.3° |
| N1 | C1 | C6 | C2 | 120.9° | 118.7° |
| N1 | C1 | C6 | C8 | 120.3° | 122.4° |
| N1 | C1 | C6 | C7 | 152.6° | 152.5° |
| N1 | C1 | C2 | C3 | 115.3° | 118.8° |
| N1 | C1 | C2 | C8 | 116.9° | 122.3° |
| N1 | C1 | C8 | O2 | 127.3° | 145.7° |
| N1 | C1 | C8 | O1 | 52.7° | 34.3° |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | H4 | 125.4° | 0.1° |
| N1 | C1 | C2 | H5 | 4.1° | 122.3° |
| N1 | C1 | C6 | H11 | 84.6° | 80.4° |
| C1 | C6 | C7 | H11 | 122.2° | 126.4° |
| C1 | C6 | C7 | C3 | 55.4° | 53.6° |
| C6 | C1 | C2 | C3 | 4.4° | 0.0° |
| C6 | C1 | C2 | C8 | 123.4° | 118.9° |
| C6 | C1 | C8 | O2 | 3.0° | 23.3° |
| C6 | C1 | C8 | O1 | 177.0° | 156.7° |
| C6 | C1 | N1 | H1 | 180.0° | 65.8° |
| C6 | C1 | N1 | H2 | 60.0° | 170.2° |
| C6 | C1 | C2 | H4 | 114.9° | 118.8° |
| C6 | C1 | C2 | H5 | 123.8° | 118.9° |
| C1 | C6 | C5 | H9 | 55.9° | 48.5° |
| C1 | C6 | C5 | H10 | 178.4° | 170.9° |
| C1 | C6 | C7 | H12 | 62.0° | 170.4° |
| C1 | C6 | C7 | H13 | 172.9° | 63.2° |
| C6 | C7 | C3 | H12 | 117.4° | 116.7° |
| C6 | C7 | C3 | H13 | 117.4° | 116.8° |
| C6 | C7 | C3 | C2 | 58.0° | 53.6° |
| C7 | C6 | C1 | C2 | 31.7° | 33.8° |
| C7 | C6 | C1 | C8 | 87.0° | 85.0° |
| C6 | C7 | C3 | H6 | 178.3° | 179.6° |
| C7 | C6 | C5 | H9 | 163.2° | 152.5° |
| C7 | C6 | C5 | H10 | 74.2° | 85.0° |
| C6 | C7 | H12 | H13 | 127.1° | 126.6° |
| C7 | C3 | C2 | H6 | 123.8° | 126.2° |
| C7 | C3 | C2 | C1 | 39.8° | 33.8° |
| C7 | C3 | C2 | H4 | 79.6° | 152.6° |
| C7 | C3 | C2 | H5 | 159.1° | 85.0° |
| C7 | C3 | C4 | H7 | 91.1° | 152.6° |
| C7 | C3 | C4 | H8 | 146.8° | 85.2° |
| C3 | C7 | C6 | H11 | 177.6° | 180.0° |
| C3 | C7 | H12 | H13 | 127.1° | 126.7° |
| C3 | C2 | C1 | H4 | 119.3° | 118.8° |
| C3 | C2 | C1 | H5 | 119.3° | 118.9° |
| C3 | C2 | C1 | C8 | 127.8° | 118.9° |
| C3 | C2 | H4 | H5 | 122.0° | 122.4° |
| C2 | C3 | C4 | H7 | 162.9° | 48.5° |
| C2 | C3 | C4 | H8 | 40.8° | 170.8° |
| C2 | C3 | C7 | H12 | 59.4° | 170.3° |
| C2 | C3 | C7 | H13 | 175.4° | 63.2° |
| C2 | C1 | C8 | O2 | 110.1° | 92.0° |
| C2 | C1 | C8 | O1 | 70.0° | 88.0° |
| C2 | C1 | N1 | H1 | 67.4° | 179.0° |
| C2 | C1 | N1 | H2 | 52.6° | 55.1° |
| C1 | C2 | H4 | H5 | 121.9° | 122.3° |
| C1 | C2 | C3 | H6 | 163.5° | 160.0° |
| C2 | C1 | C6 | H11 | 154.5° | 160.9° |
| C1 | C8 | O2 | O1 | 180.0° | 180.0° |
| C8 | C1 | N1 | H1 | 52.8° | 56.7° |
| C8 | C1 | N1 | H2 | 172.8° | 67.3° |
| C8 | C1 | C2 | H4 | 8.5° | 122.3° |
| C8 | C1 | C2 | H5 | 112.9° | 0.0° |
| C8 | C1 | C6 | H11 | 35.7° | 42.0° |
| C1 | C8 | O1 | H14 | 180.0° | 179.9° |
| O2 | C8 | O1 | H14 | 0.0° | 0.1° |
| H4 | C2 | C3 | H6 | 44.2° | 81.2° |
| H5 | C2 | C3 | H6 | 77.1° | 41.2° |
| H6 | C3 | C4 | H7 | 33.0° | 80.8° |
| H6 | C3 | C4 | H8 | 89.1° | 41.4° |
| H6 | C3 | C7 | H12 | 64.3° | 63.7° |
| H6 | C3 | C7 | H13 | 60.8° | 62.8° |
| H7 | C4 | C5 | H9 | 111.8° | 0.0° |
| H7 | C4 | C5 | H10 | 10.7° | 122.4° |
| H8 | C4 | C5 | H9 | 10.3° | 122.4° |
| H8 | C4 | C5 | H10 | 132.8° | 0.1° |
| H9 | C5 | C6 | H11 | 75.8° | 80.4° |
| H10 | C5 | C6 | H11 | 46.7° | 42.1° |
| H11 | C6 | C7 | H12 | 60.2° | 63.3° |
| H11 | C6 | C7 | H13 | 65.0° | 63.2° |
