0VH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C24 | C19 | sing | 1.53Å | 1.55Å | |
| C26 | C8 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C19 | N18 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| N18 | C11 | sing | 1.39Å | 1.36Å | |
| C8 | C4 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | N25 | sing | 1.47Å | 1.49Å | |
| C11 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| N12 | N13 | doub | 1.28Å | 1.32Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | N7 | sing | 1.39Å | 1.38Å | |
| C9 | C14 | doub | 1.41Å | 1.44Å | Aromatic |
| C6 | N7 | sing | 1.39Å | 1.41Å | |
| C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | N17 | sing | 1.35Å | 1.33Å | |
| C15 | O16 | doub | 1.22Å | 1.26Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N7 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N17 | H8 | sing | 0.97Å | 1.00Å | |
| N17 | H9 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| N25 | H21 | sing | 1.01Å | 1.00Å | |
| N25 | H22 | sing | 1.01Å | 1.00Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 109.9° | 109.5° |
| C23 | C24 | C19 | 113.4° | 109.5° |
| C24 | C23 | H17 | 109.4° | 109.5° |
| C24 | C23 | H18 | 109.4° | 109.4° |
| C23 | C24 | H19 | 108.5° | 109.5° |
| C23 | C24 | H20 | 108.5° | 109.5° |
| C23 | C22 | C21 | 116.6° | 109.5° |
| C23 | C22 | H15 | 107.7° | 109.4° |
| C23 | C22 | H16 | 107.7° | 109.5° |
| C22 | C23 | H17 | 109.4° | 109.5° |
| C22 | C23 | H18 | 109.3° | 109.5° |
| C24 | C19 | N18 | 107.8° | 109.5° |
| C24 | C19 | C20 | 114.8° | 109.4° |
| C24 | C19 | H11 | 108.1° | 109.5° |
| C19 | C24 | H19 | 108.5° | 109.4° |
| C19 | C24 | H20 | 108.5° | 109.5° |
| C26 | C8 | C4 | 115.3° | 109.5° |
| C26 | C8 | H5 | 108.0° | 109.4° |
| C26 | C8 | H6 | 108.0° | 109.4° |
| C8 | C26 | H24 | 109.5° | 109.4° |
| C8 | C26 | H25 | 109.4° | 109.5° |
| C8 | C26 | H26 | 109.5° | 109.5° |
| C22 | C21 | C20 | 113.6° | 109.5° |
| C22 | C21 | H13 | 108.4° | 109.5° |
| C22 | C21 | H14 | 108.4° | 109.4° |
| C21 | C22 | H15 | 107.7° | 109.4° |
| C21 | C22 | H16 | 107.7° | 109.5° |
| N18 | C19 | C20 | 109.1° | 109.5° |
| C19 | N18 | C11 | 120.5° | 120.0° |
| C19 | N18 | H10 | 106.7° | 120.0° |
| N18 | C19 | H11 | 109.2° | 109.5° |
| C19 | C20 | C21 | 107.2° | 109.5° |
| C19 | C20 | N25 | 112.8° | 109.5° |
| C20 | C19 | H11 | 107.9° | 109.5° |
| C19 | C20 | H12 | 109.1° | 109.5° |
| N18 | C11 | C10 | 119.2° | 120.0° |
| N18 | C11 | N12 | 118.3° | 120.0° |
| C11 | N18 | H10 | 106.6° | 120.0° |
| C8 | C4 | N5 | 119.0° | 119.6° |
| C8 | C4 | C3 | 120.1° | 119.5° |
| C4 | C8 | H5 | 108.0° | 109.5° |
| C4 | C8 | H6 | 108.0° | 109.5° |
| C21 | C20 | N25 | 108.1° | 109.4° |
| C21 | C20 | H12 | 109.4° | 109.5° |
| C20 | C21 | H13 | 108.4° | 109.5° |
| C20 | C21 | H14 | 108.4° | 109.5° |
| N25 | C20 | H12 | 110.1° | 109.5° |
| C20 | N25 | H21 | 109.5° | 111.0° |
| C20 | N25 | H22 | 109.5° | 111.0° |
| C10 | C11 | N12 | 122.0° | 120.0° |
| C11 | C10 | C9 | 115.8° | 118.0° |
| C11 | C10 | H7 | 122.1° | 121.0° |
| C11 | N12 | N13 | 122.6° | 122.4° |
| N5 | C4 | C3 | 120.8° | 120.9° |
| C4 | N5 | C6 | 120.9° | 121.6° |
| C4 | C3 | C2 | 119.6° | 119.3° |
| C4 | C3 | H3 | 120.2° | 120.4° |
| C10 | C9 | N7 | 127.1° | 121.1° |
| C10 | C9 | C14 | 117.6° | 117.8° |
| C9 | C10 | H7 | 122.1° | 121.0° |
| N5 | C6 | N7 | 117.8° | 119.7° |
| N5 | C6 | C1 | 121.5° | 120.6° |
| N12 | N13 | C14 | 120.0° | 122.1° |
| C3 | C2 | C1 | 117.2° | 118.5° |
| C3 | C2 | H2 | 121.4° | 120.7° |
| C2 | C3 | H3 | 120.2° | 120.4° |
| N7 | C9 | C14 | 115.2° | 121.1° |
| C9 | N7 | C6 | 126.2° | 120.0° |
| C9 | N7 | H4 | 116.9° | 120.0° |
| C9 | C14 | N13 | 121.7° | 119.6° |
| C9 | C14 | C15 | 120.8° | 120.2° |
| N7 | C6 | C1 | 120.4° | 119.7° |
| C6 | N7 | H4 | 116.9° | 120.0° |
| C6 | C1 | C2 | 119.8° | 119.1° |
| C6 | C1 | H1 | 120.1° | 120.4° |
| N13 | C14 | C15 | 117.5° | 120.2° |
| C14 | C15 | N17 | 114.6° | 120.0° |
| C14 | C15 | O16 | 126.3° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.5° |
| C1 | C2 | H2 | 121.4° | 120.7° |
| N17 | C15 | O16 | 119.1° | 120.0° |
| C15 | N17 | H8 | 120.0° | 120.0° |
| C15 | N17 | H9 | 120.0° | 120.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | N17 | H9 | 120.0° | 120.0° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H21 | N25 | H22 | 109.5° | 111.0° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H26 | 109.4° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H17 | 120.1° | 120.0° |
| C24 | C23 | C22 | H18 | 120.1° | 120.0° |
| C23 | C24 | C19 | H19 | 120.6° | 120.0° |
| C23 | C24 | C19 | H20 | 120.6° | 120.0° |
| C24 | C23 | C22 | C21 | 45.7° | 60.0° |
| C23 | C24 | C19 | N18 | 177.6° | 60.0° |
| C23 | C24 | C19 | C20 | 55.9° | 60.0° |
| C23 | C24 | C19 | H11 | 64.5° | 180.0° |
| C24 | C23 | C22 | H15 | 75.3° | 60.0° |
| C24 | C23 | C22 | H16 | 166.7° | 180.0° |
| C24 | C23 | H17 | H18 | 119.8° | 119.9° |
| C23 | C24 | H19 | H20 | 118.2° | 120.0° |
| C22 | C23 | C24 | C19 | 47.3° | 60.0° |
| C23 | C22 | C21 | H15 | 121.0° | 119.9° |
| C23 | C22 | C21 | H16 | 121.0° | 120.1° |
| C23 | C22 | C21 | C20 | 50.6° | 60.0° |
| C23 | C22 | C21 | H13 | 171.2° | 180.0° |
| C23 | C22 | C21 | H14 | 70.0° | 60.1° |
| C23 | C22 | H15 | H16 | 116.8° | 120.0° |
| C22 | C23 | H17 | H18 | 119.8° | 120.0° |
| C22 | C23 | C24 | H19 | 167.9° | 180.0° |
| C22 | C23 | C24 | H20 | 73.3° | 60.0° |
| C24 | C19 | N18 | C20 | 125.2° | 120.0° |
| C24 | C19 | N18 | H11 | 117.2° | 120.0° |
| C24 | C19 | C20 | H11 | 120.5° | 120.0° |
| C24 | C19 | N18 | C11 | 146.2° | 85.0° |
| C24 | C19 | C20 | C21 | 55.9° | 60.0° |
| C24 | C19 | C20 | N25 | 63.0° | 180.0° |
| C24 | C19 | N18 | H10 | 24.6° | 95.0° |
| C24 | C19 | C20 | H12 | 174.3° | 60.0° |
| C19 | C24 | C23 | H17 | 167.4° | 179.9° |
| C19 | C24 | C23 | H18 | 72.8° | 60.0° |
| C19 | C24 | H19 | H20 | 118.2° | 120.0° |
| C26 | C8 | C4 | H5 | 120.8° | 120.0° |
| C26 | C8 | C4 | H6 | 120.8° | 120.0° |
| C26 | C8 | C4 | N5 | 58.3° | 55.0° |
| C26 | C8 | C4 | C3 | 125.3° | 125.4° |
| C26 | C8 | H5 | H6 | 117.4° | 120.0° |
| C8 | C26 | H24 | H25 | 120.0° | 120.0° |
| C8 | C26 | H24 | H26 | 120.0° | 120.0° |
| C8 | C26 | H25 | H26 | 120.0° | 120.0° |
| C22 | C21 | C20 | C19 | 51.9° | 60.0° |
| C22 | C21 | C20 | H13 | 120.6° | 120.0° |
| C22 | C21 | C20 | H14 | 120.6° | 120.0° |
| C22 | C21 | C20 | N25 | 70.0° | 180.0° |
| C22 | C21 | C20 | H12 | 170.1° | 60.0° |
| C22 | C21 | H13 | H14 | 118.1° | 119.9° |
| C21 | C22 | H15 | H16 | 116.8° | 120.0° |
| C21 | C22 | C23 | H17 | 165.8° | 180.0° |
| C21 | C22 | C23 | H18 | 74.4° | 60.0° |
| N18 | C19 | C20 | H11 | 118.5° | 120.0° |
| C19 | N18 | C11 | H10 | 121.6° | 180.0° |
| N18 | C19 | C20 | C21 | 176.9° | 60.0° |
| N18 | C19 | C20 | N25 | 57.9° | 60.0° |
| C19 | N18 | C11 | C10 | 1.6° | 0.0° |
| C19 | N18 | C11 | N12 | 170.7° | 180.0° |
| N18 | C19 | C20 | H12 | 64.8° | 180.0° |
| N18 | C19 | C24 | H19 | 61.8° | 60.0° |
| N18 | C19 | C24 | H20 | 57.0° | 180.0° |
| C20 | C19 | N18 | C11 | 88.7° | 155.0° |
| C19 | C20 | C21 | N25 | 122.0° | 120.0° |
| C19 | C20 | C21 | H12 | 118.2° | 120.0° |
| C19 | C20 | N25 | H12 | 122.1° | 120.0° |
| C20 | C19 | N18 | H10 | 149.7° | 25.0° |
| C19 | C20 | C21 | H13 | 172.6° | 180.0° |
| C19 | C20 | C21 | H14 | 68.7° | 60.0° |
| C20 | C19 | C24 | H19 | 176.5° | 180.0° |
| C20 | C19 | C24 | H20 | 64.7° | 60.0° |
| C19 | C20 | N25 | H21 | 180.0° | 180.0° |
| C19 | C20 | N25 | H22 | 60.0° | 56.1° |
| N18 | C11 | C10 | N12 | 171.9° | 180.0° |
| N18 | C11 | C10 | C9 | 177.2° | 180.0° |
| N18 | C11 | N12 | N13 | 177.6° | 179.9° |
| N18 | C11 | C10 | H7 | 2.8° | 0.0° |
| C11 | N18 | C19 | H11 | 29.0° | 35.0° |
| C8 | C4 | N5 | C3 | 176.4° | 179.6° |
| C8 | C4 | N5 | C6 | 177.9° | 180.0° |
| C8 | C4 | C3 | C2 | 179.9° | 179.7° |
| C8 | C4 | C3 | H3 | 0.1° | 0.4° |
| C4 | C8 | H5 | H6 | 117.4° | 120.1° |
| C4 | C8 | C26 | H24 | 180.0° | 60.0° |
| C4 | C8 | C26 | H25 | 60.0° | 60.0° |
| C4 | C8 | C26 | H26 | 60.0° | 180.0° |
| C21 | C20 | N25 | H12 | 119.4° | 120.0° |
| C21 | C20 | C19 | H11 | 64.6° | 180.0° |
| C20 | C21 | H13 | H14 | 118.1° | 120.0° |
| C20 | C21 | C22 | H15 | 70.4° | 60.0° |
| C20 | C21 | C22 | H16 | 171.6° | 180.0° |
| C21 | C20 | N25 | H21 | 61.5° | 60.0° |
| C21 | C20 | N25 | H22 | 178.4° | 176.1° |
| N25 | C20 | C19 | H11 | 176.4° | 60.1° |
| N25 | C20 | C21 | H13 | 50.6° | 60.0° |
| N25 | C20 | C21 | H14 | 169.4° | 60.0° |
| C20 | N25 | H21 | H22 | 120.0° | 123.9° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C10 | C11 | N12 | N13 | 5.6° | 0.0° |
| C11 | C10 | C9 | N7 | 175.8° | 180.0° |
| C11 | C10 | C9 | C14 | 2.0° | 0.2° |
| C10 | C11 | N18 | H10 | 120.0° | 179.9° |
| N12 | C11 | C10 | C9 | 5.3° | 0.1° |
| C11 | N12 | N13 | C14 | 2.1° | 0.4° |
| N12 | C11 | C10 | H7 | 174.7° | 180.0° |
| N12 | C11 | N18 | H10 | 67.7° | 0.0° |
| N5 | C4 | C3 | C2 | 3.6° | 0.0° |
| C4 | N5 | C6 | N7 | 176.9° | 180.0° |
| C4 | N5 | C6 | C1 | 2.3° | 0.6° |
| N5 | C4 | C3 | H3 | 176.4° | 180.0° |
| N5 | C4 | C8 | H5 | 62.5° | 65.0° |
| N5 | C4 | C8 | H6 | 179.1° | 175.0° |
| C3 | C4 | N5 | C6 | 1.5° | 0.4° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.8° | 0.0° |
| C4 | C3 | C2 | H2 | 178.1° | 180.0° |
| C3 | C4 | C8 | H5 | 113.9° | 114.7° |
| C3 | C4 | C8 | H6 | 4.5° | 5.4° |
| C10 | C9 | N7 | C14 | 177.8° | 179.8° |
| C10 | C9 | N7 | C6 | 16.4° | 103.1° |
| C10 | C9 | C14 | N13 | 1.2° | 0.5° |
| C10 | C9 | C14 | C15 | 179.9° | 179.8° |
| C10 | C9 | N7 | H4 | 163.6° | 76.9° |
| N5 | C6 | N7 | C9 | 20.3° | 176.0° |
| N5 | C6 | N7 | C1 | 174.6° | 179.4° |
| N5 | C6 | C1 | C2 | 4.0° | 0.6° |
| N5 | C6 | C1 | H1 | 176.0° | 179.7° |
| N5 | C6 | N7 | H4 | 159.7° | 4.0° |
| N12 | N13 | C14 | C9 | 1.3° | 0.6° |
| N12 | N13 | C14 | C15 | 179.9° | 179.7° |
| C3 | C2 | C1 | C6 | 1.8° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 178.2° | 180.0° |
| C9 | N7 | C6 | H4 | 180.0° | 180.0° |
| C9 | N7 | C6 | C1 | 165.1° | 4.7° |
| N7 | C9 | C14 | N13 | 179.2° | 179.7° |
| N7 | C9 | C14 | C15 | 2.1° | 0.0° |
| N7 | C9 | C10 | H7 | 4.2° | 0.0° |
| C14 | C9 | N7 | C6 | 165.7° | 76.7° |
| C9 | C14 | N13 | C15 | 178.8° | 179.7° |
| C9 | C14 | C15 | N17 | 168.3° | 174.0° |
| C9 | C14 | C15 | O16 | 12.4° | 6.0° |
| C14 | C9 | N7 | H4 | 14.3° | 103.4° |
| C14 | C9 | C10 | H7 | 178.0° | 179.7° |
| N7 | C6 | C1 | C2 | 178.5° | 180.0° |
| N7 | C6 | C1 | H1 | 1.5° | 0.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | H2 | 178.2° | 179.7° |
| C1 | C6 | N7 | H4 | 14.9° | 175.4° |
| N13 | C14 | C15 | N17 | 12.9° | 6.3° |
| N13 | C14 | C15 | O16 | 166.3° | 173.7° |
| C14 | C15 | N17 | O16 | 179.3° | 179.9° |
| C14 | C15 | N17 | H8 | 179.3° | 0.0° |
| C14 | C15 | N17 | H9 | 0.8° | 180.0° |
| C1 | C2 | C3 | H3 | 178.2° | 180.0° |
| C15 | N17 | H8 | H9 | 180.0° | 179.9° |
| O16 | C15 | N17 | H8 | 0.0° | 180.0° |
| O16 | C15 | N17 | H9 | 180.0° | 0.1° |
| H1 | C1 | C2 | H2 | 1.8° | 0.1° |
| H2 | C2 | C3 | H3 | 1.9° | 0.0° |
| H5 | C8 | C26 | H24 | 59.2° | 180.0° |
| H5 | C8 | C26 | H25 | 60.9° | 60.0° |
| H5 | C8 | C26 | H26 | 179.2° | 60.0° |
| H6 | C8 | C26 | H24 | 59.1° | 60.0° |
| H6 | C8 | C26 | H25 | 179.2° | 180.0° |
| H6 | C8 | C26 | H26 | 60.8° | 60.0° |
| H10 | N18 | C19 | H11 | 92.6° | 145.0° |
| H11 | C19 | C20 | H12 | 53.8° | 60.0° |
| H11 | C19 | C24 | H19 | 56.1° | 60.0° |
| H11 | C19 | C24 | H20 | 174.9° | 60.0° |
| H12 | C20 | C21 | H13 | 69.3° | 60.0° |
| H12 | C20 | C21 | H14 | 49.5° | 180.0° |
| H12 | C20 | N25 | H21 | 57.9° | 60.0° |
| H12 | C20 | N25 | H22 | 62.1° | 63.9° |
| H13 | C21 | C22 | H15 | 50.2° | 60.0° |
| H13 | C21 | C22 | H16 | 67.7° | 59.9° |
| H14 | C21 | C22 | H15 | 169.0° | 180.0° |
| H14 | C21 | C22 | H16 | 51.0° | 60.0° |
| H15 | C22 | C23 | H17 | 44.8° | 60.0° |
| H15 | C22 | C23 | H18 | 164.6° | 180.0° |
| H16 | C22 | C23 | H17 | 73.2° | 60.0° |
| H16 | C22 | C23 | H18 | 46.7° | 60.0° |
| H17 | C23 | C24 | H19 | 72.1° | 60.0° |
| H17 | C23 | C24 | H20 | 46.8° | 60.0° |
| H18 | C23 | C24 | H19 | 47.8° | 60.0° |
| H18 | C23 | C24 | H20 | 166.6° | 180.0° |
| H24 | C26 | H25 | H26 | 120.0° | 120.0° |
