SVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C7 | doub | 1.21Å | 1.24Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C7 | N6 | sing | 1.35Å | 1.35Å | |
| C7 | C9 | sing | 1.51Å | 1.52Å | |
| C1 | N6 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| N6 | C5 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C2 | C20 | sing | 1.53Å | 1.55Å | |
| C2 | N3 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C8 | sing | 1.47Å | 1.48Å | |
| C8 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | CL24 | sing | 1.74Å | 1.77Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C7 | N6 | 122.6° | 120.0° |
| O10 | C7 | C9 | 120.7° | 120.0° |
| C22 | C21 | C20 | 112.9° | 109.5° |
| C22 | C21 | C23 | 110.4° | 109.5° |
| C22 | C21 | H13 | 107.5° | 109.5° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| C21 | C22 | H15 | 109.4° | 109.4° |
| C21 | C22 | H16 | 109.5° | 109.5° |
| N6 | C7 | C9 | 116.7° | 120.0° |
| C7 | N6 | C1 | 120.3° | 120.9° |
| C7 | N6 | C5 | 125.7° | 120.9° |
| C7 | C9 | H23 | 109.5° | 109.5° |
| C7 | C9 | H24 | 109.4° | 109.5° |
| C7 | C9 | H25 | 109.4° | 109.5° |
| N6 | C1 | C2 | 113.3° | 108.5° |
| C1 | N6 | C5 | 113.9° | 118.2° |
| N6 | C1 | H1 | 108.5° | 109.6° |
| N6 | C1 | H2 | 108.5° | 109.6° |
| C1 | C2 | C20 | 108.2° | 109.5° |
| C1 | C2 | N3 | 110.4° | 109.4° |
| C2 | C1 | H1 | 108.5° | 109.6° |
| C2 | C1 | H2 | 108.5° | 109.7° |
| C1 | C2 | H19 | 108.0° | 109.5° |
| N6 | C5 | C4 | 110.6° | 108.5° |
| N6 | C5 | H5 | 109.2° | 109.6° |
| N6 | C5 | H6 | 109.2° | 109.8° |
| C20 | C21 | C23 | 110.7° | 109.5° |
| C21 | C20 | C2 | 116.7° | 109.5° |
| C21 | C20 | H11 | 107.6° | 109.5° |
| C21 | C20 | H12 | 107.6° | 109.4° |
| C20 | C21 | H13 | 107.5° | 109.4° |
| C23 | C21 | H13 | 107.6° | 109.5° |
| C21 | C23 | H20 | 109.5° | 109.5° |
| C21 | C23 | H21 | 109.5° | 109.4° |
| C21 | C23 | H22 | 109.5° | 109.4° |
| C20 | C2 | N3 | 113.6° | 109.5° |
| C2 | C20 | H11 | 107.7° | 109.5° |
| C2 | C20 | H12 | 107.6° | 109.5° |
| C20 | C2 | H19 | 107.9° | 109.5° |
| C2 | N3 | C4 | 109.2° | 111.2° |
| C2 | N3 | C8 | 112.7° | 111.0° |
| N3 | C2 | H19 | 108.6° | 109.5° |
| C5 | C4 | N3 | 111.6° | 109.4° |
| C5 | C4 | H3 | 109.0° | 109.5° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.6° |
| C4 | C5 | H6 | 109.2° | 109.7° |
| C4 | N3 | C8 | 109.3° | 111.0° |
| N3 | C4 | H3 | 108.9° | 109.4° |
| N3 | C4 | H4 | 109.0° | 109.5° |
| N3 | C8 | C11 | 118.0° | 109.5° |
| N3 | C8 | H7 | 107.3° | 109.5° |
| N3 | C8 | H8 | 107.3° | 109.5° |
| C8 | C11 | C16 | 121.6° | 120.0° |
| C8 | C11 | C12 | 119.7° | 120.0° |
| C11 | C8 | H7 | 107.3° | 109.5° |
| C11 | C8 | H8 | 107.3° | 109.5° |
| C16 | C11 | C12 | 118.7° | 120.0° |
| C11 | C16 | C15 | 120.8° | 120.0° |
| C11 | C16 | H10 | 119.6° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H17 | 120.2° | 120.0° |
| C16 | C15 | C14 | 120.9° | 120.0° |
| C15 | C16 | H10 | 119.6° | 120.0° |
| C16 | C15 | H18 | 119.6° | 120.0° |
| C12 | C13 | C14 | 122.1° | 120.0° |
| C12 | C13 | CL24 | 118.9° | 120.0° |
| C13 | C12 | H17 | 120.2° | 120.0° |
| C15 | C14 | C13 | 117.9° | 120.0° |
| C15 | C14 | H9 | 121.1° | 120.0° |
| C14 | C15 | H18 | 119.6° | 120.0° |
| C14 | C13 | CL24 | 118.9° | 120.0° |
| C13 | C14 | H9 | 121.0° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.8° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.6° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H16 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.4° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
| H23 | C9 | H25 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C7 | N6 | C9 | 179.9° | 180.0° |
| O10 | C7 | N6 | C1 | 0.1° | 4.7° |
| O10 | C7 | N6 | C5 | 180.0° | 175.3° |
| O10 | C7 | C9 | H23 | 0.0° | 174.5° |
| O10 | C7 | C9 | H24 | 120.0° | 54.5° |
| O10 | C7 | C9 | H25 | 120.0° | 65.5° |
| C22 | C21 | C20 | C23 | 124.4° | 120.0° |
| C22 | C21 | C20 | H13 | 118.4° | 120.0° |
| C22 | C21 | C23 | H13 | 117.1° | 120.0° |
| C22 | C21 | C20 | C2 | 47.7° | 66.0° |
| C22 | C21 | C20 | H11 | 168.8° | 174.0° |
| C22 | C21 | C20 | H12 | 73.4° | 54.0° |
| C21 | C22 | H14 | H15 | 120.0° | 120.0° |
| C21 | C22 | H14 | H16 | 120.0° | 120.0° |
| C21 | C22 | H15 | H16 | 120.0° | 120.0° |
| C22 | C21 | C23 | H20 | 180.0° | 180.0° |
| C22 | C21 | C23 | H21 | 60.0° | 60.0° |
| C22 | C21 | C23 | H22 | 60.0° | 60.0° |
| C7 | N6 | C1 | C5 | 179.9° | 180.0° |
| C7 | N6 | C1 | C2 | 121.5° | 128.9° |
| C7 | N6 | C5 | C4 | 149.2° | 128.8° |
| C7 | N6 | C1 | H1 | 117.9° | 111.5° |
| C7 | N6 | C1 | H2 | 1.0° | 9.1° |
| C7 | N6 | C5 | H5 | 29.0° | 9.1° |
| C7 | N6 | C5 | H6 | 90.6° | 111.3° |
| N6 | C7 | C9 | H23 | 179.9° | 5.5° |
| N6 | C7 | C9 | H24 | 60.1° | 125.5° |
| N6 | C7 | C9 | H25 | 59.9° | 114.5° |
| C9 | C7 | N6 | C1 | 180.0° | 175.3° |
| C9 | C7 | N6 | C5 | 0.1° | 4.7° |
| C7 | C9 | H23 | H24 | 120.0° | 120.0° |
| C7 | C9 | H23 | H25 | 120.0° | 120.0° |
| C7 | C9 | H24 | H25 | 120.0° | 120.0° |
| N6 | C1 | C2 | H1 | 120.6° | 119.7° |
| N6 | C1 | C2 | H2 | 120.6° | 119.8° |
| N6 | C1 | C2 | C20 | 105.0° | 173.8° |
| N6 | C1 | C2 | N3 | 19.9° | 53.8° |
| C1 | N6 | C5 | C4 | 30.8° | 51.2° |
| N6 | C1 | H1 | H2 | 118.3° | 120.5° |
| C1 | N6 | C5 | H5 | 151.0° | 170.9° |
| C1 | N6 | C5 | H6 | 89.3° | 68.7° |
| N6 | C1 | C2 | H19 | 138.5° | 66.2° |
| C2 | C1 | N6 | C5 | 58.5° | 51.1° |
| C1 | C2 | C20 | C21 | 111.1° | 52.5° |
| C1 | C2 | C20 | N3 | 123.0° | 119.9° |
| C1 | C2 | C20 | H19 | 116.5° | 120.0° |
| C1 | C2 | N3 | H19 | 118.2° | 120.0° |
| C1 | C2 | N3 | C4 | 40.0° | 63.1° |
| C1 | C2 | N3 | C8 | 161.7° | 172.7° |
| C2 | C1 | H1 | H2 | 118.2° | 120.5° |
| C1 | C2 | C20 | H11 | 127.9° | 67.5° |
| C1 | C2 | C20 | H12 | 10.0° | 172.4° |
| N6 | C5 | C4 | H5 | 120.2° | 119.7° |
| N6 | C5 | C4 | H6 | 120.2° | 119.9° |
| N6 | C5 | C4 | N3 | 30.9° | 53.9° |
| C5 | N6 | C1 | H1 | 62.1° | 68.5° |
| C5 | N6 | C1 | H2 | 179.1° | 170.9° |
| N6 | C5 | C4 | H3 | 151.2° | 173.8° |
| N6 | C5 | C4 | H4 | 89.4° | 66.1° |
| N6 | C5 | H5 | H6 | 119.5° | 120.5° |
| C20 | C21 | C23 | H13 | 117.2° | 119.9° |
| C21 | C20 | C2 | H11 | 121.1° | 120.0° |
| C21 | C20 | C2 | H12 | 121.0° | 119.9° |
| C21 | C20 | C2 | N3 | 125.9° | 67.4° |
| C21 | C20 | H11 | H12 | 116.7° | 120.0° |
| C20 | C21 | C22 | H14 | 180.0° | 57.9° |
| C20 | C21 | C22 | H15 | 60.0° | 62.1° |
| C20 | C21 | C22 | H16 | 60.0° | 177.9° |
| C21 | C20 | C2 | H19 | 5.5° | 172.5° |
| C20 | C21 | C23 | H20 | 54.2° | 60.0° |
| C20 | C21 | C23 | H21 | 65.7° | 180.0° |
| C20 | C21 | C23 | H22 | 174.3° | 60.0° |
| C23 | C21 | C20 | C2 | 76.7° | 173.9° |
| C23 | C21 | C20 | H11 | 44.4° | 53.9° |
| C23 | C21 | C20 | H12 | 162.3° | 66.1° |
| C23 | C21 | C22 | H14 | 55.5° | 178.0° |
| C23 | C21 | C22 | H15 | 64.5° | 58.0° |
| C23 | C21 | C22 | H16 | 175.4° | 62.0° |
| C21 | C23 | H20 | H21 | 120.0° | 120.0° |
| C21 | C23 | H20 | H22 | 120.0° | 120.0° |
| C21 | C23 | H21 | H22 | 120.0° | 119.9° |
| C20 | C2 | N3 | H19 | 120.0° | 120.0° |
| C20 | C2 | N3 | C4 | 161.8° | 177.0° |
| C20 | C2 | N3 | C8 | 76.6° | 52.8° |
| C20 | C2 | C1 | H1 | 134.4° | 54.1° |
| C20 | C2 | C1 | H2 | 15.5° | 66.5° |
| C2 | C20 | H11 | H12 | 116.7° | 120.0° |
| C2 | C20 | C21 | H13 | 166.1° | 54.0° |
| C2 | N3 | C4 | C5 | 68.6° | 63.1° |
| C2 | N3 | C4 | C8 | 123.6° | 124.2° |
| C2 | N3 | C8 | C11 | 157.9° | 173.7° |
| N3 | C2 | C1 | H1 | 100.7° | 65.9° |
| N3 | C2 | C1 | H2 | 140.5° | 173.5° |
| C2 | N3 | C4 | H3 | 171.0° | 177.0° |
| C2 | N3 | C4 | H4 | 51.7° | 56.9° |
| C2 | N3 | C8 | H7 | 36.7° | 53.6° |
| C2 | N3 | C8 | H8 | 80.9° | 66.3° |
| N3 | C2 | C20 | H11 | 4.9° | 172.6° |
| N3 | C2 | C20 | H12 | 113.0° | 52.5° |
| C5 | C4 | N3 | H3 | 120.3° | 119.9° |
| C5 | C4 | N3 | H4 | 120.3° | 120.0° |
| C5 | C4 | N3 | C8 | 167.7° | 172.7° |
| C5 | C4 | H3 | H4 | 119.0° | 120.1° |
| C4 | C5 | H5 | H6 | 119.5° | 120.5° |
| C4 | N3 | C8 | C11 | 36.3° | 62.0° |
| N3 | C4 | H3 | H4 | 119.0° | 120.0° |
| N3 | C4 | C5 | H5 | 89.3° | 173.5° |
| N3 | C4 | C5 | H6 | 151.0° | 66.0° |
| C4 | N3 | C8 | H7 | 84.9° | 178.0° |
| C4 | N3 | C8 | H8 | 157.5° | 58.0° |
| C4 | N3 | C2 | H19 | 78.2° | 56.9° |
| N3 | C8 | C11 | H7 | 121.2° | 120.1° |
| N3 | C8 | C11 | H8 | 121.2° | 120.0° |
| N3 | C8 | C11 | C16 | 110.1° | 90.6° |
| N3 | C8 | C11 | C12 | 70.3° | 89.7° |
| C8 | N3 | C4 | H3 | 47.4° | 52.8° |
| C8 | N3 | C4 | H4 | 72.0° | 67.3° |
| N3 | C8 | H7 | H8 | 116.1° | 120.0° |
| C8 | N3 | C2 | H19 | 43.5° | 67.3° |
| C8 | C11 | C16 | C12 | 179.7° | 179.7° |
| C8 | C11 | C16 | C15 | 179.9° | 180.0° |
| C8 | C11 | C12 | C13 | 180.0° | 180.0° |
| C11 | C8 | H7 | H8 | 116.1° | 120.0° |
| C8 | C11 | C16 | H10 | 0.1° | 0.1° |
| C8 | C11 | C12 | H17 | 0.0° | 0.1° |
| C11 | C16 | C15 | H10 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 0.3° | 0.3° |
| C11 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C11 | C8 | H7 | 11.1° | 149.3° |
| C16 | C11 | C8 | H8 | 128.7° | 29.4° |
| C16 | C11 | C12 | H17 | 179.7° | 179.8° |
| C11 | C16 | C15 | H18 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.3° |
| C11 | C12 | C13 | H17 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | CL24 | 180.0° | 179.9° |
| C12 | C11 | C8 | H7 | 168.5° | 30.4° |
| C12 | C11 | C8 | H8 | 51.0° | 150.3° |
| C12 | C11 | C16 | H10 | 179.8° | 179.7° |
| C16 | C15 | C14 | H18 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.3° |
| C16 | C15 | C14 | H9 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C12 | C13 | C14 | CL24 | 179.7° | 180.0° |
| C12 | C13 | C14 | H9 | 179.8° | 180.0° |
| C15 | C14 | C13 | H9 | 180.0° | 179.7° |
| C15 | C14 | C13 | CL24 | 179.9° | 179.8° |
| C14 | C15 | C16 | H10 | 179.9° | 179.9° |
| C14 | C13 | C12 | H17 | 179.7° | 180.0° |
| C13 | C14 | C15 | H18 | 179.9° | 179.7° |
| CL24 | C13 | C14 | H9 | 0.1° | 0.1° |
| CL24 | C13 | C12 | H17 | 0.0° | 0.0° |
| H1 | C1 | C2 | H19 | 17.9° | 174.1° |
| H2 | C1 | C2 | H19 | 100.9° | 53.6° |
| H3 | C4 | C5 | H5 | 31.0° | 66.6° |
| H3 | C4 | C5 | H6 | 88.6° | 53.9° |
| H4 | C4 | C5 | H5 | 150.4° | 53.5° |
| H4 | C4 | C5 | H6 | 30.7° | 174.0° |
| H9 | C14 | C15 | H18 | 0.1° | 0.0° |
| H10 | C16 | C15 | H18 | 0.1° | 0.0° |
| H11 | C20 | C21 | H13 | 72.9° | 66.0° |
| H11 | C20 | C2 | H19 | 115.6° | 52.5° |
| H12 | C20 | C21 | H13 | 45.0° | 173.9° |
| H12 | C20 | C2 | H19 | 126.5° | 67.5° |
| H13 | C21 | C22 | H14 | 61.6° | 62.0° |
| H13 | C21 | C22 | H15 | 178.4° | 178.0° |
| H13 | C21 | C22 | H16 | 58.3° | 58.0° |
| H13 | C21 | C23 | H20 | 62.9° | 60.0° |
| H13 | C21 | C23 | H21 | 177.1° | 60.1° |
| H13 | C21 | C23 | H22 | 57.1° | 180.0° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.0° |
| H23 | C9 | H24 | H25 | 120.0° | 120.0° |
