8M7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N3 | sing | 1.40Å | 1.43Å | |
| N3 | C11 | sing | 1.35Å | 1.36Å | |
| O7 | C11 | doub | 1.22Å | 1.21Å | |
| C11 | O6 | sing | 1.35Å | 1.41Å | |
| O6 | N2 | sing | 1.22Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.46Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C10 | doub | 1.29Å | 1.29Å | |
| O1 | C4 | doub | 1.21Å | 1.23Å | |
| C10 | O5 | sing | 1.36Å | 1.44Å | |
| C10 | C5 | sing | 1.51Å | 1.54Å | |
| C3 | C18 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| O5 | C8 | sing | 1.43Å | 1.44Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| O4 | C9 | sing | 1.43Å | 1.38Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | O2 | sing | 1.43Å | 1.40Å | |
| C7 | O3 | sing | 1.43Å | 1.39Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| O4 | H41 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 120.0° | 120.1° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | H161 | 120.1° | 119.9° |
| C15 | C14 | C13 | 120.1° | 120.1° |
| C15 | C14 | H141 | 119.9° | 119.9° |
| C14 | C15 | H151 | 120.0° | 119.9° |
| C16 | C17 | C12 | 120.7° | 119.9° |
| C17 | C16 | H161 | 120.1° | 119.9° |
| C16 | C17 | H171 | 119.6° | 120.1° |
| C14 | C13 | C12 | 120.4° | 119.9° |
| C14 | C13 | H131 | 119.8° | 120.1° |
| C13 | C14 | H141 | 119.9° | 120.0° |
| C17 | C12 | C13 | 118.9° | 119.9° |
| C17 | C12 | N3 | 123.6° | 120.1° |
| C12 | C17 | H171 | 119.6° | 120.0° |
| C13 | C12 | N3 | 117.5° | 120.1° |
| C12 | C13 | H131 | 119.8° | 120.0° |
| C12 | N3 | C11 | 124.0° | 120.0° |
| C12 | N3 | H32 | 118.0° | 120.0° |
| N3 | C11 | O7 | 122.9° | 120.0° |
| N3 | C11 | O6 | 118.6° | 120.0° |
| C11 | N3 | H32 | 118.0° | 120.0° |
| O7 | C11 | O6 | 118.5° | 120.1° |
| C11 | O6 | N2 | 118.8° | 117.0° |
| O6 | N2 | C10 | 119.7° | 120.0° |
| C2 | C1 | C3 | 109.7° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.4° |
| C1 | C2 | H21 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.4° |
| C1 | C3 | C18 | 109.0° | 109.4° |
| C1 | C3 | C4 | 107.8° | 109.5° |
| C3 | C1 | H12 | 109.4° | 109.5° |
| C3 | C1 | H11 | 109.4° | 109.4° |
| C1 | C3 | H31 | 109.7° | 109.5° |
| N2 | C10 | O5 | 121.4° | 121.0° |
| N2 | C10 | C5 | 120.2° | 121.0° |
| O1 | C4 | C3 | 121.2° | 120.0° |
| O1 | C4 | N1 | 121.0° | 120.0° |
| O5 | C10 | C5 | 118.3° | 118.0° |
| C10 | O5 | C8 | 123.2° | 115.7° |
| C10 | C5 | N1 | 108.2° | 109.7° |
| C10 | C5 | C6 | 111.8° | 108.3° |
| C10 | C5 | H51 | 107.6° | 109.7° |
| C18 | C3 | C4 | 110.8° | 109.5° |
| C3 | C18 | C19 | 110.9° | 109.5° |
| C18 | C3 | H31 | 109.9° | 109.4° |
| C3 | C18 | H182 | 109.1° | 109.5° |
| C3 | C18 | H181 | 109.1° | 109.5° |
| C3 | C4 | N1 | 117.8° | 120.0° |
| C4 | C3 | H31 | 109.6° | 109.5° |
| C19 | C18 | H182 | 109.1° | 109.5° |
| C19 | C18 | H181 | 109.1° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.4° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C4 | N1 | C5 | 120.0° | 120.0° |
| C4 | N1 | H13 | 120.0° | 120.0° |
| O5 | C8 | C9 | 109.3° | 109.5° |
| O5 | C8 | C7 | 111.6° | 109.3° |
| O5 | C8 | H81 | 107.6° | 109.5° |
| N1 | C5 | C6 | 112.9° | 109.7° |
| N1 | C5 | H51 | 108.5° | 109.7° |
| C5 | N1 | H13 | 120.0° | 120.0° |
| C5 | C6 | C7 | 108.6° | 108.9° |
| C5 | C6 | O2 | 110.5° | 109.5° |
| C6 | C5 | H51 | 107.7° | 109.7° |
| C5 | C6 | H61 | 108.5° | 109.6° |
| O4 | C9 | C8 | 110.8° | 109.5° |
| O4 | C9 | H92 | 109.1° | 109.5° |
| O4 | C9 | H91 | 109.1° | 109.5° |
| C9 | O4 | H41 | 109.5° | 114.0° |
| C9 | C8 | C7 | 114.6° | 109.5° |
| C9 | C8 | H81 | 106.9° | 109.5° |
| C8 | C9 | H92 | 109.1° | 109.5° |
| C8 | C9 | H91 | 109.2° | 109.5° |
| C8 | C7 | C6 | 109.6° | 109.4° |
| C8 | C7 | O3 | 110.1° | 109.5° |
| C8 | C7 | H71 | 107.8° | 109.5° |
| C7 | C8 | H81 | 106.5° | 109.5° |
| C7 | C6 | O2 | 110.1° | 109.6° |
| C6 | C7 | O3 | 111.8° | 109.5° |
| C7 | C6 | H61 | 108.6° | 109.6° |
| C6 | C7 | H71 | 107.7° | 109.5° |
| O2 | C6 | H61 | 110.5° | 109.7° |
| C6 | O2 | H25 | 109.5° | 113.9° |
| O3 | C7 | H71 | 109.7° | 109.5° |
| C7 | O3 | H33 | 109.5° | 114.0° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H22 | C2 | H21 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.4° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.6° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C16 | C17 | C12 | 0.3° | 0.6° |
| C16 | C15 | C14 | H141 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | H131 | 180.0° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 180.0° |
| C16 | C17 | C12 | H171 | 180.0° | 179.4° |
| C16 | C17 | C12 | C13 | 0.3° | 0.5° |
| C16 | C17 | C12 | N3 | 179.8° | 179.6° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| C14 | C13 | C12 | C17 | 0.1° | 0.2° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | N3 | 179.6° | 180.0° |
| C13 | C14 | C15 | H151 | 180.0° | 179.7° |
| C17 | C12 | C13 | N3 | 179.5° | 179.8° |
| C17 | C12 | N3 | C11 | 14.0° | 145.7° |
| C17 | C12 | N3 | H32 | 166.0° | 34.4° |
| C17 | C12 | C13 | H131 | 179.9° | 179.8° |
| C12 | C17 | C16 | H161 | 179.7° | 179.8° |
| C13 | C12 | N3 | C11 | 166.6° | 34.5° |
| C13 | C12 | N3 | H32 | 13.5° | 145.4° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C13 | C12 | C17 | H171 | 179.7° | 180.0° |
| C12 | N3 | C11 | H32 | 180.0° | 179.9° |
| C12 | N3 | C11 | O7 | 8.7° | 5.7° |
| C12 | N3 | C11 | O6 | 171.4° | 174.4° |
| N3 | C12 | C13 | H131 | 0.4° | 0.1° |
| N3 | C12 | C17 | H171 | 0.2° | 0.2° |
| N3 | C11 | O7 | O6 | 179.9° | 179.9° |
| N3 | C11 | O6 | N2 | 173.8° | 180.0° |
| O7 | C11 | O6 | N2 | 6.3° | 0.1° |
| O7 | C11 | N3 | H32 | 171.3° | 174.4° |
| C11 | O6 | N2 | C10 | 175.5° | 180.0° |
| O6 | C11 | N3 | H32 | 8.6° | 5.5° |
| O6 | N2 | C10 | O5 | 1.4° | 0.1° |
| O6 | N2 | C10 | C5 | 178.0° | 180.0° |
| C2 | C1 | C3 | H12 | 120.0° | 120.0° |
| C2 | C1 | C3 | H11 | 120.0° | 120.0° |
| C2 | C1 | C3 | C18 | 150.9° | 64.9° |
| C2 | C1 | C3 | C4 | 88.7° | 55.1° |
| C2 | C1 | H12 | H11 | 119.9° | 120.0° |
| C1 | C2 | H22 | H21 | 120.0° | 120.0° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C1 | C2 | H21 | H23 | 120.0° | 120.0° |
| C2 | C1 | C3 | H31 | 30.6° | 175.2° |
| C1 | C3 | C4 | O1 | 92.5° | 124.4° |
| C1 | C3 | C18 | C4 | 118.5° | 120.0° |
| C1 | C3 | C18 | H31 | 120.2° | 120.0° |
| C1 | C3 | C4 | H31 | 119.4° | 120.0° |
| C1 | C3 | C18 | C19 | 111.8° | 65.0° |
| C1 | C3 | C4 | N1 | 87.4° | 55.6° |
| C3 | C1 | H12 | H11 | 119.9° | 120.0° |
| C3 | C1 | C2 | H22 | 180.0° | 55.0° |
| C3 | C1 | C2 | H21 | 60.0° | 175.0° |
| C3 | C1 | C2 | H23 | 60.0° | 65.0° |
| C1 | C3 | C18 | H182 | 8.4° | 175.0° |
| C1 | C3 | C18 | H181 | 127.9° | 55.0° |
| N2 | C10 | O5 | C5 | 176.7° | 179.9° |
| N2 | C10 | O5 | C8 | 154.7° | 129.1° |
| N2 | C10 | C5 | N1 | 55.8° | 11.4° |
| N2 | C10 | C5 | C6 | 179.3° | 131.1° |
| N2 | C10 | C5 | H51 | 61.3° | 109.1° |
| O1 | C4 | C3 | C18 | 26.7° | 4.5° |
| O1 | C4 | C3 | N1 | 179.9° | 179.9° |
| O1 | C4 | N1 | C5 | 0.2° | 5.1° |
| O1 | C4 | C3 | H31 | 148.1° | 115.5° |
| O1 | C4 | N1 | H13 | 179.8° | 175.0° |
| O5 | C10 | C5 | N1 | 121.0° | 168.5° |
| O5 | C10 | C5 | C6 | 4.0° | 48.8° |
| C10 | O5 | C8 | C9 | 125.7° | 173.7° |
| C10 | O5 | C8 | C7 | 2.2° | 53.8° |
| O5 | C10 | C5 | H51 | 122.0° | 71.0° |
| C10 | O5 | C8 | H81 | 118.6° | 66.2° |
| C10 | C5 | N1 | C4 | 123.5° | 86.2° |
| C5 | C10 | O5 | C8 | 28.6° | 50.8° |
| C10 | C5 | N1 | C6 | 124.3° | 118.8° |
| C10 | C5 | N1 | H51 | 116.4° | 120.6° |
| C10 | C5 | C6 | H51 | 117.9° | 119.7° |
| C10 | C5 | C6 | C7 | 41.8° | 52.1° |
| C10 | C5 | C6 | O2 | 162.7° | 171.9° |
| C10 | C5 | C6 | H61 | 76.0° | 67.7° |
| C10 | C5 | N1 | H13 | 56.5° | 93.9° |
| C18 | C3 | C4 | H31 | 121.4° | 120.0° |
| C3 | C18 | C19 | H182 | 120.2° | 120.0° |
| C3 | C18 | C19 | H181 | 120.3° | 120.0° |
| C18 | C3 | C4 | N1 | 153.4° | 175.6° |
| C18 | C3 | C1 | H12 | 30.9° | 55.2° |
| C18 | C3 | C1 | H11 | 89.0° | 175.2° |
| C3 | C18 | H182 | H181 | 119.4° | 120.0° |
| C3 | C18 | C19 | H192 | 180.0° | 60.0° |
| C3 | C18 | C19 | H193 | 60.0° | 180.0° |
| C3 | C18 | C19 | H191 | 60.0° | 60.0° |
| C4 | C3 | C18 | C19 | 129.7° | 175.0° |
| C3 | C4 | N1 | C5 | 179.7° | 175.0° |
| C4 | C3 | C1 | H12 | 151.2° | 175.2° |
| C4 | C3 | C1 | H11 | 31.3° | 64.8° |
| C3 | C4 | N1 | H13 | 0.3° | 5.0° |
| C4 | C3 | C18 | H182 | 110.1° | 55.0° |
| C4 | C3 | C18 | H181 | 9.5° | 65.0° |
| C19 | C18 | C3 | H31 | 8.4° | 55.0° |
| C19 | C18 | H182 | H181 | 119.3° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H191 | 120.0° | 120.0° |
| C18 | C19 | H193 | H191 | 120.0° | 120.0° |
| C4 | N1 | C5 | H13 | 180.0° | 180.0° |
| C4 | N1 | C5 | C6 | 112.2° | 155.0° |
| N1 | C4 | C3 | H31 | 32.0° | 64.4° |
| C4 | N1 | C5 | H51 | 7.1° | 34.4° |
| O5 | C8 | C9 | O4 | 78.0° | 65.2° |
| O5 | C8 | C9 | C7 | 126.1° | 119.8° |
| O5 | C8 | C9 | H81 | 116.2° | 120.0° |
| O5 | C8 | C7 | H81 | 117.2° | 119.9° |
| O5 | C8 | C7 | C6 | 46.0° | 58.6° |
| O5 | C8 | C7 | O3 | 169.3° | 178.6° |
| O5 | C8 | C7 | H71 | 71.0° | 61.4° |
| O5 | C8 | C9 | H92 | 161.8° | 174.8° |
| O5 | C8 | C9 | H91 | 42.2° | 54.8° |
| N1 | C5 | C6 | H51 | 119.8° | 120.6° |
| N1 | C5 | C6 | C7 | 164.1° | 171.8° |
| N1 | C5 | C6 | O2 | 75.0° | 68.3° |
| N1 | C5 | C6 | H61 | 46.3° | 52.0° |
| C5 | C6 | C7 | C8 | 68.8° | 59.8° |
| C5 | C6 | C7 | O2 | 121.1° | 119.8° |
| C5 | C6 | C7 | H61 | 117.8° | 119.9° |
| C5 | C6 | O2 | H61 | 120.2° | 120.3° |
| C5 | C6 | C7 | O3 | 168.9° | 179.8° |
| C5 | C6 | C7 | H71 | 48.3° | 60.2° |
| C5 | C6 | O2 | H25 | 180.0° | 180.0° |
| C6 | C5 | N1 | H13 | 67.8° | 25.0° |
| O4 | C9 | C8 | H92 | 120.2° | 120.0° |
| O4 | C9 | C8 | H91 | 120.2° | 120.0° |
| O4 | C9 | C8 | C7 | 48.1° | 175.0° |
| O4 | C9 | C8 | H81 | 165.8° | 54.9° |
| O4 | C9 | H92 | H91 | 119.4° | 120.0° |
| C9 | C8 | C7 | H81 | 117.9° | 120.1° |
| C9 | C8 | C7 | C6 | 170.9° | 178.6° |
| C9 | C8 | C7 | O3 | 65.8° | 61.4° |
| C9 | C8 | C7 | H71 | 53.9° | 58.6° |
| C8 | C9 | H92 | H91 | 119.4° | 120.0° |
| C8 | C9 | O4 | H41 | 180.0° | 180.0° |
| C8 | C7 | C6 | O3 | 122.3° | 120.0° |
| C8 | C7 | C6 | H71 | 117.0° | 119.9° |
| C8 | C7 | C6 | O2 | 170.1° | 179.5° |
| C8 | C7 | O3 | H71 | 118.5° | 120.0° |
| C8 | C7 | C6 | H61 | 49.1° | 60.1° |
| C7 | C8 | C9 | H92 | 72.1° | 55.0° |
| C7 | C8 | C9 | H91 | 168.3° | 65.0° |
| C8 | C7 | O3 | H33 | 180.0° | 60.1° |
| C7 | C6 | O2 | H61 | 119.9° | 120.3° |
| C6 | C7 | O3 | H71 | 119.5° | 120.0° |
| C7 | C6 | C5 | H51 | 76.1° | 67.6° |
| C6 | C7 | C8 | H81 | 71.2° | 61.4° |
| C7 | C6 | O2 | H25 | 60.0° | 60.6° |
| C6 | C7 | O3 | H33 | 58.0° | 180.0° |
| O2 | C6 | C7 | O3 | 47.7° | 60.5° |
| O2 | C6 | C5 | H51 | 44.7° | 52.2° |
| O2 | C6 | C7 | H71 | 72.9° | 59.6° |
| O3 | C7 | C6 | H61 | 73.3° | 59.9° |
| O3 | C7 | C8 | H81 | 52.1° | 58.6° |
| H12 | C1 | C2 | H22 | 60.0° | 175.0° |
| H12 | C1 | C2 | H21 | 60.0° | 64.9° |
| H12 | C1 | C2 | H23 | 180.0° | 55.1° |
| H12 | C1 | C3 | H31 | 89.4° | 64.8° |
| H11 | C1 | C2 | H22 | 60.0° | 65.0° |
| H11 | C1 | C2 | H21 | 180.0° | 55.0° |
| H11 | C1 | C2 | H23 | 60.1° | 175.0° |
| H11 | C1 | C3 | H31 | 150.6° | 55.2° |
| H22 | C2 | H21 | H23 | 120.0° | 120.0° |
| H31 | C3 | C18 | H182 | 128.6° | 65.0° |
| H31 | C3 | C18 | H181 | 111.9° | 175.0° |
| H51 | C5 | C6 | H61 | 166.0° | 172.6° |
| H51 | C5 | N1 | H13 | 172.9° | 145.6° |
| H61 | C6 | C7 | H71 | 166.1° | 180.0° |
| H61 | C6 | O2 | H25 | 59.9° | 59.7° |
| H71 | C7 | C8 | H81 | 171.8° | 178.7° |
| H71 | C7 | O3 | H33 | 61.5° | 60.0° |
| H81 | C8 | C9 | H92 | 45.6° | 65.1° |
| H81 | C8 | C9 | H91 | 74.0° | 174.9° |
| H92 | C9 | O4 | H41 | 59.8° | 60.0° |
| H91 | C9 | O4 | H41 | 59.8° | 60.0° |
| H131 | C13 | C14 | H141 | 0.0° | 0.0° |
| H141 | C14 | C15 | H151 | 0.0° | 0.3° |
| H151 | C15 | C16 | H161 | 0.2° | 0.3° |
| H161 | C16 | C17 | H171 | 0.4° | 0.3° |
| H182 | C18 | C19 | H192 | 59.8° | 60.0° |
| H182 | C18 | C19 | H193 | 179.8° | 60.0° |
| H182 | C18 | C19 | H191 | 60.3° | 180.0° |
| H181 | C18 | C19 | H192 | 59.7° | 180.0° |
| H181 | C18 | C19 | H193 | 60.3° | 60.0° |
| H181 | C18 | C19 | H191 | 179.8° | 60.0° |
| H192 | C19 | H193 | H191 | 120.0° | 120.1° |
