RLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N12 | sing | 1.46Å | 1.46Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| C11 | C04 | sing | 1.54Å | 1.54Å | |
| N12 | C02 | sing | 1.34Å | 1.40Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | sing | 1.55Å | 1.54Å | |
| C04 | C05 | sing | 1.51Å | 1.49Å | |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C11 | 127.1° | 124.4° |
| C13 | N12 | C02 | 121.2° | 124.4° |
| N12 | C13 | H1 | 109.5° | 109.5° |
| N12 | C13 | H2 | 109.5° | 109.5° |
| N12 | C13 | H3 | 109.5° | 109.5° |
| N12 | C11 | C04 | 106.4° | 105.5° |
| C11 | N12 | C02 | 111.6° | 111.3° |
| N12 | C11 | H5 | 110.2° | 110.2° |
| N12 | C11 | H6 | 110.2° | 110.3° |
| C11 | C04 | C03 | 102.2° | 101.8° |
| C11 | C04 | C05 | 109.6° | 110.9° |
| C04 | C11 | H5 | 110.2° | 110.2° |
| C04 | C11 | H6 | 110.3° | 110.2° |
| C11 | C04 | H9 | 109.8° | 111.0° |
| N12 | C02 | O01 | 124.7° | 124.9° |
| N12 | C02 | C03 | 107.4° | 110.2° |
| O01 | C02 | C03 | 127.9° | 124.9° |
| C02 | C03 | C04 | 107.0° | 104.2° |
| C02 | C03 | H7 | 110.1° | 110.5° |
| C02 | C03 | H8 | 110.1° | 110.5° |
| C03 | C04 | C05 | 114.6° | 110.9° |
| C04 | C03 | H7 | 110.1° | 110.5° |
| C04 | C03 | H8 | 110.1° | 110.6° |
| C03 | C04 | H9 | 109.7° | 111.0° |
| C04 | C05 | C06 | 118.1° | 120.0° |
| C04 | C05 | C10 | 123.9° | 120.0° |
| C05 | C04 | H9 | 110.5° | 110.9° |
| C05 | C06 | C07 | 120.1° | 120.0° |
| C06 | C05 | C10 | 118.0° | 120.0° |
| C05 | C06 | H10 | 120.0° | 120.0° |
| C06 | C07 | C08 | 121.3° | 120.0° |
| C07 | C06 | H10 | 120.0° | 120.0° |
| C06 | C07 | H11 | 119.4° | 120.0° |
| C05 | C10 | C09 | 122.0° | 120.0° |
| C05 | C10 | H4 | 119.0° | 120.1° |
| C07 | C08 | C09 | 118.9° | 120.0° |
| C08 | C07 | H11 | 119.4° | 120.0° |
| C07 | C08 | H12 | 120.6° | 120.0° |
| C10 | C09 | C08 | 119.8° | 120.0° |
| C09 | C10 | H4 | 119.0° | 120.0° |
| C10 | C09 | H13 | 120.1° | 120.0° |
| C09 | C08 | H12 | 120.6° | 120.0° |
| C08 | C09 | H13 | 120.1° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.4° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 110.3° |
| H7 | C03 | H8 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C11 | C02 | 178.5° | 180.0° |
| C13 | N12 | C11 | C04 | 166.3° | 163.0° |
| C13 | N12 | C02 | O01 | 0.5° | 0.4° |
| C13 | N12 | C02 | C03 | 179.6° | 179.6° |
| N12 | C13 | H1 | H2 | 120.0° | 120.0° |
| N12 | C13 | H1 | H3 | 120.0° | 120.0° |
| N12 | C13 | H2 | H3 | 120.0° | 120.1° |
| C13 | N12 | C11 | H5 | 74.2° | 78.0° |
| C13 | N12 | C11 | H6 | 46.7° | 44.0° |
| N12 | C11 | C04 | H5 | 119.5° | 119.0° |
| N12 | C11 | C04 | H6 | 119.5° | 119.0° |
| C11 | N12 | C02 | O01 | 178.0° | 179.6° |
| C11 | N12 | C02 | C03 | 1.1° | 0.4° |
| N12 | C11 | C04 | C03 | 22.1° | 25.4° |
| N12 | C11 | C04 | C05 | 99.9° | 143.5° |
| C11 | N12 | C13 | H1 | 180.0° | 90.0° |
| C11 | N12 | C13 | H2 | 60.0° | 150.0° |
| C11 | N12 | C13 | H3 | 60.0° | 29.9° |
| N12 | C11 | H5 | H6 | 121.4° | 122.0° |
| N12 | C11 | C04 | H9 | 138.5° | 92.7° |
| C04 | C11 | N12 | C02 | 15.3° | 17.0° |
| C11 | C04 | C03 | C02 | 21.7° | 24.8° |
| C11 | C04 | C03 | C05 | 118.5° | 118.1° |
| C11 | C04 | C03 | H9 | 116.5° | 118.2° |
| C11 | C04 | C05 | H9 | 121.2° | 123.8° |
| C11 | C04 | C05 | C06 | 57.8° | 60.1° |
| C11 | C04 | C05 | C10 | 120.9° | 120.0° |
| C04 | C11 | H5 | H6 | 121.4° | 122.0° |
| C11 | C04 | C03 | H7 | 141.3° | 93.9° |
| C11 | C04 | C03 | H8 | 98.0° | 143.5° |
| N12 | C02 | O01 | C03 | 178.9° | 180.0° |
| N12 | C02 | C03 | C04 | 13.5° | 16.3° |
| C02 | N12 | C13 | H1 | 1.7° | 90.0° |
| C02 | N12 | C13 | H2 | 121.7° | 30.0° |
| C02 | N12 | C13 | H3 | 118.3° | 150.0° |
| C02 | N12 | C11 | H5 | 104.3° | 102.0° |
| C02 | N12 | C11 | H6 | 134.8° | 136.0° |
| N12 | C02 | C03 | H7 | 133.1° | 102.4° |
| N12 | C02 | C03 | H8 | 106.1° | 135.0° |
| O01 | C02 | C03 | C04 | 167.4° | 163.7° |
| O01 | C02 | C03 | H7 | 47.8° | 77.6° |
| O01 | C02 | C03 | H8 | 72.9° | 44.9° |
| C02 | C03 | C04 | H7 | 119.6° | 118.7° |
| C02 | C03 | C04 | H8 | 119.6° | 118.7° |
| C02 | C03 | C04 | C05 | 96.8° | 142.9° |
| C02 | C03 | H7 | H8 | 121.1° | 122.5° |
| C02 | C03 | C04 | H9 | 138.1° | 93.3° |
| C03 | C04 | C05 | H9 | 124.6° | 123.8° |
| C03 | C04 | C05 | C06 | 172.1° | 52.3° |
| C03 | C04 | C05 | C10 | 6.7° | 127.6° |
| C03 | C04 | C11 | H5 | 97.4° | 93.5° |
| C03 | C04 | C11 | H6 | 141.6° | 144.4° |
| C04 | C03 | H7 | H8 | 121.1° | 122.7° |
| C04 | C05 | C06 | C10 | 178.8° | 179.9° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C04 | C05 | C10 | C09 | 179.6° | 179.9° |
| C04 | C05 | C10 | H4 | 0.4° | 0.3° |
| C05 | C04 | C11 | H5 | 140.6° | 24.5° |
| C05 | C04 | C11 | H6 | 19.6° | 97.5° |
| C05 | C04 | C03 | H7 | 22.8° | 24.2° |
| C05 | C04 | C03 | H8 | 143.5° | 98.4° |
| C04 | C05 | C06 | H10 | 0.5° | 0.1° |
| C05 | C06 | C07 | H10 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.5° | 0.1° |
| C06 | C05 | C10 | C09 | 0.9° | 0.0° |
| C06 | C05 | C10 | H4 | 179.1° | 179.7° |
| C06 | C05 | C04 | H9 | 63.3° | 176.1° |
| C05 | C06 | C07 | H11 | 179.5° | 179.9° |
| C07 | C06 | C05 | C10 | 0.6° | 0.1° |
| C06 | C07 | C08 | H11 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.6° | 0.0° |
| C06 | C07 | C08 | H12 | 179.4° | 180.0° |
| C05 | C10 | C09 | H4 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 1.0° | 0.1° |
| C10 | C05 | C04 | H9 | 117.9° | 3.8° |
| C10 | C05 | C06 | H10 | 179.3° | 180.0° |
| C05 | C10 | C09 | H13 | 179.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.8° | 0.1° |
| C07 | C08 | C09 | H12 | 180.0° | 180.0° |
| C08 | C07 | C06 | H10 | 179.4° | 180.0° |
| C07 | C08 | C09 | H13 | 179.2° | 179.8° |
| C10 | C09 | C08 | H13 | 180.0° | 179.9° |
| C10 | C09 | C08 | H12 | 179.2° | 179.9° |
| C08 | C09 | C10 | H4 | 179.0° | 179.8° |
| C09 | C08 | C07 | H11 | 179.4° | 180.0° |
| H1 | C13 | H2 | H3 | 120.0° | 119.9° |
| H4 | C10 | C09 | H13 | 1.0° | 0.1° |
| H5 | C11 | C04 | H9 | 19.0° | 148.3° |
| H6 | C11 | C04 | H9 | 102.0° | 26.3° |
| H7 | C03 | C04 | H9 | 102.3° | 148.0° |
| H8 | C03 | C04 | H9 | 18.5° | 25.3° |
| H10 | C06 | C07 | H11 | 0.6° | 0.0° |
| H11 | C07 | C08 | H12 | 0.6° | 0.0° |
| H12 | C08 | C09 | H13 | 0.8° | 0.2° |
