7G8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N35 | sing | 1.46Å | 1.45Å | |
| O34 | C33 | doub | 1.22Å | 1.22Å | |
| N35 | C33 | sing | 1.35Å | 1.34Å | |
| C33 | C31 | sing | 1.48Å | 1.50Å | |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | N30 | sing | 1.33Å | 1.35Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N30 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | O26 | sing | 1.36Å | 1.37Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| O26 | C23 | sing | 1.36Å | 1.38Å | |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.40Å | 1.37Å | |
| N19 | C16 | sing | 1.39Å | 1.35Å | |
| C16 | N15 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | N17 | sing | 1.32Å | 1.34Å | Aromatic |
| N15 | C14 | sing | 1.33Å | 1.33Å | Aromatic |
| O10 | C8 | doub | 1.21Å | 1.23Å | |
| C37 | C9 | sing | 1.53Å | 1.52Å | |
| N17 | C12 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N7 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.47Å | Aromatic |
| C12 | N11 | sing | 1.39Å | 1.36Å | |
| C4 | N7 | sing | 1.40Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | F18 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N11 | sing | 1.40Å | 1.37Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| N35 | H7 | sing | 0.97Å | 1.00Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C32 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| N19 | H14 | sing | 0.97Å | 1.00Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| N11 | H16 | sing | 0.97Å | 1.00Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.08Å | 1.08Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N35 | C33 | 122.2° | 120.0° |
| C36 | N35 | H7 | 118.9° | 120.0° |
| N35 | C36 | H8 | 109.5° | 109.5° |
| N35 | C36 | H9 | 109.5° | 109.5° |
| N35 | C36 | H10 | 109.5° | 109.5° |
| O34 | C33 | N35 | 122.5° | 120.0° |
| O34 | C33 | C31 | 119.2° | 120.0° |
| N35 | C33 | C31 | 118.3° | 120.0° |
| C33 | N35 | H7 | 118.9° | 120.0° |
| C33 | C31 | C32 | 120.4° | 119.7° |
| C33 | C31 | N30 | 119.3° | 119.7° |
| C32 | C31 | N30 | 120.3° | 120.6° |
| C31 | C32 | C27 | 119.0° | 119.0° |
| C31 | C32 | H12 | 120.5° | 120.5° |
| C31 | N30 | C29 | 121.6° | 121.8° |
| C32 | C27 | O26 | 120.5° | 120.8° |
| C32 | C27 | C28 | 119.3° | 118.4° |
| C27 | C32 | H12 | 120.5° | 120.5° |
| N30 | C29 | C28 | 120.1° | 121.0° |
| N30 | C29 | H11 | 119.9° | 119.5° |
| O26 | C27 | C28 | 120.1° | 120.8° |
| C27 | O26 | C23 | 121.5° | 118.0° |
| C27 | C28 | C29 | 119.6° | 119.3° |
| C27 | C28 | H6 | 120.2° | 120.4° |
| O26 | C23 | C24 | 119.5° | 120.0° |
| O26 | C23 | C22 | 120.8° | 120.0° |
| C29 | C28 | H6 | 120.2° | 120.3° |
| C28 | C29 | H11 | 120.0° | 119.5° |
| C23 | C24 | C25 | 119.9° | 120.1° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C23 | C24 | H5 | 120.0° | 120.0° |
| C24 | C25 | C20 | 121.5° | 119.9° |
| C25 | C24 | H5 | 120.0° | 119.9° |
| C24 | C25 | H13 | 119.3° | 120.0° |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C23 | C22 | H4 | 119.8° | 120.0° |
| C25 | C20 | C21 | 118.0° | 120.0° |
| C25 | C20 | N19 | 117.1° | 120.0° |
| C20 | C25 | H13 | 119.2° | 120.0° |
| C22 | C21 | C20 | 120.6° | 120.0° |
| C22 | C21 | H3 | 119.7° | 120.0° |
| C21 | C22 | H4 | 119.8° | 120.0° |
| C21 | C20 | N19 | 124.9° | 120.0° |
| C20 | C21 | H3 | 119.7° | 120.0° |
| C20 | N19 | C16 | 127.8° | 120.0° |
| C20 | N19 | H14 | 116.1° | 120.1° |
| N19 | C16 | N15 | 116.3° | 119.1° |
| N19 | C16 | N17 | 120.9° | 119.2° |
| C16 | N19 | H14 | 116.1° | 119.9° |
| N15 | C16 | N17 | 122.8° | 121.7° |
| C16 | N15 | C14 | 121.2° | 120.9° |
| C16 | N17 | C12 | 120.1° | 120.7° |
| N15 | C14 | C13 | 119.2° | 119.2° |
| N15 | C14 | H15 | 120.4° | 120.4° |
| O10 | C8 | C9 | 118.6° | 120.0° |
| O10 | C8 | N7 | 126.1° | 120.0° |
| C37 | C9 | C8 | 113.4° | 109.5° |
| C37 | C9 | H20 | 108.5° | 109.5° |
| C37 | C9 | H21 | 108.5° | 109.5° |
| C9 | C37 | H22 | 109.5° | 109.5° |
| C9 | C37 | H23 | 109.4° | 109.5° |
| C9 | C37 | H24 | 109.5° | 109.5° |
| N17 | C12 | C13 | 117.9° | 119.0° |
| N17 | C12 | N11 | 124.9° | 120.5° |
| C5 | C6 | C1 | 120.6° | 120.2° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | H1 | 119.8° | 119.9° |
| C5 | C6 | H2 | 119.7° | 120.0° |
| C6 | C1 | C2 | 120.5° | 120.0° |
| C1 | C6 | H2 | 119.7° | 119.8° |
| C6 | C1 | H18 | 119.7° | 120.0° |
| C5 | C4 | N7 | 123.6° | 120.0° |
| C5 | C4 | C3 | 117.9° | 119.9° |
| C4 | C5 | H1 | 119.8° | 120.0° |
| C9 | C8 | N7 | 115.3° | 120.0° |
| C8 | C9 | H20 | 108.5° | 109.5° |
| C8 | C9 | H21 | 108.5° | 109.4° |
| C8 | N7 | C4 | 126.6° | 120.0° |
| C8 | N7 | H19 | 116.7° | 119.9° |
| C14 | C13 | C12 | 118.8° | 118.5° |
| C14 | C13 | F18 | 121.3° | 120.8° |
| C13 | C14 | H15 | 120.4° | 120.4° |
| C1 | C2 | C3 | 117.8° | 119.9° |
| C1 | C2 | N11 | 119.3° | 120.1° |
| C2 | C1 | H18 | 119.8° | 119.9° |
| C13 | C12 | N11 | 117.2° | 120.5° |
| C12 | C13 | F18 | 119.9° | 120.8° |
| C12 | N11 | C2 | 120.0° | 120.0° |
| C12 | N11 | H16 | 120.0° | 120.0° |
| N7 | C4 | C3 | 118.4° | 120.0° |
| C4 | N7 | H19 | 116.7° | 120.0° |
| C4 | C3 | C2 | 122.8° | 119.9° |
| C4 | C3 | H17 | 118.6° | 120.0° |
| C3 | C2 | N11 | 121.7° | 120.0° |
| C2 | C3 | H17 | 118.6° | 120.1° |
| C2 | N11 | H16 | 120.0° | 120.0° |
| H8 | C36 | H9 | 109.5° | 109.5° |
| H8 | C36 | H10 | 109.4° | 109.4° |
| H9 | C36 | H10 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H22 | C37 | H24 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N35 | C33 | O34 | 0.5° | 0.0° |
| C36 | N35 | C33 | H7 | 180.0° | 180.0° |
| C36 | N35 | C33 | C31 | 178.8° | 180.0° |
| N35 | C36 | H8 | H9 | 120.0° | 120.0° |
| N35 | C36 | H8 | H10 | 120.0° | 120.0° |
| N35 | C36 | H9 | H10 | 120.0° | 120.0° |
| O34 | C33 | N35 | C31 | 179.3° | 180.0° |
| O34 | C33 | C31 | C32 | 5.0° | 0.0° |
| O34 | C33 | C31 | N30 | 175.5° | 179.8° |
| O34 | C33 | N35 | H7 | 179.5° | 180.0° |
| N35 | C33 | C31 | C32 | 174.3° | 180.0° |
| N35 | C33 | C31 | N30 | 5.2° | 0.3° |
| C33 | N35 | C36 | H8 | 180.0° | 60.0° |
| C33 | N35 | C36 | H9 | 60.0° | 180.0° |
| C33 | N35 | C36 | H10 | 60.0° | 60.0° |
| C33 | C31 | C32 | N30 | 179.5° | 179.7° |
| C33 | C31 | C32 | C27 | 179.7° | 180.0° |
| C33 | C31 | N30 | C29 | 179.7° | 179.9° |
| C31 | C33 | N35 | H7 | 1.2° | 0.0° |
| C33 | C31 | C32 | H12 | 0.3° | 0.2° |
| C31 | C32 | C27 | H12 | 180.0° | 179.8° |
| C32 | C31 | N30 | C29 | 0.1° | 0.2° |
| C31 | C32 | C27 | O26 | 179.9° | 180.0° |
| C31 | C32 | C27 | C28 | 0.2° | 0.1° |
| N30 | C31 | C32 | C27 | 0.2° | 0.2° |
| C31 | N30 | C29 | C28 | 0.1° | 0.1° |
| C31 | N30 | C29 | H11 | 179.9° | 180.0° |
| N30 | C31 | C32 | H12 | 179.8° | 180.0° |
| C32 | C27 | O26 | C28 | 179.7° | 180.0° |
| C32 | C27 | O26 | C23 | 160.5° | 4.4° |
| C32 | C27 | C28 | C29 | 0.1° | 0.3° |
| C32 | C27 | C28 | H6 | 179.9° | 180.0° |
| N30 | C29 | C28 | C27 | 0.0° | 0.4° |
| N30 | C29 | C28 | H11 | 180.0° | 179.9° |
| N30 | C29 | C28 | H6 | 180.0° | 180.0° |
| O26 | C27 | C28 | C29 | 179.8° | 179.7° |
| C27 | O26 | C23 | C24 | 103.4° | 103.4° |
| C27 | O26 | C23 | C22 | 78.8° | 76.9° |
| O26 | C27 | C28 | H6 | 0.2° | 0.0° |
| O26 | C27 | C32 | H12 | 0.2° | 0.2° |
| C28 | C27 | O26 | C23 | 19.8° | 175.5° |
| C27 | C28 | C29 | H6 | 180.0° | 179.6° |
| C27 | C28 | C29 | H11 | 179.9° | 179.8° |
| C28 | C27 | C32 | H12 | 179.8° | 179.8° |
| O26 | C23 | C24 | C22 | 177.8° | 179.7° |
| O26 | C23 | C24 | C25 | 178.4° | 180.0° |
| O26 | C23 | C22 | C21 | 178.6° | 179.7° |
| O26 | C23 | C22 | H4 | 1.4° | 0.3° |
| O26 | C23 | C24 | H5 | 1.6° | 0.0° |
| C23 | C24 | C25 | H5 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 0.2° | 0.6° |
| C24 | C23 | C22 | C21 | 0.9° | 0.0° |
| C24 | C23 | C22 | H4 | 179.1° | 180.0° |
| C23 | C24 | C25 | H13 | 179.8° | 180.0° |
| C25 | C24 | C23 | C22 | 0.6° | 0.3° |
| C24 | C25 | C20 | H13 | 180.0° | 179.4° |
| C24 | C25 | C20 | C21 | 0.0° | 0.6° |
| C24 | C25 | C20 | N19 | 179.6° | 179.7° |
| C23 | C22 | C21 | H4 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C23 | C22 | C21 | H3 | 179.4° | 179.9° |
| C22 | C23 | C24 | H5 | 179.3° | 179.7° |
| C25 | C20 | C21 | C22 | 0.2° | 0.3° |
| C25 | C20 | C21 | N19 | 179.6° | 179.7° |
| C25 | C20 | N19 | C16 | 176.0° | 36.6° |
| C25 | C20 | C21 | H3 | 179.8° | 179.8° |
| C20 | C25 | C24 | H5 | 179.8° | 179.4° |
| C25 | C20 | N19 | H14 | 4.0° | 143.4° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | N19 | 179.4° | 180.0° |
| C21 | C20 | N19 | C16 | 3.6° | 143.7° |
| C20 | C21 | C22 | H4 | 179.3° | 180.0° |
| C21 | C20 | C25 | H13 | 180.0° | 180.0° |
| C21 | C20 | N19 | H14 | 176.4° | 36.3° |
| C20 | N19 | C16 | H14 | 180.0° | 180.0° |
| C20 | N19 | C16 | N15 | 173.4° | 1.2° |
| C20 | N19 | C16 | N17 | 4.6° | 178.6° |
| N19 | C20 | C21 | H3 | 0.6° | 0.1° |
| N19 | C20 | C25 | H13 | 0.4° | 0.3° |
| N19 | C16 | N15 | N17 | 178.0° | 179.8° |
| N19 | C16 | N15 | C14 | 179.9° | 180.0° |
| N19 | C16 | N17 | C12 | 179.5° | 180.0° |
| N15 | C16 | N17 | C12 | 1.6° | 0.2° |
| C16 | N15 | C14 | C13 | 1.4° | 0.0° |
| N15 | C16 | N19 | H14 | 6.6° | 178.8° |
| C16 | N15 | C14 | H15 | 178.6° | 180.0° |
| N17 | C16 | N15 | C14 | 2.0° | 0.2° |
| C16 | N17 | C12 | C13 | 0.7° | 0.1° |
| C16 | N17 | C12 | N11 | 179.1° | 180.0° |
| N17 | C16 | N19 | H14 | 175.4° | 1.4° |
| N15 | C14 | C13 | H15 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 0.5° | 0.3° |
| N15 | C14 | C13 | F18 | 179.6° | 180.0° |
| O10 | C8 | C9 | C37 | 53.1° | 0.0° |
| O10 | C8 | C9 | N7 | 178.6° | 180.0° |
| O10 | C8 | N7 | C4 | 0.9° | 5.0° |
| O10 | C8 | N7 | H19 | 179.1° | 175.0° |
| O10 | C8 | C9 | H20 | 67.5° | 120.0° |
| O10 | C8 | C9 | H21 | 173.7° | 120.0° |
| C37 | C9 | C8 | H20 | 120.6° | 120.0° |
| C37 | C9 | C8 | H21 | 120.6° | 120.0° |
| C37 | C9 | C8 | N7 | 128.4° | 180.0° |
| C37 | C9 | H20 | H21 | 118.2° | 120.0° |
| C9 | C37 | H22 | H23 | 120.0° | 120.0° |
| C9 | C37 | H22 | H24 | 120.0° | 120.0° |
| C9 | C37 | H23 | H24 | 120.0° | 120.0° |
| N17 | C12 | C13 | C14 | 0.2° | 0.3° |
| N17 | C12 | C13 | N11 | 179.8° | 179.9° |
| N17 | C12 | C13 | F18 | 179.3° | 180.0° |
| N17 | C12 | N11 | C2 | 7.4° | 5.1° |
| N17 | C12 | N11 | H16 | 172.7° | 174.9° |
| C5 | C6 | C1 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 2.1° | 0.3° |
| C6 | C5 | C4 | N7 | 176.9° | 180.0° |
| C6 | C5 | C4 | C3 | 1.2° | 0.3° |
| C5 | C6 | C1 | H18 | 177.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.9° | 0.0° |
| C6 | C1 | C2 | H18 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 3.6° | 0.3° |
| C6 | C1 | C2 | N11 | 171.4° | 179.7° |
| C1 | C6 | C5 | H1 | 179.1° | 180.0° |
| C5 | C4 | N7 | C8 | 16.2° | 148.9° |
| C5 | C4 | N7 | C3 | 175.6° | 179.7° |
| C5 | C4 | C3 | C2 | 2.9° | 0.3° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C5 | C4 | C3 | H17 | 177.1° | 179.7° |
| C5 | C4 | N7 | H19 | 163.8° | 31.0° |
| C9 | C8 | N7 | C4 | 179.3° | 175.1° |
| C9 | C8 | N7 | H19 | 0.7° | 5.0° |
| C8 | C9 | H20 | H21 | 118.2° | 120.0° |
| C8 | C9 | C37 | H22 | 180.0° | 180.0° |
| C8 | C9 | C37 | H23 | 60.0° | 60.0° |
| C8 | C9 | C37 | H24 | 60.0° | 60.0° |
| C8 | N7 | C4 | H19 | 180.0° | 179.9° |
| C8 | N7 | C4 | C3 | 159.5° | 30.8° |
| N7 | C8 | C9 | H20 | 111.1° | 60.0° |
| N7 | C8 | C9 | H21 | 7.8° | 60.0° |
| C14 | C13 | C12 | F18 | 179.0° | 179.7° |
| C14 | C13 | C12 | N11 | 179.6° | 179.8° |
| C1 | C2 | N11 | C12 | 56.5° | 33.3° |
| C1 | C2 | C3 | C4 | 4.0° | 0.0° |
| C1 | C2 | C3 | N11 | 167.5° | 180.0° |
| C2 | C1 | C6 | H2 | 177.9° | 179.7° |
| C1 | C2 | N11 | H16 | 123.5° | 146.7° |
| C1 | C2 | C3 | H17 | 176.0° | 180.0° |
| C13 | C12 | N11 | C2 | 172.8° | 174.7° |
| C12 | C13 | C14 | H15 | 179.5° | 179.7° |
| C13 | C12 | N11 | H16 | 7.1° | 5.2° |
| N11 | C12 | C13 | F18 | 0.6° | 0.1° |
| C12 | N11 | C2 | C3 | 110.8° | 146.7° |
| C12 | N11 | C2 | H16 | 180.0° | 179.9° |
| N7 | C4 | C3 | C2 | 178.8° | 180.0° |
| N7 | C4 | C5 | H1 | 3.1° | 0.0° |
| N7 | C4 | C3 | H17 | 1.2° | 0.0° |
| C4 | C3 | C2 | H17 | 180.0° | 180.0° |
| C4 | C3 | C2 | N11 | 171.5° | 180.0° |
| C3 | C4 | C5 | H1 | 178.8° | 179.7° |
| C3 | C4 | N7 | H19 | 20.5° | 149.2° |
| F18 | C13 | C14 | H15 | 0.4° | 0.0° |
| C3 | C2 | N11 | H16 | 69.2° | 33.3° |
| C3 | C2 | C1 | H18 | 176.4° | 179.9° |
| N11 | C2 | C3 | H17 | 8.4° | 0.0° |
| N11 | C2 | C1 | H18 | 8.6° | 0.1° |
| H1 | C5 | C6 | H2 | 0.9° | 0.0° |
| H2 | C6 | C1 | H18 | 2.1° | 0.1° |
| H3 | C21 | C22 | H4 | 0.7° | 0.0° |
| H5 | C24 | C25 | H13 | 0.2° | 0.0° |
| H6 | C28 | C29 | H11 | 0.0° | 0.1° |
| H7 | N35 | C36 | H8 | 0.0° | 120.0° |
| H7 | N35 | C36 | H9 | 120.0° | 0.0° |
| H7 | N35 | C36 | H10 | 120.0° | 120.0° |
| H8 | C36 | H9 | H10 | 120.0° | 119.9° |
| H20 | C9 | C37 | H22 | 59.4° | 60.0° |
| H20 | C9 | C37 | H23 | 60.6° | 180.0° |
| H20 | C9 | C37 | H24 | 179.5° | 60.0° |
| H21 | C9 | C37 | H22 | 59.4° | 60.0° |
| H21 | C9 | C37 | H23 | 179.4° | 60.0° |
| H21 | C9 | C37 | H24 | 60.6° | 180.0° |
| H22 | C37 | H23 | H24 | 120.0° | 120.0° |
