07U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C6 | sing | 1.47Å | 1.46Å | |
| C14 | C6 | sing | 1.53Å | 1.54Å | |
| C10 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | C3 | sing | 1.53Å | 1.57Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C18 | sing | 1.38Å | 1.36Å | |
| C18 | N19 | doub | 1.32Å | 1.36Å | Aromatic |
| C18 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| N19 | C20 | sing | 1.34Å | 1.35Å | Aromatic |
| C29 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C27 | sing | 1.37Å | 1.40Å | Aromatic |
| C31 | C23 | sing | 1.42Å | 1.41Å | Aromatic |
| C40 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | N26 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | C32 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C38 | N37 | sing | 1.32Å | 1.35Å | Aromatic |
| C32 | C33 | doub | 1.40Å | 1.43Å | Aromatic |
| C23 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| N37 | C35 | doub | 1.32Å | 1.36Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N26 | C24 | sing | 1.31Å | 1.36Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| N7 | H9 | sing | 1.01Å | 1.00Å | |
| N7 | H10 | sing | 1.01Å | 1.00Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C38 | H19 | sing | 1.08Å | 1.08Å | |
| C40 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C6 | C14 | 107.1° | 109.5° |
| N7 | C6 | C10 | 109.3° | 109.4° |
| N7 | C6 | C3 | 112.1° | 109.5° |
| C6 | N7 | H9 | 109.5° | 111.0° |
| C6 | N7 | H10 | 109.5° | 111.0° |
| C14 | C6 | C10 | 110.4° | 109.5° |
| C14 | C6 | C3 | 110.8° | 109.5° |
| C6 | C14 | H12 | 109.5° | 109.5° |
| C6 | C14 | H13 | 109.4° | 109.4° |
| C6 | C14 | H14 | 109.5° | 109.5° |
| C10 | C6 | C3 | 107.3° | 109.5° |
| C6 | C10 | H2 | 109.5° | 109.4° |
| C6 | C10 | H3 | 109.5° | 109.5° |
| C6 | C10 | H4 | 109.5° | 109.5° |
| C6 | C3 | N1 | 108.4° | 109.5° |
| C6 | C3 | H7 | 109.8° | 109.5° |
| C6 | C3 | H8 | 109.9° | 109.5° |
| C3 | N1 | C18 | 126.0° | 120.0° |
| C3 | N1 | H1 | 104.3° | 120.1° |
| N1 | C3 | H7 | 109.9° | 109.5° |
| N1 | C3 | H8 | 109.8° | 109.5° |
| N1 | C18 | N19 | 117.2° | 120.0° |
| N1 | C18 | C31 | 122.4° | 120.1° |
| C18 | N1 | H1 | 104.3° | 119.9° |
| N19 | C18 | C31 | 120.4° | 119.8° |
| C18 | N19 | C20 | 122.6° | 122.6° |
| C18 | C31 | C29 | 123.4° | 122.8° |
| C18 | C31 | C23 | 117.9° | 119.0° |
| N19 | C20 | C32 | 118.2° | 119.2° |
| N19 | C20 | C21 | 119.3° | 121.7° |
| C31 | C29 | C27 | 119.7° | 118.6° |
| C29 | C31 | C23 | 118.6° | 118.2° |
| C31 | C29 | H16 | 120.1° | 120.7° |
| C29 | C27 | N26 | 120.6° | 121.9° |
| C29 | C27 | H15 | 119.7° | 119.0° |
| C27 | C29 | H16 | 120.1° | 120.7° |
| C31 | C23 | C21 | 120.5° | 118.3° |
| C31 | C23 | C24 | 119.6° | 118.8° |
| C38 | C40 | C32 | 119.0° | 119.0° |
| C40 | C38 | N37 | 120.0° | 120.9° |
| C40 | C38 | H19 | 120.0° | 119.6° |
| C38 | C40 | H20 | 120.5° | 120.5° |
| C40 | C32 | C20 | 121.2° | 120.9° |
| C40 | C32 | C33 | 119.1° | 118.2° |
| C32 | C40 | H20 | 120.5° | 120.5° |
| C27 | N26 | C24 | 121.6° | 122.8° |
| N26 | C27 | H15 | 119.7° | 119.1° |
| C32 | C20 | C21 | 122.4° | 119.2° |
| C20 | C32 | C33 | 119.7° | 120.9° |
| C20 | C21 | C23 | 119.3° | 118.6° |
| C20 | C21 | H5 | 120.3° | 120.7° |
| C38 | N37 | C35 | 122.6° | 122.0° |
| N37 | C38 | H19 | 120.0° | 119.6° |
| C32 | C33 | C35 | 118.6° | 119.0° |
| C32 | C33 | H17 | 120.7° | 120.5° |
| C21 | C23 | C24 | 119.8° | 122.8° |
| C23 | C21 | H5 | 120.4° | 120.7° |
| C23 | C24 | N26 | 119.9° | 119.7° |
| C23 | C24 | H6 | 120.0° | 120.1° |
| N37 | C35 | C33 | 120.7° | 120.9° |
| N37 | C35 | H18 | 119.6° | 119.5° |
| C35 | C33 | H17 | 120.7° | 120.5° |
| C33 | C35 | H18 | 119.6° | 119.6° |
| N26 | C24 | H6 | 120.1° | 120.2° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H4 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.1° | 109.5° |
| H9 | N7 | H10 | 109.5° | 111.0° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H12 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C6 | C14 | C10 | 118.8° | 120.0° |
| N7 | C6 | C14 | C3 | 122.5° | 120.0° |
| N7 | C6 | C10 | C3 | 121.7° | 120.0° |
| N7 | C6 | C3 | N1 | 66.4° | 60.0° |
| N7 | C6 | C10 | H2 | 180.0° | 180.0° |
| N7 | C6 | C10 | H3 | 60.0° | 60.0° |
| N7 | C6 | C10 | H4 | 60.0° | 60.0° |
| N7 | C6 | C3 | H7 | 173.5° | 60.0° |
| N7 | C6 | C3 | H8 | 53.6° | 180.0° |
| C6 | N7 | H9 | H10 | 120.0° | 124.0° |
| N7 | C6 | C14 | H12 | 180.0° | 60.0° |
| N7 | C6 | C14 | H13 | 60.0° | 60.0° |
| N7 | C6 | C14 | H14 | 60.0° | 179.9° |
| C14 | C6 | C10 | C3 | 120.8° | 120.0° |
| C14 | C6 | C3 | N1 | 53.1° | 60.0° |
| C14 | C6 | C10 | H2 | 62.5° | 60.0° |
| C14 | C6 | C10 | H3 | 57.5° | 60.0° |
| C14 | C6 | C10 | H4 | 177.5° | 180.0° |
| C14 | C6 | C3 | H7 | 66.9° | 180.0° |
| C14 | C6 | C3 | H8 | 173.1° | 60.0° |
| C14 | C6 | N7 | H9 | 180.0° | 179.9° |
| C14 | C6 | N7 | H10 | 60.0° | 56.1° |
| C6 | C14 | H12 | H13 | 120.0° | 119.9° |
| C6 | C14 | H12 | H14 | 120.0° | 120.0° |
| C6 | C14 | H13 | H14 | 120.0° | 120.0° |
| C10 | C6 | C3 | N1 | 173.6° | 180.0° |
| C6 | C10 | H2 | H3 | 120.0° | 120.0° |
| C6 | C10 | H2 | H4 | 120.0° | 120.0° |
| C6 | C10 | H3 | H4 | 120.0° | 120.1° |
| C10 | C6 | C3 | H7 | 53.6° | 60.0° |
| C10 | C6 | C3 | H8 | 66.4° | 60.1° |
| C10 | C6 | N7 | H9 | 60.5° | 60.0° |
| C10 | C6 | N7 | H10 | 59.5° | 64.0° |
| C10 | C6 | C14 | H12 | 61.2° | 179.9° |
| C10 | C6 | C14 | H13 | 178.8° | 60.0° |
| C10 | C6 | C14 | H14 | 58.9° | 60.0° |
| C6 | C3 | N1 | H7 | 120.0° | 120.0° |
| C6 | C3 | N1 | H8 | 120.0° | 120.0° |
| C6 | C3 | N1 | C18 | 96.2° | 180.0° |
| C6 | C3 | N1 | H1 | 143.8° | 0.3° |
| C3 | C6 | C10 | H2 | 58.3° | 60.1° |
| C3 | C6 | C10 | H3 | 178.3° | 180.0° |
| C3 | C6 | C10 | H4 | 61.7° | 60.0° |
| C6 | C3 | H7 | H8 | 120.4° | 120.0° |
| C3 | C6 | N7 | H9 | 58.3° | 59.9° |
| C3 | C6 | N7 | H10 | 178.3° | 176.1° |
| C3 | C6 | C14 | H12 | 57.5° | 60.0° |
| C3 | C6 | C14 | H13 | 62.5° | 180.0° |
| C3 | C6 | C14 | H14 | 177.6° | 60.0° |
| C3 | N1 | C18 | H1 | 120.0° | 179.7° |
| C3 | N1 | C18 | N19 | 4.6° | 0.3° |
| C3 | N1 | C18 | C31 | 174.4° | 179.8° |
| N1 | C3 | H7 | H8 | 120.4° | 120.0° |
| N1 | C18 | N19 | C31 | 179.0° | 179.9° |
| N1 | C18 | N19 | C20 | 177.9° | 179.9° |
| N1 | C18 | C31 | C29 | 1.0° | 0.1° |
| N1 | C18 | C31 | C23 | 178.2° | 179.8° |
| C18 | N1 | C3 | H7 | 23.8° | 60.0° |
| C18 | N1 | C3 | H8 | 143.8° | 60.1° |
| N19 | C18 | C31 | C29 | 178.0° | 180.0° |
| N19 | C18 | C31 | C23 | 0.8° | 0.3° |
| C18 | N19 | C20 | C32 | 176.6° | 180.0° |
| C18 | N19 | C20 | C21 | 0.0° | 0.3° |
| N19 | C18 | N1 | H1 | 124.5° | 180.0° |
| C31 | C18 | N19 | C20 | 1.1° | 0.0° |
| C18 | C31 | C29 | C23 | 177.2° | 179.7° |
| C18 | C31 | C29 | C27 | 176.9° | 179.7° |
| C18 | C31 | C23 | C21 | 0.6° | 0.3° |
| C18 | C31 | C23 | C24 | 177.9° | 179.7° |
| C31 | C18 | N1 | H1 | 54.5° | 0.1° |
| C18 | C31 | C29 | H16 | 3.1° | 0.1° |
| N19 | C20 | C32 | C40 | 13.2° | 179.4° |
| N19 | C20 | C32 | C21 | 176.6° | 179.6° |
| N19 | C20 | C32 | C33 | 165.0° | 0.3° |
| N19 | C20 | C21 | C23 | 1.5° | 0.3° |
| N19 | C20 | C21 | H5 | 178.6° | 179.7° |
| C31 | C29 | C27 | H16 | 180.0° | 179.8° |
| C31 | C29 | C27 | N26 | 1.0° | 0.0° |
| C29 | C31 | C23 | C21 | 176.7° | 180.0° |
| C29 | C31 | C23 | C24 | 0.6° | 0.0° |
| C31 | C29 | C27 | H15 | 179.0° | 179.9° |
| C27 | C29 | C31 | C23 | 0.3° | 0.0° |
| C29 | C27 | N26 | H15 | 180.0° | 179.9° |
| C29 | C27 | N26 | C24 | 0.7° | 0.0° |
| C31 | C23 | C21 | C20 | 1.7° | 0.0° |
| C31 | C23 | C21 | C24 | 177.3° | 180.0° |
| C31 | C23 | C24 | N26 | 0.9° | 0.0° |
| C31 | C23 | C21 | H5 | 178.3° | 179.9° |
| C31 | C23 | C24 | H6 | 179.1° | 179.9° |
| C23 | C31 | C29 | H16 | 179.7° | 179.7° |
| C38 | C40 | C32 | H20 | 180.0° | 179.6° |
| C38 | C40 | C32 | C20 | 179.7° | 179.8° |
| C40 | C38 | N37 | H19 | 180.0° | 179.9° |
| C38 | C40 | C32 | C33 | 2.0° | 0.4° |
| C40 | C38 | N37 | C35 | 1.0° | 0.1° |
| C40 | C32 | C20 | C33 | 178.2° | 179.8° |
| C40 | C32 | C20 | C21 | 170.2° | 0.2° |
| C32 | C40 | C38 | N37 | 0.6° | 0.4° |
| C40 | C32 | C33 | C35 | 1.8° | 0.2° |
| C40 | C32 | C33 | H17 | 178.2° | 179.8° |
| C32 | C40 | C38 | H19 | 179.4° | 179.7° |
| C27 | N26 | C24 | C23 | 0.2° | 0.0° |
| C27 | N26 | C24 | H6 | 179.8° | 179.9° |
| N26 | C27 | C29 | H16 | 179.0° | 179.8° |
| C32 | C20 | C21 | C23 | 175.1° | 180.0° |
| C20 | C32 | C33 | C35 | 179.9° | 180.0° |
| C32 | C20 | C21 | H5 | 4.9° | 0.1° |
| C20 | C32 | C33 | H17 | 0.1° | 0.0° |
| C20 | C32 | C40 | H20 | 0.2° | 0.2° |
| C21 | C20 | C32 | C33 | 11.5° | 180.0° |
| C20 | C21 | C23 | H5 | 180.0° | 179.9° |
| C20 | C21 | C23 | C24 | 179.0° | 180.0° |
| C38 | N37 | C35 | C33 | 1.2° | 0.1° |
| C38 | N37 | C35 | H18 | 178.8° | 180.0° |
| N37 | C38 | C40 | H20 | 179.4° | 180.0° |
| C32 | C33 | C35 | N37 | 0.2° | 0.0° |
| C32 | C33 | C35 | H17 | 180.0° | 180.0° |
| C32 | C33 | C35 | H18 | 179.8° | 179.9° |
| C33 | C32 | C40 | H20 | 178.0° | 179.9° |
| C21 | C23 | C24 | N26 | 176.4° | 180.0° |
| C21 | C23 | C24 | H6 | 3.5° | 0.1° |
| C23 | C24 | N26 | H6 | 180.0° | 179.9° |
| C24 | C23 | C21 | H5 | 1.0° | 0.0° |
| N37 | C35 | C33 | H18 | 180.0° | 179.9° |
| N37 | C35 | C33 | H17 | 179.7° | 179.9° |
| C35 | N37 | C38 | H19 | 179.0° | 180.0° |
| C24 | N26 | C27 | H15 | 179.3° | 180.0° |
| H1 | N1 | C3 | H7 | 96.2° | 119.7° |
| H1 | N1 | C3 | H8 | 23.8° | 120.3° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H12 | C14 | H13 | H14 | 120.0° | 120.1° |
| H15 | C27 | C29 | H16 | 1.0° | 0.3° |
| H17 | C33 | C35 | H18 | 0.3° | 0.0° |
| H19 | C38 | C40 | H20 | 0.6° | 0.1° |
