7LI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| N | C8 | sing | 1.39Å | 1.43Å | |
| N | C9 | sing | 1.47Å | 1.47Å | |
| N | C13 | sing | 1.47Å | 1.47Å | |
| O | C1 | sing | 1.43Å | 1.45Å | |
| O | C3 | sing | 1.36Å | 1.38Å | |
| S | C15 | sing | 1.77Å | 1.74Å | |
| S | C17 | sing | 1.77Å | 1.77Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| N1 | C12 | sing | 1.47Å | 1.48Å | |
| O1 | C16 | doub | 1.22Å | 1.23Å | |
| N2 | C16 | sing | 1.32Å | 1.38Å | |
| N2 | C17 | sing | 1.34Å | 1.36Å | |
| O2 | C17 | doub | 1.22Å | 1.21Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | doub | 1.36Å | 1.34Å | |
| C15 | C16 | sing | 1.47Å | 1.48Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 104.6° | 109.5° |
| C | C1 | C2 | 112.7° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | HA | 109.4° | 109.5° |
| C1 | C | HB | 109.5° | 109.4° |
| C | C1 | H1 | 110.8° | 109.5° |
| C8 | N | C9 | 120.3° | 111.0° |
| C8 | N | C13 | 120.8° | 111.0° |
| N | C8 | C3 | 120.1° | 120.2° |
| N | C8 | C7 | 120.6° | 120.2° |
| C9 | N | C13 | 115.3° | 111.2° |
| N | C9 | C10 | 115.2° | 109.6° |
| N | C9 | H9 | 108.0° | 109.5° |
| N | C9 | H9A | 108.1° | 109.5° |
| N | C13 | C12 | 112.5° | 109.5° |
| N | C13 | H13 | 108.7° | 109.5° |
| N | C13 | H13A | 108.7° | 109.4° |
| C1 | O | C3 | 122.2° | 117.0° |
| O | C1 | C2 | 106.5° | 109.5° |
| O | C1 | H1 | 111.3° | 109.5° |
| O | C3 | C4 | 124.1° | 120.0° |
| O | C3 | C8 | 115.2° | 120.0° |
| C15 | S | C17 | 92.3° | 94.6° |
| S | C15 | C14 | 128.8° | 128.0° |
| S | C15 | C16 | 110.2° | 104.1° |
| S | C17 | N2 | 109.8° | 106.9° |
| S | C17 | O2 | 124.3° | 126.6° |
| C2 | C1 | H1 | 110.7° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| C1 | C2 | H2B | 109.5° | 109.5° |
| N1 | C12 | C11 | 110.4° | 109.5° |
| N1 | C12 | C13 | 108.3° | 109.5° |
| C12 | N1 | HN1 | 109.5° | 111.0° |
| C12 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C12 | H12 | 108.9° | 109.5° |
| O1 | C16 | N2 | 124.0° | 122.5° |
| O1 | C16 | C15 | 125.9° | 122.5° |
| C16 | N2 | C17 | 117.6° | 119.5° |
| N2 | C16 | C15 | 110.1° | 115.0° |
| C16 | N2 | HN2 | 121.2° | 120.2° |
| N2 | C17 | O2 | 125.9° | 126.5° |
| C17 | N2 | HN2 | 121.2° | 120.3° |
| C4 | C3 | C8 | 120.7° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.4° |
| C3 | C4 | H4 | 120.1° | 119.8° |
| C3 | C8 | C7 | 119.3° | 119.6° |
| C4 | C5 | C6 | 120.1° | 120.4° |
| C5 | C4 | H4 | 120.1° | 119.7° |
| C4 | C5 | H5 | 119.9° | 119.8° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.8° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | C8 | 119.0° | 119.6° |
| C6 | C7 | C14 | 121.2° | 120.2° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C8 | C7 | C14 | 119.0° | 120.2° |
| C7 | C14 | C15 | 130.9° | 120.0° |
| C7 | C14 | H14 | 114.5° | 120.0° |
| C9 | C10 | C11 | 110.6° | 109.2° |
| C10 | C9 | H9 | 108.0° | 109.4° |
| C10 | C9 | H9A | 108.0° | 109.5° |
| C9 | C10 | H10 | 109.2° | 109.5° |
| C9 | C10 | H10A | 109.2° | 109.5° |
| C10 | C11 | C12 | 109.7° | 109.1° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C11 | C10 | H10A | 109.2° | 109.5° |
| C10 | C11 | H11 | 109.4° | 109.5° |
| C10 | C11 | H11A | 109.4° | 109.5° |
| C11 | C12 | C13 | 112.4° | 109.3° |
| C12 | C11 | H11 | 109.4° | 109.5° |
| C12 | C11 | H11A | 109.4° | 109.6° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.6° |
| C12 | C13 | H13 | 108.7° | 109.5° |
| C12 | C13 | H13A | 108.7° | 109.4° |
| C14 | C15 | C16 | 120.3° | 128.0° |
| C15 | C14 | H14 | 114.5° | 120.0° |
| H | C | HA | 109.4° | 109.5° |
| H | C | HB | 109.4° | 109.5° |
| HA | C | HB | 109.5° | 109.5° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H2 | C2 | H2B | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.6° |
| H11 | C11 | H11A | 109.5° | 109.6° |
| H13 | C13 | H13A | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | C2 | 119.6° | 120.0° |
| C | C1 | O | H1 | 119.7° | 120.0° |
| C | C1 | O | C3 | 97.6° | 84.2° |
| C | C1 | C2 | H1 | 124.7° | 120.0° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.0° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| C | C1 | C2 | H2 | 180.0° | 60.0° |
| C | C1 | C2 | H2A | 60.0° | 180.0° |
| C | C1 | C2 | H2B | 60.0° | 60.0° |
| C8 | N | C9 | C13 | 158.9° | 124.1° |
| N | C8 | C3 | O | 0.6° | 0.0° |
| N | C8 | C3 | C4 | 179.7° | 179.8° |
| N | C8 | C3 | C7 | 178.4° | 179.7° |
| N | C8 | C7 | C6 | 178.8° | 179.8° |
| N | C8 | C7 | C14 | 8.3° | 0.0° |
| C8 | N | C9 | C10 | 155.0° | 174.2° |
| C8 | N | C13 | C12 | 155.1° | 174.2° |
| C8 | N | C9 | H9 | 34.2° | 54.2° |
| C8 | N | C9 | H9A | 84.2° | 65.8° |
| C8 | N | C13 | H13 | 84.4° | 65.8° |
| C8 | N | C13 | H13A | 34.6° | 54.2° |
| C9 | N | C8 | C3 | 85.3° | 64.0° |
| C9 | N | C8 | C7 | 96.3° | 116.3° |
| N | C9 | C10 | H9 | 120.8° | 120.0° |
| N | C9 | C10 | H9A | 120.9° | 120.1° |
| N | C9 | C10 | C11 | 50.0° | 59.2° |
| C9 | N | C13 | C12 | 46.1° | 61.8° |
| N | C9 | H9 | H9A | 117.4° | 120.0° |
| N | C9 | C10 | H10 | 70.2° | 60.7° |
| N | C9 | C10 | H10A | 170.2° | 179.1° |
| C9 | N | C13 | H13 | 74.3° | 58.3° |
| C9 | N | C13 | H13A | 166.6° | 178.3° |
| N | C13 | C12 | N1 | 174.4° | 179.1° |
| C13 | N | C8 | C3 | 72.4° | 60.2° |
| C13 | N | C8 | C7 | 106.0° | 119.5° |
| C13 | N | C9 | C10 | 46.1° | 61.8° |
| N | C13 | C12 | C11 | 52.2° | 59.2° |
| N | C13 | C12 | H13 | 120.5° | 120.0° |
| N | C13 | C12 | H13A | 120.5° | 120.0° |
| C13 | N | C9 | H9 | 166.9° | 178.2° |
| C13 | N | C9 | H9A | 74.7° | 58.3° |
| N | C13 | C12 | H12 | 67.6° | 60.8° |
| N | C13 | H13 | H13A | 118.6° | 120.0° |
| O | C1 | C2 | H1 | 121.1° | 120.0° |
| C1 | O | C3 | C4 | 1.5° | 4.8° |
| C1 | O | C3 | C8 | 179.4° | 175.4° |
| O | C1 | C | H | 180.0° | 180.0° |
| O | C1 | C | HA | 60.0° | 60.0° |
| O | C1 | C | HB | 60.0° | 60.0° |
| O | C1 | C2 | H2 | 65.9° | 180.0° |
| O | C1 | C2 | H2A | 54.1° | 60.0° |
| O | C1 | C2 | H2B | 174.1° | 60.0° |
| C3 | O | C1 | C2 | 142.8° | 155.8° |
| O | C3 | C4 | C8 | 179.1° | 179.8° |
| O | C3 | C4 | C5 | 177.8° | 180.0° |
| O | C3 | C8 | C7 | 177.8° | 179.7° |
| C3 | O | C1 | H1 | 22.1° | 35.8° |
| O | C3 | C4 | H4 | 2.2° | 0.0° |
| S | C15 | C16 | O1 | 178.6° | 180.0° |
| S | C15 | C16 | N2 | 1.8° | 0.0° |
| C15 | S | C17 | N2 | 1.1° | 0.0° |
| C15 | S | C17 | O2 | 176.1° | 179.9° |
| S | C15 | C14 | C7 | 8.0° | 9.2° |
| S | C15 | C14 | C16 | 169.5° | 180.0° |
| S | C15 | C14 | H14 | 172.0° | 170.8° |
| S | C17 | N2 | C16 | 0.2° | 0.0° |
| S | C17 | N2 | O2 | 177.1° | 179.9° |
| C17 | S | C15 | C14 | 168.7° | 180.0° |
| C17 | S | C15 | C16 | 1.6° | 0.0° |
| S | C17 | N2 | HN2 | 179.8° | 180.0° |
| C2 | C1 | C | H | 64.7° | 60.0° |
| C2 | C1 | C | HA | 55.2° | 60.0° |
| C2 | C1 | C | HB | 175.3° | 180.0° |
| C1 | C2 | H2 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2B | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 120.0° | 120.0° |
| N1 | C12 | C11 | C10 | 177.9° | 177.7° |
| N1 | C12 | C11 | C13 | 121.0° | 119.9° |
| N1 | C12 | C11 | H12 | 119.2° | 120.0° |
| N1 | C12 | C13 | H12 | 118.1° | 120.1° |
| C12 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| N1 | C12 | C11 | H11 | 62.1° | 62.5° |
| N1 | C12 | C11 | H11A | 57.8° | 57.7° |
| N1 | C12 | C13 | H13 | 53.9° | 59.1° |
| N1 | C12 | C13 | H13A | 65.1° | 60.9° |
| O1 | C16 | N2 | C15 | 179.6° | 179.9° |
| O1 | C16 | N2 | C17 | 179.3° | 180.0° |
| O1 | C16 | C15 | C14 | 10.1° | 0.0° |
| O1 | C16 | N2 | HN2 | 0.7° | 0.1° |
| C16 | N2 | C17 | HN2 | 180.0° | 179.9° |
| C16 | N2 | C17 | O2 | 176.9° | 179.9° |
| N2 | C16 | C15 | C14 | 169.5° | 179.9° |
| C17 | N2 | C16 | C15 | 1.1° | 0.0° |
| O2 | C17 | N2 | HN2 | 3.1° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C8 | C7 | 1.3° | 0.5° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C8 | C3 | C4 | C5 | 1.2° | 0.2° |
| C3 | C8 | C7 | C6 | 0.4° | 0.5° |
| C3 | C8 | C7 | C14 | 170.1° | 179.7° |
| C8 | C3 | C4 | H4 | 178.8° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C4 | C5 | C6 | H6 | 179.2° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.3° |
| C5 | C6 | C7 | C14 | 171.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C6 | C7 | C8 | C14 | 170.5° | 179.8° |
| C6 | C7 | C14 | C15 | 17.8° | 18.8° |
| C7 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | C7 | C14 | H14 | 162.2° | 161.2° |
| C8 | C7 | C14 | C15 | 152.4° | 160.9° |
| C8 | C7 | C6 | H6 | 179.3° | 179.8° |
| C8 | C7 | C14 | H14 | 27.6° | 19.1° |
| C7 | C14 | C15 | H14 | 180.0° | 180.0° |
| C7 | C14 | C15 | C16 | 177.5° | 170.7° |
| C14 | C7 | C6 | H6 | 9.0° | 0.0° |
| C9 | C10 | C11 | H10 | 120.2° | 119.9° |
| C9 | C10 | C11 | H10A | 120.1° | 119.9° |
| C9 | C10 | C11 | C12 | 54.6° | 57.7° |
| C10 | C9 | H9 | H9A | 117.4° | 120.0° |
| C9 | C10 | H10 | H10A | 119.5° | 120.1° |
| C9 | C10 | C11 | H11 | 174.6° | 177.5° |
| C9 | C10 | C11 | H11A | 65.5° | 62.3° |
| C10 | C11 | C12 | H11 | 120.1° | 119.8° |
| C10 | C11 | C12 | H11A | 120.1° | 119.9° |
| C10 | C11 | C12 | C13 | 56.8° | 57.7° |
| C11 | C10 | C9 | H9 | 170.8° | 179.2° |
| C11 | C10 | C9 | H9A | 70.9° | 60.9° |
| C11 | C10 | H10 | H10A | 119.5° | 120.1° |
| C10 | C11 | H11 | H11A | 119.9° | 120.2° |
| C10 | C11 | C12 | H12 | 62.9° | 62.3° |
| C11 | C12 | C13 | H12 | 119.7° | 120.0° |
| C11 | C12 | N1 | HN1 | 180.0° | 60.0° |
| C11 | C12 | N1 | HN1A | 60.0° | 64.0° |
| C12 | C11 | C10 | H10 | 65.6° | 62.2° |
| C12 | C11 | C10 | H10A | 174.7° | 177.6° |
| C12 | C11 | H11 | H11A | 119.9° | 120.2° |
| C11 | C12 | C13 | H13 | 68.3° | 60.8° |
| C11 | C12 | C13 | H13A | 172.6° | 179.2° |
| C13 | C12 | N1 | HN1 | 56.6° | 179.8° |
| C13 | C12 | N1 | HN1A | 176.6° | 55.8° |
| C13 | C12 | C11 | H11 | 176.9° | 177.6° |
| C13 | C12 | C11 | H11A | 63.2° | 62.2° |
| C12 | C13 | H13 | H13A | 118.6° | 119.9° |
| C15 | C16 | N2 | HN2 | 179.0° | 180.0° |
| C16 | C15 | C14 | H14 | 2.5° | 9.3° |
| H | C | HA | HB | 120.0° | 120.1° |
| H | C | C1 | H1 | 59.9° | 60.0° |
| HA | C | C1 | H1 | 179.9° | 179.9° |
| HB | C | C1 | H1 | 60.1° | 60.1° |
| H1 | C1 | C2 | H2 | 55.2° | 60.0° |
| H1 | C1 | C2 | H2A | 175.3° | 60.0° |
| H1 | C1 | C2 | H2B | 64.7° | 180.0° |
| HN1 | N1 | C12 | H12 | 61.1° | 60.1° |
| HN1A | N1 | C12 | H12 | 58.9° | 176.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.0° |
| H9 | C9 | C10 | H10 | 50.7° | 59.3° |
| H9 | C9 | C10 | H10A | 69.0° | 60.9° |
| H9A | C9 | C10 | H10 | 169.0° | 179.2° |
| H9A | C9 | C10 | H10A | 49.3° | 59.0° |
| H10 | C10 | C11 | H11 | 54.4° | 57.6° |
| H10 | C10 | C11 | H11A | 174.3° | 177.8° |
| H10A | C10 | C11 | H11 | 65.3° | 62.6° |
| H10A | C10 | C11 | H11A | 54.6° | 57.6° |
| H11 | C11 | C12 | H12 | 57.1° | 57.5° |
| H11A | C11 | C12 | H12 | 177.0° | 177.7° |
| H12 | C12 | C13 | H13 | 172.0° | 179.2° |
| H12 | C12 | C13 | H13A | 52.9° | 59.2° |
