GVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.40Å | 1.38Å | |
| C16 | C17 | sing | 1.40Å | 1.39Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | |
| C18 | C19 | sing | 1.40Å | 1.38Å | |
| C17 | C20 | sing | 1.44Å | 1.47Å | |
| C20 | C21 | doub | 1.37Å | 1.40Å | |
| C21 | N22 | sing | 1.36Å | 1.33Å | |
| N22 | N23 | sing | 1.34Å | 1.36Å | |
| C20 | C24 | sing | 1.40Å | 1.37Å | |
| N23 | C24 | doub | 1.34Å | 1.35Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C9 | H9C1 | sing | 1.10Å | 1.10Å | |
| C9 | H9C2 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| N11 | H11 | sing | 1.02Å | 1.00Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| CL1 | C2 | sing | 1.72Å | 1.74Å | |
| C2 | C3 | sing | 1.40Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | |
| C2 | C7 | doub | 1.40Å | 1.39Å | |
| C6 | C7 | sing | 1.40Å | 1.38Å | |
| C5 | C8 | sing | 1.56Å | 1.54Å | |
| C8 | C9 | sing | 1.57Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | N11 | sing | 1.46Å | 1.49Å | |
| N11 | C12 | sing | 1.46Å | 1.49Å | |
| C8 | C13 | sing | 1.57Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C8 | C14 | sing | 1.55Å | 1.54Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N22 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.6° | 120.0° |
| C16 | C15 | H15 | 119.8° | 119.4° |
| C16 | C15 | C14 | 120.5° | 119.9° |
| C15 | C16 | H16 | 119.7° | 119.1° |
| C16 | C17 | C18 | 118.9° | 120.0° |
| C16 | C17 | C20 | 120.8° | 120.0° |
| C17 | C16 | H16 | 119.7° | 120.9° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C18 | C17 | C20 | 120.1° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.9° |
| C14 | C19 | C18 | 120.7° | 119.9° |
| C19 | C14 | C8 | 119.3° | 119.9° |
| C19 | C14 | C15 | 118.7° | 120.2° |
| C14 | C19 | H19 | 119.6° | 120.6° |
| C18 | C19 | H19 | 119.7° | 119.5° |
| C19 | C18 | H18 | 119.7° | 119.1° |
| C17 | C20 | C21 | 127.3° | 124.0° |
| C17 | C20 | C24 | 127.7° | 131.1° |
| C20 | C21 | N22 | 111.2° | 105.7° |
| C21 | C20 | C24 | 104.6° | 104.9° |
| C20 | C21 | H21 | 124.4° | 133.0° |
| C21 | N22 | N23 | 105.1° | 113.8° |
| N22 | C21 | H21 | 124.4° | 121.3° |
| C21 | N22 | H22 | 127.5° | 127.9° |
| N22 | N23 | C24 | 111.4° | 103.1° |
| N23 | N22 | H22 | 127.5° | 118.3° |
| C20 | C24 | N23 | 107.6° | 112.5° |
| C20 | C24 | H24 | 126.2° | 128.9° |
| N23 | C24 | H24 | 126.2° | 118.6° |
| H3 | C3 | C2 | 119.9° | 120.8° |
| H3 | C3 | C4 | 119.9° | 119.2° |
| H7 | C7 | C2 | 119.9° | 120.8° |
| H7 | C7 | C6 | 119.9° | 119.2° |
| H4 | C4 | C3 | 119.7° | 119.5° |
| H4 | C4 | C5 | 119.7° | 120.6° |
| H6 | C6 | C5 | 119.8° | 120.6° |
| H6 | C6 | C7 | 119.8° | 119.5° |
| H9C1 | C9 | H9C2 | 112.7° | 106.2° |
| H9C1 | C9 | C8 | 108.1° | 109.2° |
| H9C1 | C9 | C10 | 108.1° | 108.5° |
| H9C2 | C9 | C8 | 107.2° | 109.4° |
| H9C2 | C9 | C10 | 107.2° | 108.7° |
| H131 | C13 | H132 | 112.4° | 105.9° |
| H131 | C13 | C8 | 108.3° | 109.4° |
| H131 | C13 | C12 | 108.3° | 109.0° |
| H132 | C13 | C8 | 107.4° | 109.4° |
| H132 | C13 | C12 | 107.4° | 109.3° |
| H101 | C10 | H102 | 109.3° | 106.7° |
| H101 | C10 | C9 | 109.6° | 110.1° |
| H101 | C10 | N11 | 109.5° | 110.1° |
| H102 | C10 | C9 | 109.6° | 108.9° |
| H102 | C10 | N11 | 109.6° | 108.8° |
| H11 | N11 | C10 | 108.8° | 109.4° |
| H11 | N11 | C12 | 108.8° | 109.5° |
| H121 | C12 | H122 | 109.3° | 106.8° |
| H121 | C12 | N11 | 109.6° | 108.6° |
| H121 | C12 | C13 | 109.6° | 108.9° |
| H122 | C12 | N11 | 109.7° | 110.6° |
| H122 | C12 | C13 | 109.6° | 111.1° |
| H15 | C15 | C14 | 119.7° | 120.7° |
| CL1 | C2 | C3 | 119.9° | 120.0° |
| CL1 | C2 | C7 | 120.4° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | C7 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C4 | C5 | C6 | 118.8° | 120.2° |
| C4 | C5 | C8 | 120.7° | 119.9° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| C6 | C5 | C8 | 120.5° | 119.9° |
| C2 | C7 | C6 | 120.2° | 120.0° |
| C5 | C8 | C9 | 112.5° | 108.5° |
| C5 | C8 | C13 | 113.0° | 112.5° |
| C5 | C8 | C14 | 109.2° | 107.4° |
| C8 | C9 | C10 | 113.5° | 114.5° |
| C9 | C8 | C13 | 106.9° | 103.9° |
| C9 | C8 | C14 | 105.0° | 114.4° |
| C9 | C10 | N11 | 109.2° | 112.0° |
| C10 | N11 | C12 | 111.4° | 111.1° |
| N11 | C12 | C13 | 109.2° | 110.7° |
| C8 | C13 | C12 | 113.2° | 113.5° |
| C13 | C8 | C14 | 109.9° | 110.3° |
| C8 | C14 | C15 | 121.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.9° | 0.0° |
| C16 | C15 | C14 | C19 | 0.7° | 0.0° |
| C15 | C16 | C17 | C20 | 176.5° | 180.0° |
| C16 | C15 | H15 | C14 | 180.0° | 180.0° |
| C16 | C15 | C14 | C8 | 177.8° | 180.0° |
| C16 | C17 | C18 | C20 | 174.6° | 179.9° |
| C16 | C17 | C18 | C19 | 1.6° | 0.0° |
| C16 | C17 | C20 | C21 | 13.2° | 150.0° |
| C16 | C17 | C20 | C24 | 174.8° | 30.1° |
| C17 | C16 | C15 | H15 | 179.2° | 180.0° |
| C17 | C16 | C15 | C14 | 0.8° | 0.0° |
| C16 | C17 | C18 | H18 | 178.4° | 180.0° |
| C17 | C18 | C19 | C14 | 0.1° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C20 | C21 | 161.3° | 30.0° |
| C18 | C17 | C20 | C24 | 10.7° | 150.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| C18 | C17 | C16 | H16 | 178.1° | 180.0° |
| C14 | C19 | C18 | H19 | 180.0° | 179.9° |
| C19 | C14 | C15 | H15 | 179.3° | 180.0° |
| C19 | C14 | C8 | C5 | 62.0° | 90.0° |
| C19 | C14 | C8 | C9 | 58.9° | 30.5° |
| C19 | C14 | C8 | C13 | 173.6° | 147.1° |
| C19 | C14 | C8 | C15 | 177.1° | 180.0° |
| C14 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C18 | C17 | C20 | 176.2° | 180.0° |
| C18 | C19 | C14 | C8 | 178.3° | 180.0° |
| C18 | C19 | C14 | C15 | 1.0° | 0.0° |
| C17 | C20 | C21 | C24 | 173.5° | 180.0° |
| C17 | C20 | C21 | N22 | 176.4° | 180.0° |
| C17 | C20 | C24 | N23 | 175.9° | 180.0° |
| C20 | C17 | C16 | H16 | 3.5° | 0.0° |
| C20 | C17 | C18 | H18 | 3.8° | 0.0° |
| C17 | C20 | C21 | H21 | 3.6° | 0.1° |
| C17 | C20 | C24 | H24 | 4.1° | 0.0° |
| C20 | C21 | N22 | H21 | 180.0° | 179.9° |
| C20 | C21 | N22 | N23 | 2.2° | 0.0° |
| C21 | C20 | C24 | N23 | 2.4° | 0.0° |
| C21 | C20 | C24 | H24 | 177.6° | 180.0° |
| C20 | C21 | N22 | H22 | 177.8° | 179.7° |
| C21 | N22 | N23 | H22 | 180.0° | 179.8° |
| N22 | C21 | C20 | C24 | 2.9° | 0.0° |
| C21 | N22 | N23 | C24 | 0.6° | 0.0° |
| N22 | N23 | C24 | C20 | 1.2° | 0.0° |
| N23 | N22 | C21 | H21 | 177.8° | 179.9° |
| N22 | N23 | C24 | H24 | 178.8° | 180.0° |
| C20 | C24 | N23 | H24 | 180.0° | 180.0° |
| C24 | C20 | C21 | H21 | 177.1° | 179.9° |
| C24 | N23 | N22 | H22 | 179.4° | 179.7° |
| H3 | C3 | C4 | H4 | 1.1° | 0.0° |
| H3 | C3 | C2 | CL1 | 0.0° | 0.0° |
| H3 | C3 | C2 | C4 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 178.9° | 180.0° |
| H3 | C3 | C2 | C7 | 179.1° | 180.0° |
| H7 | C7 | C6 | H6 | 0.8° | 0.0° |
| H7 | C7 | C2 | CL1 | 0.1° | 0.1° |
| H7 | C7 | C2 | C3 | 179.2° | 180.0° |
| H7 | C7 | C6 | C5 | 179.2° | 180.0° |
| H7 | C7 | C2 | C6 | 180.0° | 180.0° |
| H4 | C4 | C3 | C2 | 178.9° | 180.0° |
| H4 | C4 | C3 | C5 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 178.9° | 180.0° |
| H4 | C4 | C5 | C8 | 1.0° | 0.1° |
| H6 | C6 | C5 | C4 | 179.0° | 180.0° |
| H6 | C6 | C5 | C7 | 180.0° | 180.0° |
| H6 | C6 | C7 | C2 | 179.2° | 180.0° |
| H6 | C6 | C5 | C8 | 1.2° | 0.1° |
| H9C1 | C9 | H9C2 | C8 | 118.9° | 117.8° |
| H9C1 | C9 | H9C2 | C10 | 118.9° | 116.5° |
| H9C1 | C9 | C10 | H101 | 57.2° | 170.2° |
| H9C1 | C9 | C10 | H102 | 177.1° | 53.5° |
| H9C1 | C9 | C8 | C5 | 169.0° | 49.1° |
| H9C1 | C9 | C8 | C10 | 120.0° | 121.9° |
| H9C1 | C9 | C10 | N11 | 62.8° | 66.9° |
| H9C1 | C9 | C8 | C13 | 66.4° | 70.7° |
| H9C1 | C9 | C8 | C14 | 50.3° | 169.0° |
| H9C2 | C9 | C10 | H101 | 64.6° | 55.2° |
| H9C2 | C9 | C10 | H102 | 55.4° | 61.5° |
| H9C2 | C9 | C8 | C5 | 47.2° | 66.7° |
| H9C2 | C9 | C8 | C10 | 118.2° | 122.3° |
| H9C2 | C9 | C10 | N11 | 175.4° | 178.1° |
| H9C2 | C9 | C8 | C13 | 171.8° | 173.4° |
| H9C2 | C9 | C8 | C14 | 71.5° | 53.2° |
| H131 | C13 | H132 | C8 | 119.0° | 117.9° |
| H131 | C13 | H132 | C12 | 119.0° | 117.3° |
| H131 | C13 | C12 | H121 | 61.5° | 58.0° |
| H131 | C13 | C12 | H122 | 58.3° | 59.3° |
| H131 | C13 | C8 | C5 | 49.8° | 67.2° |
| H131 | C13 | C8 | C9 | 174.1° | 175.7° |
| H131 | C13 | C12 | N11 | 178.5° | 177.3° |
| H131 | C13 | C8 | C12 | 120.0° | 122.0° |
| H131 | C13 | C8 | C14 | 72.4° | 52.7° |
| H132 | C13 | C12 | H121 | 60.1° | 57.3° |
| H132 | C13 | C12 | H122 | 179.9° | 174.7° |
| H132 | C13 | C8 | C5 | 171.4° | 48.4° |
| H132 | C13 | C8 | C9 | 64.3° | 68.7° |
| H132 | C13 | C12 | N11 | 59.9° | 61.9° |
| H132 | C13 | C8 | C12 | 118.4° | 122.4° |
| H132 | C13 | C8 | C14 | 49.2° | 168.3° |
| H101 | C10 | H102 | C9 | 120.1° | 118.8° |
| H101 | C10 | H102 | N11 | 120.0° | 118.8° |
| H101 | C10 | N11 | H11 | 59.4° | 55.0° |
| H101 | C10 | C9 | C8 | 177.2° | 67.5° |
| H101 | C10 | C9 | N11 | 120.0° | 122.9° |
| H101 | C10 | N11 | C12 | 179.4° | 66.0° |
| H102 | C10 | N11 | H11 | 179.3° | 61.7° |
| H102 | C10 | C9 | C8 | 62.9° | 175.8° |
| H102 | C10 | C9 | N11 | 120.1° | 120.4° |
| H102 | C10 | N11 | C12 | 60.7° | 177.4° |
| H11 | N11 | C12 | H121 | 60.1° | 60.3° |
| H11 | N11 | C12 | H122 | 180.0° | 56.6° |
| H11 | N11 | C10 | C9 | 60.6° | 177.9° |
| H11 | N11 | C10 | C12 | 120.0° | 121.0° |
| H11 | N11 | C12 | C13 | 59.9° | 179.7° |
| H121 | C12 | H122 | N11 | 120.1° | 118.0° |
| H121 | C12 | H122 | C13 | 120.1° | 118.6° |
| H121 | C12 | N11 | C10 | 179.9° | 178.7° |
| H121 | C12 | N11 | C13 | 120.0° | 119.5° |
| H121 | C12 | C13 | C8 | 178.5° | 179.8° |
| H122 | C12 | N11 | C10 | 60.0° | 64.4° |
| H122 | C12 | N11 | C13 | 120.1° | 123.7° |
| H122 | C12 | C13 | C8 | 61.7° | 62.9° |
| H15 | C15 | C14 | C8 | 2.2° | 0.0° |
| H15 | C15 | C16 | H16 | 0.8° | 0.0° |
| CL1 | C2 | C3 | C7 | 179.2° | 180.0° |
| CL1 | C2 | C3 | C4 | 179.9° | 179.9° |
| CL1 | C2 | C7 | C6 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C4 | C3 | C2 | C7 | 0.9° | 0.0° |
| C3 | C4 | C5 | C8 | 179.0° | 179.9° |
| C4 | C5 | C6 | C8 | 177.8° | 179.9° |
| C4 | C5 | C6 | C7 | 1.0° | 0.0° |
| C4 | C5 | C8 | C9 | 20.6° | 145.9° |
| C4 | C5 | C8 | C13 | 141.8° | 31.6° |
| C4 | C5 | C8 | C14 | 95.6° | 90.0° |
| C5 | C6 | C7 | C2 | 0.8° | 0.0° |
| C6 | C5 | C8 | C9 | 161.6° | 34.1° |
| C6 | C5 | C8 | C13 | 40.4° | 148.4° |
| C6 | C5 | C8 | C14 | 82.2° | 90.1° |
| C7 | C6 | C5 | C8 | 178.8° | 179.9° |
| C5 | C8 | C9 | C13 | 124.6° | 119.8° |
| C5 | C8 | C9 | C14 | 118.6° | 119.9° |
| C5 | C8 | C9 | C10 | 71.0° | 171.0° |
| C5 | C8 | C13 | C14 | 122.2° | 119.9° |
| C5 | C8 | C13 | C12 | 70.2° | 170.8° |
| C5 | C8 | C14 | C15 | 120.9° | 90.0° |
| C8 | C9 | C10 | N11 | 57.2° | 55.4° |
| C9 | C8 | C13 | C14 | 113.5° | 123.0° |
| C9 | C8 | C13 | C12 | 54.1° | 53.7° |
| C9 | C8 | C14 | C15 | 118.2° | 149.5° |
| C9 | C10 | N11 | C12 | 59.4° | 56.9° |
| C10 | C9 | C8 | C13 | 53.6° | 51.2° |
| C10 | C9 | C8 | C14 | 170.3° | 69.1° |
| C10 | N11 | C12 | C13 | 60.1° | 59.3° |
| N11 | C12 | C13 | C8 | 58.5° | 60.5° |
| C13 | C8 | C14 | C15 | 3.5° | 32.9° |
| C12 | C13 | C8 | C14 | 167.6° | 69.3° |
| C8 | C14 | C19 | H19 | 1.7° | 0.1° |
| C15 | C14 | C19 | H19 | 178.9° | 179.9° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| H19 | C19 | C18 | H18 | 0.1° | 0.1° |
| H21 | C21 | N22 | H22 | 2.2° | 0.2° |
