A1LV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.52Å | Aromatic |
| C34 | N11 | sing | 1.32Å | 1.48Å | Aromatic |
| C35 | C32 | sing | 1.39Å | 1.49Å | Aromatic |
| N11 | C25 | doub | 1.32Å | 1.48Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.49Å | Aromatic |
| C25 | C31 | sing | 1.39Å | 1.52Å | Aromatic |
| C25 | N07 | sing | 1.40Å | 1.44Å | |
| C38 | N14 | sing | 1.47Å | 1.45Å | |
| C31 | CL1 | sing | 1.74Å | 1.78Å | |
| N14 | C30 | sing | 1.35Å | 1.46Å | |
| O05 | C22 | doub | 1.22Å | 1.18Å | |
| N07 | N09 | sing | 1.40Å | 1.38Å | Aromatic |
| N07 | C17 | sing | 1.37Å | 1.33Å | Aromatic |
| N09 | C18 | doub | 1.31Å | 1.32Å | Aromatic |
| C30 | O06 | doub | 1.22Å | 1.18Å | |
| C30 | C24 | sing | 1.48Å | 1.54Å | |
| C17 | C22 | sing | 1.47Å | 1.52Å | |
| C17 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | N08 | sing | 1.35Å | 1.45Å | |
| C18 | C20 | sing | 1.39Å | 1.36Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.52Å | |
| C24 | C27 | doub | 1.39Å | 1.53Å | Aromatic |
| C24 | C19 | sing | 1.41Å | 1.53Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.52Å | Aromatic |
| C21 | N10 | sing | 1.47Å | 1.44Å | |
| N08 | C19 | sing | 1.39Å | 1.44Å | |
| C19 | C23 | doub | 1.39Å | 1.52Å | Aromatic |
| N10 | N13 | sing | 1.29Å | 1.33Å | Aromatic |
| N10 | N12 | sing | 1.29Å | 1.35Å | Aromatic |
| C28 | C36 | sing | 1.43Å | 1.52Å | |
| C28 | C26 | doub | 1.40Å | 1.52Å | Aromatic |
| N16 | C36 | trip | 1.14Å | 1.13Å | |
| N13 | N15 | doub | 1.29Å | 1.35Å | Aromatic |
| N12 | C33 | doub | 1.31Å | 1.34Å | Aromatic |
| C23 | C26 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | C29 | sing | 1.51Å | 1.52Å | |
| N15 | C33 | sing | 1.33Å | 1.34Å | Aromatic |
| F03 | C37 | sing | 1.40Å | 1.36Å | |
| C33 | C37 | sing | 1.51Å | 1.52Å | |
| C37 | F02 | sing | 1.40Å | 1.36Å | |
| C37 | F04 | sing | 1.40Å | 1.36Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.08Å | 1.08Å | |
| C34 | H10 | sing | 1.08Å | 1.08Å | |
| C35 | H11 | sing | 1.08Å | 1.08Å | |
| C38 | H12 | sing | 1.09Å | 1.10Å | |
| C38 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| N08 | H15 | sing | 0.97Å | 1.00Å | |
| N14 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | N11 | 120.1° | 120.8° |
| C34 | C35 | C32 | 119.6° | 119.4° |
| C35 | C34 | H10 | 120.0° | 119.5° |
| C34 | C35 | H11 | 120.2° | 120.4° |
| C34 | N11 | C25 | 120.3° | 121.7° |
| N11 | C34 | H10 | 119.9° | 119.6° |
| C35 | C32 | C31 | 120.1° | 118.4° |
| C35 | C32 | H9 | 120.0° | 120.8° |
| C32 | C35 | H11 | 120.2° | 120.3° |
| N11 | C25 | C31 | 119.8° | 120.6° |
| N11 | C25 | N07 | 118.7° | 119.6° |
| C32 | C31 | C25 | 120.1° | 119.1° |
| C32 | C31 | CL1 | 120.1° | 120.5° |
| C31 | C32 | H9 | 120.0° | 120.7° |
| C31 | C25 | N07 | 121.4° | 119.7° |
| C25 | C31 | CL1 | 119.8° | 120.4° |
| C25 | N07 | N09 | 122.5° | 126.1° |
| C25 | N07 | C17 | 129.6° | 126.2° |
| C38 | N14 | C30 | 125.4° | 119.9° |
| N14 | C38 | H12 | 109.5° | 109.4° |
| N14 | C38 | H13 | 109.5° | 109.5° |
| N14 | C38 | H14 | 109.5° | 109.5° |
| C38 | N14 | H16 | 117.3° | 120.0° |
| N14 | C30 | O06 | 114.3° | 120.0° |
| N14 | C30 | C24 | 127.3° | 120.0° |
| C30 | N14 | H16 | 117.3° | 120.0° |
| O05 | C22 | C17 | 120.5° | 120.0° |
| O05 | C22 | N08 | 119.0° | 120.0° |
| N09 | N07 | C17 | 107.9° | 107.7° |
| N07 | N09 | C18 | 108.3° | 108.8° |
| N07 | C17 | C22 | 127.8° | 126.6° |
| N07 | C17 | C20 | 107.8° | 106.9° |
| N09 | C18 | C20 | 108.2° | 108.8° |
| N09 | C18 | C21 | 125.2° | 125.6° |
| O06 | C30 | C24 | 118.4° | 120.0° |
| C30 | C24 | C27 | 124.0° | 120.1° |
| C30 | C24 | C19 | 118.2° | 120.1° |
| C22 | C17 | C20 | 124.4° | 126.5° |
| C17 | C22 | N08 | 120.5° | 120.1° |
| C17 | C20 | C18 | 107.8° | 107.7° |
| C17 | C20 | H1 | 126.1° | 126.1° |
| C22 | N08 | C19 | 118.0° | 120.0° |
| C22 | N08 | H15 | 121.0° | 120.0° |
| C20 | C18 | C21 | 126.6° | 125.6° |
| C18 | C20 | H1 | 126.1° | 126.2° |
| C18 | C21 | N10 | 110.8° | 109.5° |
| C18 | C21 | H2 | 109.1° | 109.5° |
| C18 | C21 | H3 | 109.2° | 109.5° |
| C27 | C24 | C19 | 117.8° | 119.7° |
| C24 | C27 | C28 | 121.2° | 119.7° |
| C24 | C27 | H5 | 119.4° | 120.1° |
| C24 | C19 | N08 | 120.2° | 120.0° |
| C24 | C19 | C23 | 120.9° | 120.0° |
| C27 | C28 | C36 | 117.8° | 120.0° |
| C27 | C28 | C26 | 120.5° | 120.1° |
| C28 | C27 | H5 | 119.4° | 120.1° |
| C21 | N10 | N13 | 127.2° | 125.4° |
| C21 | N10 | N12 | 124.2° | 125.5° |
| N10 | C21 | H2 | 109.2° | 109.5° |
| N10 | C21 | H3 | 109.1° | 109.4° |
| N08 | C19 | C23 | 118.9° | 120.0° |
| C19 | N08 | H15 | 121.0° | 120.0° |
| C19 | C23 | C26 | 120.7° | 120.3° |
| C19 | C23 | C29 | 119.7° | 119.9° |
| N13 | N10 | N12 | 108.6° | 109.1° |
| N10 | N13 | N15 | 107.4° | 108.7° |
| N10 | N12 | C33 | 107.8° | 107.9° |
| C36 | C28 | C26 | 121.7° | 120.0° |
| C28 | C36 | N16 | 178.8° | 180.0° |
| C28 | C26 | C23 | 118.9° | 120.2° |
| C28 | C26 | H4 | 120.5° | 119.9° |
| N13 | N15 | C33 | 108.0° | 107.4° |
| N12 | C33 | N15 | 108.2° | 106.9° |
| N12 | C33 | C37 | 125.0° | 126.5° |
| C26 | C23 | C29 | 119.6° | 119.9° |
| C23 | C26 | H4 | 120.6° | 119.9° |
| C23 | C29 | H6 | 109.5° | 109.5° |
| C23 | C29 | H7 | 109.5° | 109.5° |
| C23 | C29 | H8 | 109.4° | 109.5° |
| N15 | C33 | C37 | 126.8° | 126.5° |
| F03 | C37 | C33 | 109.6° | 109.5° |
| F03 | C37 | F02 | 109.9° | 109.5° |
| F03 | C37 | F04 | 109.3° | 109.5° |
| C33 | C37 | F02 | 109.5° | 109.5° |
| C33 | C37 | F04 | 108.7° | 109.5° |
| F02 | C37 | F04 | 109.7° | 109.5° |
| H2 | C21 | H3 | 109.4° | 109.5° |
| H6 | C29 | H7 | 109.4° | 109.5° |
| H6 | C29 | H8 | 109.5° | 109.5° |
| H7 | C29 | H8 | 109.5° | 109.4° |
| H12 | C38 | H13 | 109.5° | 109.5° |
| H12 | C38 | H14 | 109.5° | 109.5° |
| H13 | C38 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | N11 | H10 | 180.0° | 179.7° |
| C34 | C35 | C32 | H11 | 180.0° | 179.8° |
| C35 | C34 | N11 | C25 | 0.4° | 0.5° |
| C34 | C35 | C32 | C31 | 0.5° | 0.0° |
| C34 | C35 | C32 | H9 | 179.5° | 180.0° |
| N11 | C34 | C35 | C32 | 0.2° | 0.3° |
| C34 | N11 | C25 | C31 | 0.9° | 0.5° |
| C34 | N11 | C25 | N07 | 179.2° | 179.8° |
| N11 | C34 | C35 | H11 | 179.8° | 180.0° |
| C35 | C32 | C31 | H9 | 180.0° | 179.9° |
| C35 | C32 | C31 | C25 | 0.9° | 0.1° |
| C35 | C32 | C31 | CL1 | 179.8° | 180.0° |
| C32 | C35 | C34 | H10 | 179.8° | 180.0° |
| N11 | C25 | C31 | C32 | 1.2° | 0.3° |
| N11 | C25 | C31 | N07 | 178.3° | 179.7° |
| N11 | C25 | C31 | CL1 | 179.5° | 179.8° |
| N11 | C25 | N07 | N09 | 53.8° | 173.1° |
| N11 | C25 | N07 | C17 | 126.5° | 7.4° |
| C25 | N11 | C34 | H10 | 179.6° | 179.8° |
| C32 | C31 | C25 | CL1 | 179.3° | 179.9° |
| C32 | C31 | C25 | N07 | 179.5° | 180.0° |
| C31 | C32 | C35 | H11 | 179.5° | 179.8° |
| C31 | C25 | N07 | N09 | 124.5° | 6.6° |
| C31 | C25 | N07 | C17 | 55.1° | 173.0° |
| C25 | C31 | C32 | H9 | 179.0° | 180.0° |
| N07 | C25 | C31 | CL1 | 1.2° | 0.1° |
| C25 | N07 | N09 | C17 | 179.7° | 179.6° |
| C25 | N07 | N09 | C18 | 179.8° | 180.0° |
| C25 | N07 | C17 | C22 | 0.6° | 0.2° |
| C25 | N07 | C17 | C20 | 180.0° | 179.8° |
| C38 | N14 | C30 | H16 | 180.0° | 180.0° |
| C38 | N14 | C30 | O06 | 179.8° | 0.0° |
| C38 | N14 | C30 | C24 | 0.0° | 180.0° |
| N14 | C38 | H12 | H13 | 120.0° | 120.0° |
| N14 | C38 | H12 | H14 | 120.0° | 120.0° |
| N14 | C38 | H13 | H14 | 120.0° | 120.0° |
| CL1 | C31 | C32 | H9 | 0.2° | 0.1° |
| N14 | C30 | O06 | C24 | 179.8° | 180.0° |
| N14 | C30 | C24 | C27 | 0.1° | 5.2° |
| N14 | C30 | C24 | C19 | 179.5° | 174.7° |
| C30 | N14 | C38 | H12 | 180.0° | 180.0° |
| C30 | N14 | C38 | H13 | 60.0° | 60.0° |
| C30 | N14 | C38 | H14 | 60.0° | 60.0° |
| O05 | C22 | C17 | N07 | 31.2° | 5.7° |
| O05 | C22 | C17 | N08 | 178.9° | 180.0° |
| O05 | C22 | C17 | C20 | 148.0° | 174.2° |
| O05 | C22 | N08 | C19 | 0.3° | 3.6° |
| O05 | C22 | N08 | H15 | 179.7° | 176.4° |
| N09 | N07 | C17 | C22 | 179.7° | 179.8° |
| N09 | N07 | C17 | C20 | 0.3° | 0.3° |
| N07 | N09 | C18 | C20 | 0.2° | 0.4° |
| N07 | N09 | C18 | C21 | 180.0° | 179.9° |
| C17 | N07 | N09 | C18 | 0.1° | 0.4° |
| N07 | C17 | C22 | C20 | 179.3° | 179.9° |
| N07 | C17 | C22 | N08 | 149.9° | 174.3° |
| N07 | C17 | C20 | C18 | 0.5° | 0.0° |
| N07 | C17 | C20 | H1 | 179.5° | 180.0° |
| N09 | C18 | C20 | C17 | 0.5° | 0.2° |
| N09 | C18 | C20 | C21 | 179.7° | 179.8° |
| N09 | C18 | C21 | N10 | 54.8° | 54.7° |
| N09 | C18 | C20 | H1 | 179.5° | 179.7° |
| N09 | C18 | C21 | H2 | 175.0° | 65.3° |
| N09 | C18 | C21 | H3 | 65.4° | 174.7° |
| O06 | C30 | C24 | C27 | 179.9° | 174.8° |
| O06 | C30 | C24 | C19 | 0.3° | 5.3° |
| O06 | C30 | N14 | H16 | 0.2° | 180.0° |
| C30 | C24 | C27 | C19 | 179.6° | 179.9° |
| C30 | C24 | C27 | C28 | 179.7° | 180.0° |
| C30 | C24 | C19 | N08 | 0.7° | 0.2° |
| C30 | C24 | C19 | C23 | 180.0° | 180.0° |
| C30 | C24 | C27 | H5 | 0.3° | 0.0° |
| C24 | C30 | N14 | H16 | 179.9° | 0.0° |
| C22 | C17 | C20 | C18 | 179.9° | 180.0° |
| C17 | C22 | N08 | C19 | 179.2° | 176.4° |
| C22 | C17 | C20 | H1 | 0.1° | 0.1° |
| C17 | C22 | N08 | H15 | 0.8° | 3.6° |
| C20 | C17 | C22 | N08 | 30.9° | 5.8° |
| C17 | C20 | C18 | H1 | 180.0° | 179.9° |
| C17 | C20 | C18 | C21 | 179.8° | 180.0° |
| C22 | N08 | C19 | C24 | 79.9° | 113.6° |
| C22 | N08 | C19 | H15 | 180.0° | 180.0° |
| C22 | N08 | C19 | C23 | 99.4° | 66.2° |
| C20 | C18 | C21 | N10 | 125.5° | 125.0° |
| C20 | C18 | C21 | H2 | 5.3° | 115.0° |
| C20 | C18 | C21 | H3 | 114.3° | 5.0° |
| C18 | C21 | N10 | H2 | 120.2° | 120.0° |
| C18 | C21 | N10 | H3 | 120.2° | 120.0° |
| C18 | C21 | N10 | N13 | 2.1° | 90.0° |
| C18 | C21 | N10 | N12 | 178.0° | 90.0° |
| C21 | C18 | C20 | H1 | 0.2° | 0.1° |
| C18 | C21 | H2 | H3 | 119.4° | 120.0° |
| C24 | C27 | C28 | H5 | 180.0° | 180.0° |
| C27 | C24 | C19 | N08 | 179.7° | 179.7° |
| C27 | C24 | C19 | C23 | 0.4° | 0.1° |
| C24 | C27 | C28 | C36 | 179.9° | 179.9° |
| C24 | C27 | C28 | C26 | 0.1° | 0.1° |
| C19 | C24 | C27 | C28 | 0.1° | 0.1° |
| C24 | C19 | N08 | C23 | 179.3° | 179.8° |
| C24 | C19 | C23 | C26 | 0.5° | 0.0° |
| C24 | C19 | C23 | C29 | 179.6° | 180.0° |
| C19 | C24 | C27 | H5 | 179.9° | 179.9° |
| C24 | C19 | N08 | H15 | 100.1° | 66.4° |
| C27 | C28 | C36 | C26 | 179.9° | 180.0° |
| C27 | C28 | C36 | N16 | 5.1° | 173.8° |
| C27 | C28 | C26 | C23 | 0.1° | 0.0° |
| C27 | C28 | C26 | H4 | 179.9° | 180.0° |
| C21 | N10 | N13 | N12 | 180.0° | 180.0° |
| C21 | N10 | N13 | N15 | 180.0° | 180.0° |
| C21 | N10 | N12 | C33 | 180.0° | 179.8° |
| N10 | C21 | H2 | H3 | 119.4° | 119.9° |
| N08 | C19 | C23 | C26 | 179.7° | 179.8° |
| N08 | C19 | C23 | C29 | 0.3° | 0.2° |
| C19 | C23 | C26 | C28 | 0.2° | 0.0° |
| C19 | C23 | C26 | C29 | 180.0° | 180.0° |
| C19 | C23 | C26 | H4 | 179.8° | 180.0° |
| C19 | C23 | C29 | H6 | 90.0° | 96.1° |
| C19 | C23 | C29 | H7 | 150.0° | 143.9° |
| C19 | C23 | C29 | H8 | 30.0° | 24.0° |
| C23 | C19 | N08 | H15 | 80.6° | 113.8° |
| N13 | N10 | N12 | C33 | 0.0° | 0.2° |
| N10 | N13 | N15 | C33 | 0.0° | 0.1° |
| N13 | N10 | C21 | H2 | 122.2° | 30.0° |
| N13 | N10 | C21 | H3 | 118.2° | 150.0° |
| N12 | N10 | N13 | N15 | 0.0° | 0.0° |
| N10 | N12 | C33 | N15 | 0.0° | 0.2° |
| N10 | N12 | C33 | C37 | 179.9° | 180.0° |
| N12 | N10 | C21 | H2 | 57.8° | 150.0° |
| N12 | N10 | C21 | H3 | 61.8° | 30.0° |
| C36 | C28 | C26 | C23 | 180.0° | 180.0° |
| C36 | C28 | C26 | H4 | 0.0° | 0.1° |
| C36 | C28 | C27 | H5 | 0.1° | 0.0° |
| C26 | C28 | C36 | N16 | 174.8° | 6.2° |
| C28 | C26 | C23 | H4 | 180.0° | 180.0° |
| C28 | C26 | C23 | C29 | 179.8° | 180.0° |
| C26 | C28 | C27 | H5 | 179.9° | 180.0° |
| N13 | N15 | C33 | N12 | 0.0° | 0.2° |
| N13 | N15 | C33 | C37 | 180.0° | 180.0° |
| N12 | C33 | N15 | C37 | 180.0° | 179.8° |
| N12 | C33 | C37 | F03 | 72.3° | 135.0° |
| N12 | C33 | C37 | F02 | 167.0° | 104.9° |
| N12 | C33 | C37 | F04 | 47.2° | 15.0° |
| C26 | C23 | C29 | H6 | 90.0° | 83.9° |
| C26 | C23 | C29 | H7 | 30.0° | 36.1° |
| C26 | C23 | C29 | H8 | 150.0° | 156.0° |
| C29 | C23 | C26 | H4 | 0.2° | 0.0° |
| C23 | C29 | H6 | H7 | 120.0° | 120.0° |
| C23 | C29 | H6 | H8 | 120.0° | 120.0° |
| C23 | C29 | H7 | H8 | 120.0° | 120.0° |
| N15 | C33 | C37 | F03 | 107.8° | 44.7° |
| N15 | C33 | C37 | F02 | 12.9° | 75.3° |
| N15 | C33 | C37 | F04 | 132.8° | 164.7° |
| F03 | C37 | C33 | F02 | 120.7° | 120.1° |
| F03 | C37 | C33 | F04 | 119.4° | 120.0° |
| F03 | C37 | F02 | F04 | 120.3° | 120.0° |
| C33 | C37 | F02 | F04 | 119.2° | 120.0° |
| H6 | C29 | H7 | H8 | 120.0° | 120.0° |
| H9 | C32 | C35 | H11 | 0.5° | 0.3° |
| H10 | C34 | C35 | H11 | 0.2° | 0.3° |
| H12 | C38 | H13 | H14 | 120.0° | 120.0° |
| H12 | C38 | N14 | H16 | 0.0° | 0.0° |
| H13 | C38 | N14 | H16 | 120.0° | 120.0° |
| H14 | C38 | N14 | H16 | 120.0° | 120.0° |
