EVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C1 | sing | 1.40Å | 1.46Å | Aromatic |
| C12 | C7 | sing | 1.48Å | 1.49Å | |
| C1 | N1 | sing | 1.40Å | 1.39Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C17 | sing | 1.51Å | 1.51Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.50Å | 1.50Å | |
| N2 | C3 | sing | 1.34Å | 1.33Å | |
| C3 | O1 | doub | 1.21Å | 1.25Å | |
| N3 | H1 | sing | 1.01Å | 1.00Å | |
| N3 | H2 | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.6° | 120.3° |
| C14 | C15 | C16 | 120.7° | 120.3° |
| C14 | C15 | H11 | 119.6° | 119.8° |
| C15 | C14 | H19 | 119.7° | 119.9° |
| C14 | C13 | C12 | 121.0° | 119.9° |
| C14 | C13 | H10 | 119.5° | 120.1° |
| C13 | C14 | H19 | 119.7° | 119.8° |
| C15 | C16 | C1 | 120.6° | 120.0° |
| C16 | C15 | H11 | 119.7° | 119.9° |
| C15 | C16 | H20 | 119.7° | 120.0° |
| C13 | C12 | C1 | 118.0° | 119.7° |
| C13 | C12 | C7 | 119.1° | 120.1° |
| C12 | C13 | H10 | 119.5° | 120.0° |
| C16 | C1 | C12 | 119.1° | 119.7° |
| C16 | C1 | N1 | 120.6° | 120.1° |
| C1 | C16 | H20 | 119.7° | 120.0° |
| C1 | C12 | C7 | 122.8° | 120.2° |
| C12 | C1 | N1 | 120.3° | 120.1° |
| C12 | C7 | C6 | 123.0° | 120.1° |
| C12 | C7 | C8 | 119.4° | 120.1° |
| C1 | N1 | C5 | 122.6° | 111.0° |
| C1 | N1 | C2 | 111.2° | 111.0° |
| C7 | C6 | C11 | 121.1° | 119.9° |
| C6 | C7 | C8 | 117.6° | 119.7° |
| C7 | C6 | H8 | 119.5° | 120.1° |
| C6 | C11 | C10 | 120.7° | 120.1° |
| C11 | C6 | H8 | 119.5° | 120.0° |
| C6 | C11 | H18 | 119.7° | 120.0° |
| N1 | C5 | C4 | 111.7° | 108.7° |
| C5 | N1 | C2 | 112.5° | 110.2° |
| N1 | C5 | H6 | 108.9° | 109.6° |
| N1 | C5 | H7 | 108.9° | 109.6° |
| C5 | C4 | N2 | 110.5° | 110.1° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C5 | C4 | H5 | 109.2° | 109.2° |
| C4 | C5 | H6 | 108.9° | 109.5° |
| C4 | C5 | H7 | 108.9° | 109.6° |
| C7 | C8 | C9 | 121.2° | 119.9° |
| C7 | C8 | H9 | 119.4° | 120.1° |
| N1 | C2 | C3 | 114.3° | 110.0° |
| N1 | C2 | H14 | 108.2° | 109.4° |
| N1 | C2 | H15 | 108.2° | 109.4° |
| C11 | C10 | C9 | 118.3° | 120.3° |
| C11 | C10 | C17 | 124.8° | 119.9° |
| C10 | C11 | H18 | 119.6° | 120.0° |
| C4 | N2 | C3 | 126.9° | 123.0° |
| N2 | C4 | H4 | 109.2° | 109.4° |
| N2 | C4 | H5 | 109.2° | 109.4° |
| C4 | N2 | H16 | 116.6° | 118.6° |
| C8 | C9 | C10 | 121.2° | 120.1° |
| C9 | C8 | H9 | 119.4° | 120.0° |
| C8 | C9 | H17 | 119.4° | 120.0° |
| C9 | C10 | C17 | 116.9° | 119.9° |
| C10 | C9 | H17 | 119.4° | 119.9° |
| C10 | C17 | N3 | 115.1° | 109.5° |
| C10 | C17 | H12 | 108.0° | 109.5° |
| C10 | C17 | H13 | 108.1° | 109.5° |
| C17 | N3 | H1 | 109.5° | 111.0° |
| C17 | N3 | H2 | 109.4° | 111.0° |
| N3 | C17 | H12 | 108.1° | 109.5° |
| N3 | C17 | H13 | 108.0° | 109.5° |
| C2 | C3 | N2 | 118.4° | 122.7° |
| C2 | C3 | O1 | 119.4° | 118.7° |
| C3 | C2 | H14 | 108.2° | 109.4° |
| C3 | C2 | H15 | 108.2° | 109.4° |
| N2 | C3 | O1 | 122.2° | 118.6° |
| C3 | N2 | H16 | 116.6° | 118.5° |
| H1 | N3 | H2 | 109.5° | 111.0° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.7° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H19 | 180.0° | 179.9° |
| C14 | C15 | C16 | H11 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.6° | 0.1° |
| C14 | C15 | C16 | C1 | 1.7° | 0.2° |
| C15 | C14 | C13 | H10 | 179.4° | 179.7° |
| C14 | C15 | C16 | H20 | 178.3° | 179.8° |
| C13 | C14 | C15 | C16 | 1.7° | 0.1° |
| C14 | C13 | C12 | H10 | 180.0° | 179.8° |
| C14 | C13 | C12 | C1 | 0.5° | 0.2° |
| C14 | C13 | C12 | C7 | 177.4° | 179.8° |
| C13 | C14 | C15 | H11 | 178.3° | 179.7° |
| C15 | C16 | C1 | H20 | 180.0° | 179.9° |
| C15 | C16 | C1 | C12 | 0.6° | 0.5° |
| C15 | C16 | C1 | N1 | 179.9° | 179.9° |
| C16 | C15 | C14 | H19 | 178.3° | 180.0° |
| C13 | C12 | C1 | C16 | 0.5° | 0.5° |
| C13 | C12 | C1 | C7 | 176.8° | 180.0° |
| C13 | C12 | C1 | N1 | 179.0° | 180.0° |
| C13 | C12 | C7 | C6 | 128.7° | 50.0° |
| C13 | C12 | C7 | C8 | 53.0° | 130.0° |
| C12 | C13 | C14 | H19 | 179.4° | 180.0° |
| C16 | C1 | C12 | N1 | 179.5° | 179.4° |
| C16 | C1 | C12 | C7 | 177.3° | 179.5° |
| C16 | C1 | N1 | C5 | 21.9° | 59.5° |
| C16 | C1 | N1 | C2 | 115.4° | 63.4° |
| C1 | C16 | C15 | H11 | 178.3° | 180.0° |
| C1 | C12 | C7 | C6 | 54.6° | 130.0° |
| C12 | C1 | N1 | C5 | 158.6° | 121.1° |
| C1 | C12 | C7 | C8 | 123.8° | 50.0° |
| C12 | C1 | N1 | C2 | 64.0° | 116.0° |
| C1 | C12 | C13 | H10 | 179.5° | 180.0° |
| C12 | C1 | C16 | H20 | 179.4° | 179.4° |
| C7 | C12 | C1 | N1 | 2.2° | 0.0° |
| C12 | C7 | C6 | C8 | 178.4° | 180.0° |
| C12 | C7 | C6 | C11 | 179.5° | 180.0° |
| C12 | C7 | C8 | C9 | 179.3° | 180.0° |
| C12 | C7 | C6 | H8 | 0.6° | 0.3° |
| C12 | C7 | C8 | H9 | 0.7° | 0.0° |
| C7 | C12 | C13 | H10 | 2.6° | 0.0° |
| C1 | N1 | C5 | C2 | 136.9° | 123.3° |
| C1 | N1 | C5 | C4 | 163.7° | 167.7° |
| C1 | N1 | C2 | C3 | 173.2° | 173.7° |
| C1 | N1 | C5 | H6 | 76.0° | 72.6° |
| C1 | N1 | C5 | H7 | 43.4° | 47.8° |
| C1 | N1 | C2 | H14 | 52.4° | 66.2° |
| C1 | N1 | C2 | H15 | 66.1° | 53.5° |
| N1 | C1 | C16 | H20 | 0.1° | 0.0° |
| C7 | C6 | C11 | H8 | 180.0° | 179.7° |
| C7 | C6 | C11 | C10 | 0.6° | 0.1° |
| C6 | C7 | C8 | C9 | 0.9° | 0.0° |
| C6 | C7 | C8 | H9 | 179.1° | 179.9° |
| C7 | C6 | C11 | H18 | 179.4° | 180.0° |
| C11 | C6 | C7 | C8 | 1.1° | 0.0° |
| C6 | C11 | C10 | H18 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.2° | 0.1° |
| C6 | C11 | C10 | C17 | 178.3° | 180.0° |
| N1 | C5 | C4 | H6 | 120.3° | 119.8° |
| N1 | C5 | C4 | H7 | 120.3° | 119.8° |
| N1 | C5 | C4 | N2 | 42.8° | 50.2° |
| C5 | N1 | C2 | C3 | 45.0° | 50.3° |
| N1 | C5 | C4 | H4 | 162.9° | 170.5° |
| N1 | C5 | C4 | H5 | 77.4° | 69.8° |
| N1 | C5 | H6 | H7 | 119.0° | 120.4° |
| C5 | N1 | C2 | H14 | 165.7° | 170.5° |
| C5 | N1 | C2 | H15 | 75.7° | 69.8° |
| C4 | C5 | N1 | C2 | 59.4° | 69.0° |
| C5 | C4 | N2 | H4 | 120.2° | 120.3° |
| C5 | C4 | N2 | H5 | 120.1° | 120.0° |
| C5 | C4 | N2 | C3 | 15.5° | 18.0° |
| C5 | C4 | H4 | H5 | 119.5° | 119.6° |
| C4 | C5 | H6 | H7 | 119.0° | 120.3° |
| C5 | C4 | N2 | H16 | 164.5° | 161.8° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | H8 | 178.9° | 179.7° |
| C7 | C8 | C9 | H17 | 179.9° | 180.0° |
| N1 | C2 | C3 | H14 | 120.7° | 120.2° |
| N1 | C2 | C3 | H15 | 120.7° | 120.2° |
| N1 | C2 | C3 | N2 | 16.4° | 17.2° |
| N1 | C2 | C3 | O1 | 165.6° | 162.8° |
| C2 | N1 | C5 | H6 | 60.9° | 50.7° |
| C2 | N1 | C5 | H7 | 179.7° | 171.2° |
| N1 | C2 | H14 | H15 | 117.8° | 119.8° |
| C11 | C10 | C9 | C8 | 0.5° | 0.0° |
| C11 | C10 | C9 | C17 | 178.2° | 179.9° |
| C11 | C10 | C17 | N3 | 8.9° | 90.0° |
| C10 | C11 | C6 | H8 | 179.4° | 179.7° |
| C11 | C10 | C17 | H12 | 129.8° | 150.0° |
| C11 | C10 | C17 | H13 | 111.9° | 30.0° |
| C11 | C10 | C9 | H17 | 179.5° | 180.0° |
| C4 | N2 | C3 | C2 | 2.1° | 1.6° |
| C4 | N2 | C3 | H16 | 180.0° | 179.9° |
| C4 | N2 | C3 | O1 | 180.0° | 178.4° |
| N2 | C4 | H4 | H5 | 119.5° | 119.8° |
| N2 | C4 | C5 | H6 | 77.6° | 69.5° |
| N2 | C4 | C5 | H7 | 163.1° | 170.1° |
| C8 | C9 | C10 | H17 | 180.0° | 180.0° |
| C8 | C9 | C10 | C17 | 178.7° | 180.0° |
| C9 | C10 | C17 | N3 | 173.0° | 90.0° |
| C10 | C9 | C8 | H9 | 179.9° | 179.9° |
| C9 | C10 | C17 | H12 | 52.1° | 30.0° |
| C9 | C10 | C17 | H13 | 66.2° | 150.0° |
| C9 | C10 | C11 | H18 | 179.8° | 179.9° |
| C10 | C17 | N3 | H12 | 120.8° | 120.0° |
| C10 | C17 | N3 | H13 | 120.8° | 120.0° |
| C10 | C17 | N3 | H1 | 180.0° | 56.0° |
| C10 | C17 | N3 | H2 | 60.0° | 180.0° |
| C10 | C17 | H12 | H13 | 117.4° | 120.0° |
| C17 | C10 | C9 | H17 | 1.3° | 0.0° |
| C17 | C10 | C11 | H18 | 1.7° | 0.0° |
| C17 | N3 | H1 | H2 | 120.0° | 124.0° |
| N3 | C17 | H12 | H13 | 117.4° | 120.0° |
| C2 | C3 | N2 | O1 | 177.9° | 180.0° |
| C3 | C2 | H14 | H15 | 117.8° | 119.7° |
| C2 | C3 | N2 | H16 | 177.9° | 178.3° |
| C3 | N2 | C4 | H4 | 135.6° | 138.3° |
| C3 | N2 | C4 | H5 | 104.6° | 101.9° |
| N2 | C3 | C2 | H14 | 137.1° | 137.3° |
| N2 | C3 | C2 | H15 | 104.3° | 103.0° |
| O1 | C3 | C2 | H14 | 44.9° | 42.6° |
| O1 | C3 | C2 | H15 | 73.7° | 77.1° |
| O1 | C3 | N2 | H16 | 0.0° | 1.8° |
| H1 | N3 | C17 | H12 | 59.2° | 176.0° |
| H1 | N3 | C17 | H13 | 59.2° | 64.0° |
| H2 | N3 | C17 | H12 | 179.2° | 60.0° |
| H2 | N3 | C17 | H13 | 60.8° | 60.0° |
| H4 | C4 | C5 | H6 | 42.5° | 50.7° |
| H4 | C4 | C5 | H7 | 76.8° | 69.7° |
| H4 | C4 | N2 | H16 | 44.4° | 41.6° |
| H5 | C4 | C5 | H6 | 162.3° | 170.4° |
| H5 | C4 | C5 | H7 | 43.0° | 50.0° |
| H5 | C4 | N2 | H16 | 75.4° | 78.2° |
| H8 | C6 | C11 | H18 | 0.6° | 0.3° |
| H9 | C8 | C9 | H17 | 0.1° | 0.0° |
| H10 | C13 | C14 | H19 | 0.6° | 0.2° |
| H11 | C15 | C14 | H19 | 1.7° | 0.2° |
| H11 | C15 | C16 | H20 | 1.7° | 0.0° |
