RVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C11 | C16 | sing | 1.42Å | 1.43Å | Aromatic |
| N3 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | O1 | doub | 1.21Å | 1.24Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C17 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.46Å | 1.48Å | |
| C4 | C2 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| O | C1 | doub | 1.21Å | 1.22Å | |
| C | N | sing | 1.47Å | 1.45Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| N1 | C23 | sing | 1.35Å | 1.37Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.47Å | |
| C23 | O2 | doub | 1.22Å | 1.22Å | |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | CL | sing | 1.74Å | 1.74Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.5° | 119.5° |
| C12 | C13 | C14 | 120.6° | 121.1° |
| C12 | C13 | H7 | 119.7° | 119.4° |
| C13 | C12 | H20 | 119.7° | 120.2° |
| C12 | C11 | C10 | 123.1° | 122.0° |
| C12 | C11 | C16 | 119.1° | 119.3° |
| C11 | C12 | H20 | 119.7° | 120.3° |
| C13 | C14 | C15 | 120.7° | 121.0° |
| C14 | C13 | H7 | 119.7° | 119.5° |
| C13 | C14 | H19 | 119.6° | 119.5° |
| C11 | C10 | N3 | 124.0° | 120.2° |
| C10 | C11 | C16 | 117.8° | 118.7° |
| C11 | C10 | H6 | 118.0° | 119.9° |
| C10 | N3 | C9 | 117.5° | 122.9° |
| N3 | C10 | H6 | 118.0° | 119.9° |
| C11 | C16 | C15 | 118.1° | 119.6° |
| C11 | C16 | C8 | 118.2° | 118.2° |
| N3 | C9 | C8 | 125.3° | 121.6° |
| N3 | C9 | H21 | 117.4° | 119.2° |
| C14 | C15 | C16 | 120.9° | 119.5° |
| C14 | C15 | H8 | 119.5° | 120.2° |
| C15 | C14 | H19 | 119.6° | 119.5° |
| C15 | C16 | C8 | 123.7° | 122.2° |
| C16 | C15 | H8 | 119.6° | 120.3° |
| C16 | C8 | C9 | 117.2° | 118.4° |
| C16 | C8 | N2 | 118.2° | 120.8° |
| C9 | C8 | N2 | 124.3° | 120.8° |
| C8 | C9 | H21 | 117.4° | 119.3° |
| C8 | N2 | C7 | 128.0° | 120.0° |
| C8 | N2 | H18 | 116.0° | 120.0° |
| N2 | C7 | C6 | 114.6° | 120.0° |
| N2 | C7 | O1 | 123.2° | 120.0° |
| C7 | N2 | H18 | 116.0° | 120.0° |
| C6 | C7 | O1 | 122.2° | 120.0° |
| C7 | C6 | C5 | 108.6° | 109.4° |
| C7 | C6 | C17 | 109.7° | 109.3° |
| C7 | C6 | H5 | 109.5° | 109.3° |
| C5 | C6 | C17 | 109.6° | 110.1° |
| C6 | C5 | N1 | 111.3° | 111.0° |
| C6 | C5 | H3 | 109.0° | 109.2° |
| C6 | C5 | H4 | 109.0° | 109.1° |
| C5 | C6 | H5 | 109.6° | 109.4° |
| C6 | C17 | C18 | 120.3° | 120.7° |
| C6 | C17 | C22 | 120.5° | 119.4° |
| C17 | C6 | H5 | 109.8° | 109.3° |
| C5 | N1 | C2 | 116.6° | 119.5° |
| C5 | N1 | C23 | 123.9° | 121.1° |
| N1 | C5 | H3 | 109.0° | 109.2° |
| N1 | C5 | H4 | 109.0° | 109.2° |
| C2 | C4 | C3 | 60.3° | 60.0° |
| C4 | C2 | C1 | 116.0° | 117.5° |
| C4 | C2 | N1 | 116.2° | 117.5° |
| C4 | C2 | C3 | 59.4° | 60.0° |
| C2 | C4 | H1 | 119.9° | 117.5° |
| C2 | C4 | H2 | 119.9° | 117.5° |
| C4 | C3 | C2 | 60.3° | 60.0° |
| C3 | C4 | H1 | 119.9° | 117.5° |
| C3 | C4 | H2 | 119.9° | 117.5° |
| C4 | C3 | H11 | 119.9° | 117.5° |
| C4 | C3 | H12 | 120.0° | 117.5° |
| O | C1 | N | 123.3° | 120.0° |
| O | C1 | C2 | 118.5° | 120.0° |
| C | N | C1 | 121.4° | 120.0° |
| C | N | H13 | 119.3° | 120.0° |
| N | C | H14 | 109.5° | 109.5° |
| N | C | H15 | 109.5° | 109.5° |
| N | C | H16 | 109.5° | 109.4° |
| N | C1 | C2 | 118.2° | 119.9° |
| C1 | N | H13 | 119.3° | 120.1° |
| C1 | C2 | N1 | 118.7° | 115.6° |
| C1 | C2 | C3 | 116.2° | 117.5° |
| N1 | C2 | C3 | 116.6° | 117.5° |
| C2 | N1 | C23 | 119.3° | 119.5° |
| C2 | C3 | H11 | 119.9° | 117.5° |
| C2 | C3 | H12 | 120.0° | 117.5° |
| N1 | C23 | C22 | 116.7° | 119.3° |
| N1 | C23 | O2 | 121.4° | 120.3° |
| C18 | C17 | C22 | 119.0° | 119.9° |
| C17 | C18 | C19 | 119.5° | 120.0° |
| C17 | C18 | H17 | 120.3° | 120.0° |
| C17 | C22 | C23 | 120.5° | 119.1° |
| C17 | C22 | C21 | 120.0° | 120.0° |
| C18 | C19 | CL | 119.1° | 119.8° |
| C18 | C19 | C20 | 121.8° | 120.4° |
| C19 | C18 | H17 | 120.3° | 120.0° |
| C22 | C23 | O2 | 121.5° | 120.3° |
| C23 | C22 | C21 | 119.3° | 120.9° |
| C22 | C21 | C20 | 120.3° | 119.6° |
| C22 | C21 | H10 | 119.9° | 120.2° |
| CL | C19 | C20 | 119.1° | 119.8° |
| C19 | C20 | C21 | 119.1° | 120.2° |
| C19 | C20 | H9 | 120.4° | 119.9° |
| C21 | C20 | H9 | 120.4° | 119.9° |
| C20 | C21 | H10 | 119.9° | 120.2° |
| H1 | C4 | H2 | 109.5° | 115.5° |
| H3 | C5 | H4 | 109.4° | 109.2° |
| H11 | C3 | H12 | 109.5° | 115.6° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.6° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 176.0° | 180.0° |
| C13 | C12 | C11 | C16 | 1.9° | 0.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| C12 | C13 | C14 | H19 | 179.2° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | C10 | C16 | 177.9° | 180.0° |
| C12 | C11 | C10 | N3 | 178.0° | 180.0° |
| C12 | C11 | C16 | C15 | 2.1° | 0.0° |
| C12 | C11 | C16 | C8 | 179.1° | 179.9° |
| C12 | C11 | C10 | H6 | 2.0° | 0.0° |
| C11 | C12 | C13 | H7 | 179.6° | 179.9° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H8 | 179.4° | 180.0° |
| C14 | C13 | C12 | H20 | 179.6° | 179.9° |
| C11 | C10 | N3 | H6 | 180.0° | 180.0° |
| C11 | C10 | N3 | C9 | 1.7° | 0.0° |
| C10 | C11 | C16 | C15 | 175.9° | 179.9° |
| C10 | C11 | C16 | C8 | 2.8° | 0.0° |
| C10 | C11 | C12 | H20 | 4.0° | 0.1° |
| N3 | C10 | C11 | C16 | 0.1° | 0.0° |
| C10 | N3 | C9 | C8 | 0.6° | 0.0° |
| C10 | N3 | C9 | H21 | 179.4° | 180.0° |
| C11 | C16 | C15 | C14 | 0.9° | 0.1° |
| C11 | C16 | C15 | C8 | 178.7° | 179.9° |
| C11 | C16 | C8 | C9 | 3.8° | 0.0° |
| C11 | C16 | C8 | N2 | 170.1° | 180.0° |
| C16 | C11 | C10 | H6 | 179.9° | 180.0° |
| C11 | C16 | C15 | H8 | 179.1° | 180.0° |
| C16 | C11 | C12 | H20 | 178.1° | 179.9° |
| N3 | C9 | C8 | C16 | 2.1° | 0.0° |
| N3 | C9 | C8 | H21 | 180.0° | 180.0° |
| N3 | C9 | C8 | N2 | 171.3° | 180.0° |
| C9 | N3 | C10 | H6 | 178.3° | 180.0° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C8 | 179.6° | 180.0° |
| C15 | C14 | C13 | H7 | 179.1° | 179.9° |
| C15 | C16 | C8 | C9 | 174.9° | 179.9° |
| C15 | C16 | C8 | N2 | 11.3° | 0.1° |
| C16 | C15 | C14 | H19 | 179.5° | 179.9° |
| C16 | C8 | C9 | N2 | 173.4° | 180.0° |
| C16 | C8 | N2 | C7 | 86.0° | 160.3° |
| C8 | C16 | C15 | H8 | 0.4° | 0.1° |
| C16 | C8 | N2 | H18 | 94.0° | 19.6° |
| C16 | C8 | C9 | H21 | 177.9° | 179.9° |
| C9 | C8 | N2 | C7 | 87.4° | 19.7° |
| C9 | C8 | N2 | H18 | 92.6° | 160.3° |
| C8 | N2 | C7 | H18 | 180.0° | 179.9° |
| C8 | N2 | C7 | C6 | 175.2° | 174.5° |
| C8 | N2 | C7 | O1 | 1.5° | 5.5° |
| N2 | C8 | C9 | H21 | 8.7° | 0.0° |
| N2 | C7 | C6 | O1 | 176.8° | 180.0° |
| N2 | C7 | C6 | C5 | 92.4° | 180.0° |
| N2 | C7 | C6 | C17 | 147.8° | 59.3° |
| N2 | C7 | C6 | H5 | 27.2° | 60.3° |
| C7 | C6 | C5 | C17 | 119.9° | 120.2° |
| C7 | C6 | C5 | H5 | 119.6° | 119.6° |
| C7 | C6 | C17 | H5 | 120.4° | 119.6° |
| C7 | C6 | C5 | N1 | 72.8° | 69.7° |
| C7 | C6 | C17 | C18 | 90.4° | 93.1° |
| C7 | C6 | C17 | C22 | 84.7° | 86.8° |
| C7 | C6 | C5 | H3 | 47.5° | 170.0° |
| C7 | C6 | C5 | H4 | 166.9° | 50.7° |
| C6 | C7 | N2 | H18 | 4.8° | 5.5° |
| O1 | C7 | C6 | C5 | 84.4° | 0.0° |
| O1 | C7 | C6 | C17 | 35.4° | 120.7° |
| O1 | C7 | C6 | H5 | 156.0° | 119.7° |
| O1 | C7 | N2 | H18 | 178.5° | 174.5° |
| C5 | C6 | C17 | H5 | 120.4° | 120.2° |
| C6 | C5 | N1 | H3 | 120.3° | 120.4° |
| C6 | C5 | N1 | H4 | 120.3° | 120.3° |
| C6 | C5 | N1 | C2 | 148.9° | 139.5° |
| C6 | C5 | N1 | C23 | 35.8° | 40.3° |
| C5 | C6 | C17 | C18 | 150.4° | 146.7° |
| C5 | C6 | C17 | C22 | 34.5° | 33.4° |
| C6 | C5 | H3 | H4 | 119.2° | 119.3° |
| C17 | C6 | C5 | N1 | 47.1° | 50.5° |
| C6 | C17 | C18 | C22 | 175.1° | 179.9° |
| C6 | C17 | C18 | C19 | 172.4° | 179.3° |
| C6 | C17 | C22 | C23 | 5.0° | 2.0° |
| C6 | C17 | C22 | C21 | 170.1° | 179.0° |
| C17 | C6 | C5 | H3 | 167.4° | 69.8° |
| C17 | C6 | C5 | H4 | 73.2° | 170.9° |
| C6 | C17 | C18 | H17 | 7.6° | 0.6° |
| C5 | N1 | C2 | C4 | 47.2° | 112.2° |
| C5 | N1 | C2 | C1 | 98.8° | 102.0° |
| C5 | N1 | C2 | C23 | 175.6° | 179.8° |
| C5 | N1 | C2 | C3 | 114.3° | 43.7° |
| C5 | N1 | C23 | C22 | 5.3° | 8.1° |
| C5 | N1 | C23 | O2 | 178.9° | 172.1° |
| N1 | C5 | H3 | H4 | 119.1° | 119.3° |
| N1 | C5 | C6 | H5 | 167.6° | 170.7° |
| C2 | C4 | C3 | H1 | 109.6° | 107.5° |
| C2 | C4 | C3 | H2 | 109.5° | 107.5° |
| C4 | C2 | C1 | O | 18.3° | 27.6° |
| C4 | C2 | C1 | N | 161.7° | 152.3° |
| C4 | C2 | C1 | N1 | 146.0° | 145.7° |
| C4 | C2 | C1 | C3 | 66.9° | 68.6° |
| C4 | C2 | N1 | C3 | 67.1° | 68.6° |
| C4 | C2 | N1 | C23 | 128.4° | 67.6° |
| C2 | C4 | H1 | H2 | 144.6° | 145.6° |
| C2 | C4 | C3 | H11 | 109.5° | 107.4° |
| C2 | C4 | C3 | H12 | 109.6° | 107.5° |
| C3 | C4 | H1 | H2 | 144.6° | 145.7° |
| C4 | C3 | H11 | H12 | 144.6° | 145.7° |
| O | C1 | N | C | 0.1° | 4.9° |
| O | C1 | N | C2 | 180.0° | 179.9° |
| O | C1 | C2 | N1 | 164.3° | 173.3° |
| O | C1 | C2 | C3 | 48.7° | 41.0° |
| O | C1 | N | H13 | 179.9° | 175.0° |
| C | N | C1 | H13 | 180.0° | 179.9° |
| C | N | C1 | C2 | 179.9° | 175.1° |
| N | C | H14 | H15 | 120.0° | 120.0° |
| N | C | H14 | H16 | 120.0° | 120.0° |
| N | C | H15 | H16 | 120.0° | 119.9° |
| N | C1 | C2 | N1 | 15.7° | 6.6° |
| N | C1 | C2 | C3 | 131.3° | 139.1° |
| C1 | N | C | H14 | 180.0° | 180.0° |
| C1 | N | C | H15 | 60.0° | 60.0° |
| C1 | N | C | H16 | 60.0° | 60.0° |
| C1 | C2 | N1 | C3 | 146.9° | 145.7° |
| C1 | C2 | N1 | C23 | 85.7° | 78.2° |
| C1 | C2 | C4 | H1 | 3.2° | 0.1° |
| C1 | C2 | C4 | H2 | 144.0° | 145.0° |
| C1 | C2 | C3 | H11 | 3.5° | 0.0° |
| C1 | C2 | C3 | H12 | 144.4° | 145.0° |
| C2 | C1 | N | H13 | 0.1° | 4.9° |
| C2 | N1 | C23 | C22 | 179.4° | 171.8° |
| C2 | N1 | C23 | O2 | 5.9° | 8.1° |
| N1 | C2 | C4 | H1 | 143.7° | 145.0° |
| N1 | C2 | C4 | H2 | 2.8° | 0.1° |
| C2 | N1 | C5 | H3 | 28.6° | 100.1° |
| C2 | N1 | C5 | H4 | 90.8° | 19.2° |
| N1 | C2 | C3 | H11 | 144.3° | 145.0° |
| N1 | C2 | C3 | H12 | 3.4° | 0.0° |
| C3 | C2 | N1 | C23 | 61.2° | 136.2° |
| C2 | C3 | H11 | H12 | 144.6° | 145.6° |
| N1 | C23 | C22 | C17 | 11.4° | 12.6° |
| N1 | C23 | C22 | O2 | 173.5° | 179.9° |
| N1 | C23 | C22 | C21 | 173.4° | 166.3° |
| C23 | N1 | C5 | H3 | 156.1° | 80.1° |
| C23 | N1 | C5 | H4 | 84.5° | 160.6° |
| C17 | C18 | C19 | H17 | 180.0° | 180.0° |
| C18 | C17 | C22 | C23 | 179.9° | 178.0° |
| C18 | C17 | C22 | C21 | 5.0° | 0.9° |
| C17 | C18 | C19 | CL | 179.1° | 180.0° |
| C17 | C18 | C19 | C20 | 0.7° | 0.0° |
| C18 | C17 | C6 | H5 | 30.0° | 26.5° |
| C22 | C17 | C18 | C19 | 2.7° | 0.6° |
| C17 | C22 | C23 | C21 | 175.2° | 178.9° |
| C17 | C22 | C23 | O2 | 162.1° | 167.3° |
| C17 | C22 | C21 | C20 | 3.8° | 0.6° |
| C22 | C17 | C6 | H5 | 155.0° | 153.5° |
| C17 | C22 | C21 | H10 | 176.1° | 179.3° |
| C22 | C17 | C18 | H17 | 177.3° | 179.4° |
| C18 | C19 | CL | C20 | 178.4° | 179.9° |
| C18 | C19 | C20 | C21 | 1.9° | 0.3° |
| C18 | C19 | C20 | H9 | 178.1° | 179.6° |
| C23 | C22 | C21 | C20 | 179.0° | 178.3° |
| C23 | C22 | C21 | H10 | 0.9° | 1.8° |
| O2 | C23 | C22 | C21 | 13.1° | 13.8° |
| C22 | C21 | C20 | C19 | 0.4° | 0.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | H9 | 179.6° | 179.9° |
| CL | C19 | C20 | C21 | 179.7° | 179.7° |
| CL | C19 | C20 | H9 | 0.3° | 0.4° |
| CL | C19 | C18 | H17 | 0.9° | 0.1° |
| C19 | C20 | C21 | H9 | 180.0° | 179.9° |
| C19 | C20 | C21 | H10 | 179.6° | 179.9° |
| C20 | C19 | C18 | H17 | 179.3° | 180.0° |
| H1 | C4 | C3 | H11 | 0.0° | 0.1° |
| H1 | C4 | C3 | H12 | 140.9° | 145.0° |
| H2 | C4 | C3 | H11 | 140.9° | 145.1° |
| H2 | C4 | C3 | H12 | 0.0° | 0.0° |
| H3 | C5 | C6 | H5 | 72.1° | 50.3° |
| H4 | C5 | C6 | H5 | 47.3° | 69.0° |
| H7 | C13 | C14 | H19 | 0.9° | 0.1° |
| H7 | C13 | C12 | H20 | 0.4° | 0.0° |
| H8 | C15 | C14 | H19 | 0.6° | 0.0° |
| H9 | C20 | C21 | H10 | 0.4° | 0.0° |
| H13 | N | C | H14 | 0.0° | 0.0° |
| H13 | N | C | H15 | 120.0° | 119.9° |
| H13 | N | C | H16 | 120.0° | 120.1° |
| H14 | C | H15 | H16 | 120.0° | 120.1° |
