RNL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C7 | N3 | sing | 1.35Å | 1.45Å | |
| C7 | O2 | doub | 1.21Å | 1.18Å | |
| N3 | C6 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C11 | O1 | doub | 1.21Å | 1.26Å | |
| C11 | O4 | sing | 1.34Å | 1.25Å | |
| N4 | N5 | sing | 1.29Å | 1.41Å | Aromatic |
| N4 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| N5 | C12 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | N2 | sing | 1.34Å | 1.29Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.27Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.41Å | |
| N2 | C3 | sing | 1.38Å | 1.32Å | |
| O3 | C13 | doub | 1.22Å | 1.21Å | |
| C13 | N1 | sing | 1.35Å | 1.36Å | |
| C3 | C2 | doub | 1.33Å | 1.39Å | |
| N1 | C2 | sing | 1.38Å | 1.35Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C10 | 59.6° | 60.0° |
| C9 | C8 | C7 | 117.7° | 117.5° |
| C8 | C9 | C10 | 60.8° | 60.0° |
| C8 | C9 | H14 | 119.8° | 117.6° |
| C8 | C9 | H13 | 119.8° | 117.5° |
| C9 | C8 | H1 | 115.9° | 117.6° |
| C10 | C8 | C7 | 120.4° | 117.5° |
| C8 | C10 | C9 | 59.5° | 60.0° |
| C8 | C10 | C11 | 119.0° | 117.5° |
| C8 | C10 | H2 | 116.0° | 117.5° |
| C10 | C8 | H1 | 115.6° | 117.5° |
| C8 | C7 | N3 | 114.1° | 120.0° |
| C8 | C7 | O2 | 123.3° | 120.0° |
| C7 | C8 | H1 | 115.9° | 115.5° |
| C9 | C10 | C11 | 117.6° | 117.5° |
| C9 | C10 | H2 | 116.3° | 117.5° |
| C10 | C9 | H14 | 119.9° | 117.6° |
| C10 | C9 | H13 | 119.9° | 117.4° |
| C10 | C11 | O1 | 117.4° | 120.0° |
| C10 | C11 | O4 | 121.8° | 120.0° |
| C11 | C10 | H2 | 116.3° | 115.6° |
| N3 | C7 | O2 | 122.6° | 120.0° |
| C7 | N3 | C6 | 121.2° | 120.0° |
| C7 | N3 | H12 | 119.4° | 120.0° |
| N3 | C6 | C5 | 119.2° | 109.5° |
| N3 | C6 | H10 | 107.0° | 109.4° |
| N3 | C6 | H11 | 107.0° | 109.5° |
| C6 | N3 | H12 | 119.4° | 120.0° |
| C6 | C5 | C4 | 104.7° | 109.4° |
| C5 | C6 | H10 | 107.0° | 109.5° |
| C5 | C6 | H11 | 107.0° | 109.5° |
| C6 | C5 | H9 | 110.6° | 109.5° |
| C6 | C5 | H8 | 110.6° | 109.5° |
| O1 | C11 | O4 | 120.7° | 120.0° |
| C11 | O4 | H15 | 109.5° | 117.0° |
| N5 | N4 | C4 | 104.7° | 110.1° |
| N4 | N5 | C12 | 107.2° | 109.2° |
| N4 | C4 | C5 | 123.3° | 126.2° |
| N4 | C4 | N2 | 107.8° | 107.6° |
| C5 | C4 | N2 | 128.9° | 126.2° |
| C4 | C5 | H9 | 110.6° | 109.5° |
| C4 | C5 | H8 | 110.6° | 109.5° |
| N5 | C12 | N2 | 107.0° | 107.1° |
| N5 | C12 | C13 | 131.2° | 134.3° |
| C4 | N2 | C12 | 113.3° | 106.0° |
| C4 | N2 | C3 | 124.0° | 134.3° |
| N2 | C12 | C13 | 121.8° | 118.6° |
| C12 | N2 | C3 | 122.7° | 119.7° |
| C12 | C13 | O3 | 120.6° | 120.8° |
| C12 | C13 | N1 | 117.0° | 118.4° |
| N2 | C3 | C2 | 118.6° | 121.1° |
| N2 | C3 | H7 | 120.7° | 119.4° |
| O3 | C13 | N1 | 122.4° | 120.8° |
| C13 | N1 | C2 | 120.1° | 120.3° |
| C13 | N1 | C1 | 119.9° | 119.8° |
| C3 | C2 | N1 | 119.8° | 121.8° |
| C2 | C3 | H7 | 120.7° | 119.5° |
| C3 | C2 | H6 | 120.1° | 119.1° |
| C2 | N1 | C1 | 120.0° | 119.8° |
| N1 | C2 | H6 | 120.1° | 119.0° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| N1 | C1 | H5 | 109.5° | 109.5° |
| H14 | C9 | H13 | 109.5° | 115.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H9 | C5 | H8 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C10 | C7 | 106.3° | 107.5° |
| C9 | C8 | C10 | H1 | 106.3° | 107.6° |
| C9 | C8 | C7 | H1 | 143.4° | 145.7° |
| C8 | C9 | C10 | H14 | 109.7° | 107.6° |
| C8 | C9 | C10 | H13 | 109.7° | 107.5° |
| C9 | C8 | C10 | C11 | 106.7° | 107.4° |
| C9 | C8 | C7 | N3 | 147.8° | 172.2° |
| C9 | C8 | C7 | O2 | 34.6° | 7.8° |
| C9 | C8 | C10 | H2 | 106.6° | 107.5° |
| C8 | C9 | H14 | H13 | 144.2° | 145.7° |
| C10 | C8 | C7 | H1 | 147.3° | 145.7° |
| C8 | C10 | C11 | H2 | 146.6° | 145.7° |
| C10 | C8 | C7 | N3 | 78.6° | 103.6° |
| C10 | C8 | C7 | O2 | 103.8° | 76.4° |
| C8 | C10 | C11 | O1 | 114.3° | 3.9° |
| C8 | C10 | C11 | O4 | 65.8° | 176.1° |
| C7 | C8 | C10 | C11 | 0.5° | 0.0° |
| C8 | C7 | N3 | O2 | 177.6° | 180.0° |
| C8 | C7 | N3 | C6 | 175.1° | 180.0° |
| C7 | C8 | C10 | H2 | 147.1° | 145.0° |
| C7 | C8 | C9 | H14 | 139.5° | 0.0° |
| C7 | C8 | C9 | H13 | 1.1° | 145.1° |
| C8 | C7 | N3 | H12 | 4.9° | 0.0° |
| C9 | C10 | C11 | H2 | 144.8° | 145.7° |
| C9 | C10 | C11 | O1 | 177.1° | 64.7° |
| C9 | C10 | C11 | O4 | 2.8° | 115.3° |
| C10 | C9 | H14 | H13 | 144.3° | 145.6° |
| C10 | C11 | O1 | O4 | 179.9° | 180.0° |
| C10 | C11 | O4 | H15 | 179.9° | 180.0° |
| C11 | C10 | C9 | H14 | 141.2° | 0.1° |
| C11 | C10 | C9 | H13 | 0.5° | 145.0° |
| C11 | C10 | C8 | H1 | 147.0° | 145.0° |
| C7 | N3 | C6 | H12 | 180.0° | 180.0° |
| C7 | N3 | C6 | C5 | 75.4° | 180.0° |
| N3 | C7 | C8 | H1 | 68.8° | 42.1° |
| C7 | N3 | C6 | H10 | 45.9° | 60.0° |
| C7 | N3 | C6 | H11 | 163.2° | 60.0° |
| O2 | C7 | N3 | C6 | 2.5° | 0.0° |
| O2 | C7 | C8 | H1 | 108.9° | 137.9° |
| O2 | C7 | N3 | H12 | 177.5° | 180.0° |
| N3 | C6 | C5 | H10 | 121.4° | 120.0° |
| N3 | C6 | C5 | H11 | 121.4° | 120.0° |
| N3 | C6 | C5 | C4 | 155.5° | 180.0° |
| N3 | C6 | H10 | H11 | 115.6° | 120.0° |
| N3 | C6 | C5 | H9 | 36.2° | 60.0° |
| N3 | C6 | C5 | H8 | 85.3° | 60.0° |
| C6 | C5 | C4 | N4 | 1.6° | 90.0° |
| C6 | C5 | C4 | H9 | 119.2° | 120.0° |
| C6 | C5 | C4 | H8 | 119.2° | 119.9° |
| C6 | C5 | C4 | N2 | 178.0° | 90.0° |
| C5 | C6 | H10 | H11 | 115.6° | 120.0° |
| C6 | C5 | H9 | H8 | 122.2° | 120.0° |
| C5 | C6 | N3 | H12 | 104.6° | 0.0° |
| O1 | C11 | O4 | H15 | 0.0° | 0.1° |
| O1 | C11 | C10 | H2 | 32.3° | 149.6° |
| O4 | C11 | C10 | H2 | 147.6° | 30.4° |
| N5 | N4 | C4 | C5 | 179.3° | 179.9° |
| N5 | N4 | C4 | N2 | 0.4° | 0.0° |
| N4 | N5 | C12 | N2 | 0.3° | 0.0° |
| N4 | N5 | C12 | C13 | 179.5° | 180.0° |
| N4 | C4 | C5 | N2 | 179.7° | 179.9° |
| C4 | N4 | N5 | C12 | 0.1° | 0.0° |
| N4 | C4 | N2 | C12 | 0.6° | 0.0° |
| N4 | C4 | N2 | C3 | 179.5° | 179.8° |
| N4 | C4 | C5 | H9 | 120.9° | 149.9° |
| N4 | C4 | C5 | H8 | 117.6° | 29.9° |
| C5 | C4 | N2 | C12 | 179.1° | 179.9° |
| C5 | C4 | N2 | C3 | 0.7° | 0.3° |
| C4 | C5 | C6 | H10 | 83.2° | 60.0° |
| C4 | C5 | C6 | H11 | 34.1° | 60.0° |
| C4 | C5 | H9 | H8 | 122.2° | 120.0° |
| N5 | C12 | N2 | C4 | 0.6° | 0.0° |
| N5 | C12 | N2 | C13 | 179.3° | 180.0° |
| N5 | C12 | N2 | C3 | 179.6° | 179.8° |
| N5 | C12 | C13 | O3 | 0.9° | 0.1° |
| N5 | C12 | C13 | N1 | 179.0° | 179.9° |
| C4 | N2 | C12 | C3 | 179.8° | 179.8° |
| C4 | N2 | C12 | C13 | 179.9° | 180.0° |
| C4 | N2 | C3 | C2 | 179.7° | 179.8° |
| N2 | C4 | C5 | H9 | 58.8° | 30.0° |
| N2 | C4 | C5 | H8 | 62.7° | 150.0° |
| C4 | N2 | C3 | H7 | 0.3° | 0.3° |
| N2 | C12 | C13 | O3 | 180.0° | 179.9° |
| N2 | C12 | C13 | N1 | 0.1° | 0.0° |
| C12 | N2 | C3 | C2 | 0.4° | 0.4° |
| C12 | N2 | C3 | H7 | 179.5° | 180.0° |
| C13 | C12 | N2 | C3 | 0.3° | 0.2° |
| C12 | C13 | O3 | N1 | 179.9° | 179.9° |
| C12 | C13 | N1 | C2 | 0.4° | 0.1° |
| C12 | C13 | N1 | C1 | 179.4° | 179.7° |
| N2 | C3 | C2 | H7 | 180.0° | 179.6° |
| N2 | C3 | C2 | N1 | 0.1° | 0.4° |
| N2 | C3 | C2 | H6 | 179.9° | 179.5° |
| O3 | C13 | N1 | C2 | 179.7° | 180.0° |
| O3 | C13 | N1 | C1 | 0.7° | 0.4° |
| C13 | N1 | C2 | C3 | 0.3° | 0.3° |
| C13 | N1 | C2 | C1 | 179.0° | 179.7° |
| C13 | N1 | C2 | H6 | 179.7° | 179.7° |
| C13 | N1 | C1 | H3 | 180.0° | 179.7° |
| C13 | N1 | C1 | H4 | 60.0° | 59.7° |
| C13 | N1 | C1 | H5 | 60.0° | 60.3° |
| C3 | C2 | N1 | H6 | 180.0° | 180.0° |
| C3 | C2 | N1 | C1 | 179.3° | 179.9° |
| N1 | C2 | C3 | H7 | 179.9° | 180.0° |
| C2 | N1 | C1 | H3 | 1.0° | 0.0° |
| C2 | N1 | C1 | H4 | 121.0° | 120.0° |
| C2 | N1 | C1 | H5 | 119.0° | 120.0° |
| C1 | N1 | C2 | H6 | 0.7° | 0.0° |
| N1 | C1 | H3 | H4 | 120.0° | 120.0° |
| N1 | C1 | H3 | H5 | 120.0° | 120.0° |
| N1 | C1 | H4 | H5 | 120.0° | 120.0° |
| H2 | C10 | C9 | H14 | 3.6° | 145.0° |
| H2 | C10 | C9 | H13 | 144.3° | 0.0° |
| H2 | C10 | C8 | H1 | 0.3° | 0.0° |
| H14 | C9 | C8 | H1 | 4.0° | 145.0° |
| H13 | C9 | C8 | H1 | 144.5° | 0.1° |
| H10 | C6 | C5 | H9 | 157.6° | 60.0° |
| H10 | C6 | C5 | H8 | 36.1° | 180.0° |
| H10 | C6 | N3 | H12 | 134.1° | 120.0° |
| H11 | C6 | C5 | H9 | 85.1° | 180.0° |
| H11 | C6 | C5 | H8 | 153.3° | 60.0° |
| H11 | C6 | N3 | H12 | 16.8° | 120.0° |
| H7 | C3 | C2 | H6 | 0.2° | 0.0° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
