1SV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C13 | C11 | doub | 1.31Å | 1.32Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C10 | sing | 1.53Å | 1.52Å | |
| C4 | C9 | sing | 1.50Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C11 | C7 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | N1 | doub | 1.27Å | 1.33Å | |
| C9 | C8 | sing | 1.52Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 114.9° | 109.3° |
| C5 | C6 | C7 | 115.5° | 109.8° |
| C5 | C6 | H10 | 108.0° | 109.4° |
| C5 | C6 | H11 | 107.9° | 109.4° |
| C6 | C5 | H12 | 108.1° | 109.5° |
| C6 | C5 | H13 | 108.1° | 109.5° |
| C5 | C4 | C3 | 107.3° | 110.1° |
| C5 | C4 | C10 | 110.6° | 108.3° |
| C5 | C4 | C9 | 108.7° | 109.2° |
| C4 | C5 | H12 | 108.1° | 109.5° |
| C4 | C5 | H13 | 108.1° | 109.5° |
| C4 | C3 | C2 | 112.3° | 110.2° |
| C3 | C4 | C10 | 110.1° | 108.0° |
| C3 | C4 | C9 | 111.8° | 112.7° |
| C4 | C3 | H5 | 108.7° | 109.4° |
| C4 | C3 | H6 | 108.8° | 109.3° |
| C3 | C2 | C1 | 109.4° | 108.3° |
| C3 | C2 | H1 | 109.5° | 109.7° |
| C3 | C2 | H2 | 109.5° | 109.8° |
| C2 | C3 | H5 | 108.8° | 109.2° |
| C2 | C3 | H6 | 108.7° | 109.5° |
| C13 | C11 | C7 | 120.4° | 120.0° |
| C13 | C11 | C12 | 119.4° | 120.0° |
| C11 | C13 | H20 | 120.0° | 120.0° |
| C11 | C13 | H21 | 120.0° | 120.1° |
| C6 | C7 | C11 | 111.3° | 109.4° |
| C6 | C7 | C8 | 111.3° | 109.5° |
| C6 | C7 | H9 | 107.7° | 109.4° |
| C7 | C6 | H10 | 107.9° | 109.4° |
| C7 | C6 | H11 | 108.0° | 109.4° |
| C10 | C4 | C9 | 108.3° | 108.4° |
| C4 | C10 | H14 | 109.5° | 109.5° |
| C4 | C10 | H15 | 109.5° | 109.5° |
| C4 | C10 | H16 | 109.5° | 109.5° |
| C4 | C9 | N1 | 122.1° | 124.2° |
| C4 | C9 | C8 | 121.7° | 117.6° |
| C2 | C1 | N1 | 111.6° | 109.4° |
| C1 | C2 | H1 | 109.5° | 109.6° |
| C1 | C2 | H2 | 109.5° | 109.7° |
| C2 | C1 | H3 | 108.9° | 109.5° |
| C2 | C1 | H4 | 108.9° | 109.5° |
| C7 | C11 | C12 | 120.1° | 120.0° |
| C11 | C7 | C8 | 110.6° | 109.5° |
| C11 | C7 | H9 | 108.0° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C1 | N1 | C9 | 124.3° | 124.2° |
| N1 | C1 | H3 | 108.9° | 109.5° |
| N1 | C1 | H4 | 108.9° | 109.5° |
| C1 | N1 | H22 | 117.9° | 117.9° |
| C7 | C8 | C9 | 111.1° | 108.3° |
| C7 | C8 | H7 | 109.1° | 109.7° |
| C7 | C8 | H8 | 109.0° | 109.7° |
| C8 | C7 | H9 | 107.8° | 109.5° |
| N1 | C9 | C8 | 116.2° | 118.2° |
| C9 | N1 | H22 | 117.9° | 117.9° |
| C9 | C8 | H7 | 109.1° | 109.7° |
| C9 | C8 | H8 | 109.1° | 109.7° |
| H1 | C2 | H2 | 109.5° | 109.7° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.2° |
| H7 | C8 | H8 | 109.5° | 109.7° |
| H10 | C6 | H11 | 109.4° | 109.4° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H12 | 120.8° | 120.0° |
| C6 | C5 | C4 | H13 | 120.8° | 120.0° |
| C6 | C5 | C4 | C3 | 164.6° | 178.9° |
| C5 | C6 | C7 | H10 | 120.9° | 120.1° |
| C5 | C6 | C7 | H11 | 120.9° | 120.0° |
| C6 | C5 | C4 | C10 | 75.2° | 63.2° |
| C6 | C5 | C4 | C9 | 43.6° | 54.7° |
| C5 | C6 | C7 | C11 | 73.7° | 56.5° |
| C5 | C6 | C7 | C8 | 50.2° | 63.5° |
| C5 | C6 | C7 | H9 | 168.1° | 176.5° |
| C5 | C6 | H10 | H11 | 117.3° | 119.8° |
| C6 | C5 | H12 | H13 | 117.5° | 120.1° |
| C5 | C4 | C3 | C10 | 120.4° | 118.1° |
| C5 | C4 | C3 | C9 | 119.1° | 122.2° |
| C5 | C4 | C3 | C2 | 160.2° | 158.1° |
| C4 | C5 | C6 | C7 | 50.1° | 62.7° |
| C5 | C4 | C10 | C9 | 119.0° | 118.4° |
| C5 | C4 | C9 | N1 | 134.5° | 128.1° |
| C5 | C4 | C9 | C8 | 45.2° | 51.9° |
| C5 | C4 | C3 | H5 | 79.3° | 38.1° |
| C5 | C4 | C3 | H6 | 39.8° | 81.4° |
| C4 | C5 | C6 | H10 | 171.0° | 57.4° |
| C4 | C5 | C6 | H11 | 70.8° | 177.2° |
| C4 | C5 | H12 | H13 | 117.6° | 120.0° |
| C5 | C4 | C10 | H14 | 180.0° | 58.5° |
| C5 | C4 | C10 | H15 | 60.0° | 61.5° |
| C5 | C4 | C10 | H16 | 60.0° | 178.4° |
| C4 | C3 | C2 | H5 | 120.4° | 120.1° |
| C4 | C3 | C2 | H6 | 120.4° | 120.3° |
| C3 | C4 | C10 | C9 | 122.5° | 122.3° |
| C4 | C3 | C2 | C1 | 59.6° | 61.5° |
| C3 | C4 | C9 | N1 | 16.2° | 5.4° |
| C3 | C4 | C9 | C8 | 163.5° | 174.7° |
| C4 | C3 | C2 | H1 | 60.4° | 178.9° |
| C4 | C3 | C2 | H2 | 179.5° | 58.3° |
| C4 | C3 | H5 | H6 | 118.7° | 119.6° |
| C3 | C4 | C5 | H12 | 74.6° | 58.9° |
| C3 | C4 | C5 | H13 | 43.9° | 61.1° |
| C3 | C4 | C10 | H14 | 61.5° | 177.7° |
| C3 | C4 | C10 | H15 | 178.5° | 57.7° |
| C3 | C4 | C10 | H16 | 58.5° | 62.4° |
| C2 | C3 | C4 | C10 | 79.3° | 83.7° |
| C2 | C3 | C4 | C9 | 41.1° | 35.9° |
| C3 | C2 | C1 | H1 | 120.0° | 119.7° |
| C3 | C2 | C1 | H2 | 120.0° | 119.8° |
| C3 | C2 | C1 | N1 | 50.9° | 55.7° |
| C3 | C2 | H1 | H2 | 120.1° | 120.6° |
| C3 | C2 | C1 | H3 | 171.3° | 175.6° |
| C3 | C2 | C1 | H4 | 69.4° | 64.3° |
| C2 | C3 | H5 | H6 | 118.7° | 119.7° |
| C13 | C11 | C7 | C6 | 29.4° | 58.3° |
| C13 | C11 | C7 | C12 | 179.2° | 180.0° |
| C13 | C11 | C7 | C8 | 153.7° | 178.4° |
| C13 | C11 | C7 | H9 | 88.7° | 61.6° |
| C13 | C11 | C12 | H17 | 180.0° | 95.4° |
| C13 | C11 | C12 | H18 | 60.0° | 24.6° |
| C13 | C11 | C12 | H19 | 60.0° | 144.6° |
| C11 | C13 | H20 | H21 | 180.0° | 179.9° |
| C6 | C7 | C11 | C8 | 124.3° | 120.1° |
| C6 | C7 | C11 | H9 | 118.0° | 120.0° |
| C6 | C7 | C11 | C12 | 151.4° | 121.7° |
| C6 | C7 | C8 | H9 | 117.9° | 120.0° |
| C6 | C7 | C8 | C9 | 46.3° | 55.3° |
| C6 | C7 | C8 | H7 | 166.6° | 64.4° |
| C6 | C7 | C8 | H8 | 73.9° | 175.0° |
| C7 | C6 | H10 | H11 | 117.3° | 119.9° |
| C7 | C6 | C5 | H12 | 170.9° | 57.2° |
| C7 | C6 | C5 | H13 | 70.7° | 177.3° |
| C10 | C4 | C9 | N1 | 105.3° | 114.0° |
| C10 | C4 | C9 | C8 | 75.0° | 65.9° |
| C10 | C4 | C3 | H5 | 41.1° | 156.2° |
| C10 | C4 | C3 | H6 | 160.2° | 36.7° |
| C10 | C4 | C5 | H12 | 45.6° | 176.8° |
| C10 | C4 | C5 | H13 | 164.0° | 56.7° |
| C4 | C10 | H14 | H15 | 120.0° | 120.0° |
| C4 | C10 | H14 | H16 | 120.0° | 120.0° |
| C4 | C10 | H15 | H16 | 120.0° | 120.1° |
| C4 | C9 | N1 | C1 | 10.1° | 0.6° |
| C4 | C9 | C8 | C7 | 47.9° | 52.0° |
| C4 | C9 | N1 | C8 | 179.7° | 180.0° |
| C9 | C4 | C3 | H5 | 161.5° | 84.1° |
| C9 | C4 | C3 | H6 | 79.3° | 156.3° |
| C4 | C9 | C8 | H7 | 168.1° | 67.6° |
| C4 | C9 | C8 | H8 | 72.3° | 171.8° |
| C9 | C4 | C5 | H12 | 164.3° | 65.3° |
| C9 | C4 | C5 | H13 | 77.2° | 174.6° |
| C9 | C4 | C10 | H14 | 61.0° | 60.0° |
| C9 | C4 | C10 | H15 | 59.0° | 180.0° |
| C9 | C4 | C10 | H16 | 179.0° | 60.0° |
| C4 | C9 | N1 | H22 | 169.9° | 179.3° |
| C2 | C1 | N1 | H3 | 120.3° | 119.9° |
| C2 | C1 | N1 | H4 | 120.3° | 120.0° |
| C2 | C1 | N1 | C9 | 27.8° | 26.6° |
| C1 | C2 | H1 | H2 | 120.0° | 120.6° |
| C2 | C1 | H3 | H4 | 119.0° | 120.1° |
| C1 | C2 | C3 | H5 | 180.0° | 58.6° |
| C1 | C2 | C3 | H6 | 60.9° | 178.2° |
| C2 | C1 | N1 | H22 | 152.2° | 153.4° |
| C11 | C7 | C8 | H9 | 117.8° | 120.0° |
| C11 | C7 | C8 | C9 | 78.0° | 64.7° |
| C11 | C7 | C8 | H7 | 42.2° | 175.6° |
| C11 | C7 | C8 | H8 | 161.7° | 55.0° |
| C11 | C7 | C6 | H10 | 47.2° | 176.6° |
| C11 | C7 | C6 | H11 | 165.5° | 63.5° |
| C7 | C11 | C12 | H17 | 0.8° | 84.6° |
| C7 | C11 | C12 | H18 | 120.8° | 155.4° |
| C7 | C11 | C12 | H19 | 119.2° | 35.4° |
| C7 | C11 | C13 | H20 | 179.2° | 0.1° |
| C7 | C11 | C13 | H21 | 0.8° | 180.0° |
| C12 | C11 | C7 | C8 | 27.1° | 1.6° |
| C12 | C11 | C7 | H9 | 90.5° | 118.3° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H19 | 120.0° | 120.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C12 | C11 | C13 | H20 | 0.0° | 180.0° |
| C12 | C11 | C13 | H21 | 180.0° | 0.0° |
| C1 | N1 | C9 | H22 | 180.0° | 180.0° |
| C1 | N1 | C9 | C8 | 169.6° | 179.4° |
| N1 | C1 | C2 | H1 | 69.0° | 175.3° |
| N1 | C1 | C2 | H2 | 170.9° | 64.1° |
| N1 | C1 | H3 | H4 | 119.0° | 120.0° |
| C7 | C8 | C9 | N1 | 131.8° | 128.0° |
| C7 | C8 | C9 | H7 | 120.2° | 119.6° |
| C7 | C8 | C9 | H8 | 120.2° | 119.8° |
| C7 | C8 | H7 | H8 | 119.2° | 120.6° |
| C8 | C7 | C6 | H10 | 171.1° | 56.6° |
| C8 | C7 | C6 | H11 | 70.7° | 176.5° |
| C9 | N1 | C1 | H3 | 148.1° | 146.5° |
| C9 | N1 | C1 | H4 | 92.6° | 93.4° |
| N1 | C9 | C8 | H7 | 11.5° | 112.4° |
| N1 | C9 | C8 | H8 | 108.0° | 8.2° |
| C9 | C8 | H7 | H8 | 119.3° | 120.6° |
| C9 | C8 | C7 | H9 | 164.2° | 175.3° |
| C8 | C9 | N1 | H22 | 10.4° | 0.6° |
| H1 | C2 | C1 | H3 | 51.3° | 64.7° |
| H1 | C2 | C1 | H4 | 170.7° | 55.4° |
| H1 | C2 | C3 | H5 | 60.0° | 61.0° |
| H1 | C2 | C3 | H6 | 179.2° | 58.6° |
| H2 | C2 | C1 | H3 | 68.7° | 55.8° |
| H2 | C2 | C1 | H4 | 50.6° | 175.9° |
| H2 | C2 | C3 | H5 | 60.0° | 178.4° |
| H2 | C2 | C3 | H6 | 59.1° | 62.0° |
| H3 | C1 | N1 | H22 | 31.9° | 33.5° |
| H4 | C1 | N1 | H22 | 87.5° | 86.6° |
| H7 | C8 | C7 | H9 | 75.6° | 55.6° |
| H8 | C8 | C7 | H9 | 43.9° | 65.0° |
| H9 | C7 | C6 | H10 | 71.0° | 63.4° |
| H9 | C7 | C6 | H11 | 47.3° | 56.5° |
| H10 | C6 | C5 | H12 | 68.2° | 177.3° |
| H10 | C6 | C5 | H13 | 50.2° | 62.5° |
| H11 | C6 | C5 | H12 | 50.0° | 62.8° |
| H11 | C6 | C5 | H13 | 168.4° | 57.3° |
| H14 | C10 | H15 | H16 | 120.0° | 119.9° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
