RL2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O7 | doub | 1.21Å | 1.23Å | |
| C1 | O6 | sing | 1.34Å | 1.34Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O8 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C4 | O9 | doub | 1.21Å | 1.23Å | |
| C4 | N5 | sing | 1.35Å | 1.37Å | |
| N5 | C10 | sing | 1.46Å | 1.50Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C11 | N20 | sing | 1.35Å | 1.37Å | |
| C11 | O26 | doub | 1.21Å | 1.24Å | |
| N20 | C21 | sing | 1.47Å | 1.48Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C1 | O6 | 118.2° | 120.0° |
| O7 | C1 | C2 | 123.9° | 120.0° |
| O6 | C1 | C2 | 117.2° | 120.0° |
| C1 | O6 | HO6 | 109.5° | 117.0° |
| C1 | C2 | C3 | 108.8° | 109.5° |
| C1 | C2 | H21 | 109.7° | 109.4° |
| C1 | C2 | H22 | 109.7° | 109.5° |
| C3 | C2 | H21 | 109.7° | 109.5° |
| C3 | C2 | H22 | 109.7° | 109.5° |
| C2 | C3 | O8 | 110.0° | 109.5° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| C2 | C3 | H31 | 106.2° | 109.5° |
| H21 | C2 | H22 | 109.2° | 109.5° |
| O8 | C3 | C4 | 109.3° | 109.5° |
| O8 | C3 | H31 | 110.7° | 109.5° |
| C3 | O8 | HO8 | 109.5° | 113.9° |
| C4 | C3 | H31 | 106.9° | 109.5° |
| C3 | C4 | O9 | 120.3° | 120.0° |
| C3 | C4 | N5 | 120.1° | 120.0° |
| O9 | C4 | N5 | 119.6° | 120.0° |
| C4 | N5 | C10 | 124.3° | 120.0° |
| C4 | N5 | HN5 | 117.9° | 120.0° |
| C10 | N5 | HN5 | 117.8° | 120.0° |
| N5 | C10 | C12 | 109.7° | 109.4° |
| N5 | C10 | C11 | 111.0° | 109.5° |
| N5 | C10 | H101 | 108.4° | 109.5° |
| C12 | C10 | C11 | 110.0° | 109.5° |
| C12 | C10 | H101 | 109.6° | 109.4° |
| C10 | C12 | C13 | 112.7° | 109.5° |
| C10 | C12 | H121 | 108.4° | 109.5° |
| C10 | C12 | H122 | 108.4° | 109.5° |
| C11 | C10 | H101 | 108.2° | 109.5° |
| C10 | C11 | N20 | 116.4° | 120.0° |
| C10 | C11 | O26 | 121.6° | 120.0° |
| C13 | C12 | H121 | 108.4° | 109.4° |
| C13 | C12 | H122 | 108.4° | 109.5° |
| C12 | C13 | C14 | 113.5° | 109.5° |
| C12 | C13 | H131 | 108.2° | 109.4° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| H121 | C12 | H122 | 110.5° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.5° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| C13 | C14 | C19 | 119.1° | 120.0° |
| H131 | C13 | H132 | 110.8° | 109.4° |
| C15 | C14 | C19 | 119.5° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H151 | 119.9° | 120.0° |
| C14 | C19 | C18 | 120.8° | 120.0° |
| C14 | C19 | H191 | 119.6° | 120.0° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C18 | C17 | H171 | 119.8° | 120.0° |
| C17 | C18 | C19 | 119.1° | 120.0° |
| C17 | C18 | H181 | 120.5° | 120.0° |
| C19 | C18 | H181 | 120.5° | 120.0° |
| C18 | C19 | H191 | 119.6° | 120.0° |
| N20 | C11 | O26 | 120.9° | 120.0° |
| C11 | N20 | C21 | 122.2° | 120.0° |
| C11 | N20 | H20 | 118.9° | 120.0° |
| C21 | N20 | H20 | 118.9° | 120.0° |
| N20 | C21 | C22 | 111.6° | 109.5° |
| N20 | C21 | H211 | 108.8° | 109.5° |
| N20 | C21 | H212 | 108.8° | 109.5° |
| C22 | C21 | H211 | 108.8° | 109.5° |
| C22 | C21 | H212 | 108.8° | 109.4° |
| C21 | C22 | C23 | 111.9° | 109.5° |
| C21 | C22 | H221 | 108.7° | 109.5° |
| C21 | C22 | H222 | 108.7° | 109.4° |
| H211 | C21 | H212 | 110.2° | 109.5° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C22 | C23 | C25 | 112.9° | 109.5° |
| C22 | C23 | C24 | 110.5° | 109.5° |
| C22 | C23 | H231 | 106.6° | 109.5° |
| H221 | C22 | H222 | 110.3° | 109.5° |
| C25 | C23 | C24 | 110.3° | 109.5° |
| C25 | C23 | H231 | 106.8° | 109.5° |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.5° | 109.5° |
| C23 | C25 | H253 | 109.5° | 109.5° |
| C24 | C23 | H231 | 109.5° | 109.4° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.5° |
| C23 | C24 | H243 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C1 | O6 | C2 | 171.1° | 180.0° |
| O7 | C1 | O6 | HO6 | 0.0° | 0.0° |
| O7 | C1 | C2 | C3 | 58.7° | 0.0° |
| O7 | C1 | C2 | H21 | 61.3° | 119.9° |
| O7 | C1 | C2 | H22 | 178.7° | 120.1° |
| O6 | C1 | C2 | C3 | 130.7° | 180.0° |
| O6 | C1 | C2 | H21 | 109.3° | 60.0° |
| O6 | C1 | C2 | H22 | 10.7° | 60.0° |
| C2 | C1 | O6 | HO6 | 171.1° | 180.0° |
| C1 | C2 | C3 | H21 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 120.3° | 120.0° |
| C1 | C2 | C3 | O8 | 62.4° | 65.0° |
| C1 | C2 | C3 | C4 | 174.7° | 175.0° |
| C1 | C2 | C3 | H31 | 57.4° | 55.0° |
| C3 | C2 | H21 | H22 | 120.3° | 120.0° |
| C2 | C3 | O8 | C4 | 125.3° | 120.0° |
| C2 | C3 | O8 | H31 | 117.1° | 120.0° |
| C2 | C3 | C4 | H31 | 116.8° | 120.0° |
| C2 | C3 | O8 | HO8 | 180.0° | 60.0° |
| C2 | C3 | C4 | O9 | 91.2° | 115.0° |
| C2 | C3 | C4 | N5 | 86.3° | 64.7° |
| H21 | C2 | C3 | O8 | 177.6° | 55.0° |
| H21 | C2 | C3 | C4 | 54.7° | 65.0° |
| H21 | C2 | C3 | H31 | 62.6° | 174.9° |
| H22 | C2 | C3 | O8 | 57.6° | 175.0° |
| H22 | C2 | C3 | C4 | 65.3° | 55.0° |
| H22 | C2 | C3 | H31 | 177.4° | 65.0° |
| O8 | C3 | C4 | H31 | 119.9° | 120.0° |
| O8 | C3 | C4 | O9 | 145.5° | 5.0° |
| O8 | C3 | C4 | N5 | 37.0° | 175.3° |
| C4 | C3 | O8 | HO8 | 54.7° | 60.0° |
| C3 | C4 | O9 | N5 | 177.5° | 179.7° |
| C3 | C4 | N5 | C10 | 173.6° | 179.7° |
| C3 | C4 | N5 | HN5 | 6.4° | 0.2° |
| H31 | C3 | O8 | HO8 | 62.9° | 180.0° |
| H31 | C3 | C4 | O9 | 25.6° | 125.0° |
| H31 | C3 | C4 | N5 | 156.9° | 55.3° |
| O9 | C4 | N5 | C10 | 9.0° | 0.0° |
| O9 | C4 | N5 | HN5 | 171.1° | 179.9° |
| C4 | N5 | C10 | HN5 | 180.0° | 179.9° |
| C4 | N5 | C10 | C12 | 158.2° | 85.0° |
| C4 | N5 | C10 | C11 | 80.1° | 155.0° |
| C4 | N5 | C10 | H101 | 38.6° | 34.9° |
| N5 | C10 | C12 | C11 | 122.4° | 120.0° |
| N5 | C10 | C12 | H101 | 118.9° | 120.0° |
| N5 | C10 | C11 | H101 | 118.8° | 120.0° |
| N5 | C10 | C12 | C13 | 61.8° | 65.0° |
| N5 | C10 | C12 | H121 | 58.2° | 55.0° |
| N5 | C10 | C12 | H122 | 178.2° | 175.0° |
| N5 | C10 | C11 | N20 | 145.8° | 180.0° |
| N5 | C10 | C11 | O26 | 46.5° | 0.0° |
| HN5 | N5 | C10 | C12 | 21.9° | 95.1° |
| HN5 | N5 | C10 | C11 | 99.8° | 24.9° |
| HN5 | N5 | C10 | H101 | 141.5° | 145.0° |
| C12 | C10 | C11 | H101 | 119.6° | 120.0° |
| C10 | C12 | C13 | H121 | 120.0° | 120.0° |
| C10 | C12 | C13 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H122 | 118.7° | 120.0° |
| C10 | C12 | C13 | C14 | 72.7° | 180.0° |
| C10 | C12 | C13 | H131 | 47.3° | 60.0° |
| C10 | C12 | C13 | H132 | 167.3° | 60.0° |
| C12 | C10 | C11 | N20 | 92.6° | 60.0° |
| C12 | C10 | C11 | O26 | 75.1° | 120.0° |
| C11 | C10 | C12 | C13 | 175.8° | 175.0° |
| C11 | C10 | C12 | H121 | 64.2° | 65.0° |
| C11 | C10 | C12 | H122 | 55.8° | 55.0° |
| C10 | C11 | N20 | O26 | 167.7° | 180.0° |
| C10 | C11 | N20 | C21 | 169.0° | 180.0° |
| C10 | C11 | N20 | H20 | 11.0° | 0.0° |
| H101 | C10 | C12 | C13 | 57.1° | 55.0° |
| H101 | C10 | C12 | H121 | 177.1° | 175.0° |
| H101 | C10 | C12 | H122 | 63.0° | 65.0° |
| H101 | C10 | C11 | N20 | 27.0° | 60.0° |
| H101 | C10 | C11 | O26 | 165.3° | 120.0° |
| C13 | C12 | H121 | H122 | 118.7° | 120.0° |
| C12 | C13 | C14 | H131 | 120.0° | 119.9° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 118.4° | 119.9° |
| C12 | C13 | C14 | C15 | 92.7° | 90.0° |
| C12 | C13 | C14 | C19 | 78.5° | 90.3° |
| H121 | C12 | C13 | C14 | 167.3° | 60.0° |
| H121 | C12 | C13 | H131 | 72.7° | 180.0° |
| H121 | C12 | C13 | H132 | 47.3° | 60.0° |
| H122 | C12 | C13 | C14 | 47.3° | 59.9° |
| H122 | C12 | C13 | H131 | 167.3° | 60.1° |
| H122 | C12 | C13 | H132 | 72.7° | 180.0° |
| C14 | C13 | H131 | H132 | 118.4° | 120.1° |
| C13 | C14 | C15 | C19 | 171.2° | 179.7° |
| C13 | C14 | C15 | C16 | 169.7° | 180.0° |
| C13 | C14 | C15 | H151 | 10.3° | 0.0° |
| C13 | C14 | C19 | C18 | 169.3° | 180.0° |
| C13 | C14 | C19 | H191 | 10.7° | 0.1° |
| H131 | C13 | C14 | C15 | 27.2° | 29.9° |
| H131 | C13 | C14 | C19 | 161.5° | 149.7° |
| H132 | C13 | C14 | C15 | 147.3° | 150.0° |
| H132 | C13 | C14 | C19 | 41.5° | 29.7° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | C16 | H161 | 180.0° | 180.0° |
| C15 | C14 | C19 | C18 | 2.1° | 0.3° |
| C15 | C14 | C19 | H191 | 177.9° | 179.7° |
| C19 | C14 | C15 | C16 | 1.5° | 0.3° |
| C19 | C14 | C15 | H151 | 178.5° | 179.7° |
| C14 | C19 | C18 | C17 | 1.1° | 0.0° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C14 | C19 | C18 | H181 | 178.9° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.1° | 0.2° |
| C15 | C16 | C17 | H171 | 179.0° | 180.0° |
| H151 | C15 | C16 | C17 | 180.0° | 179.9° |
| H151 | C15 | C16 | H161 | 0.0° | 0.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.5° | 0.2° |
| C16 | C17 | C18 | H181 | 179.5° | 179.7° |
| H161 | C16 | C17 | C18 | 179.0° | 179.7° |
| H161 | C16 | C17 | H171 | 1.0° | 0.1° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | H191 | 178.9° | 180.0° |
| H171 | C17 | C18 | C19 | 179.5° | 180.0° |
| H171 | C17 | C18 | H181 | 0.5° | 0.1° |
| H181 | C18 | C19 | H191 | 1.1° | 0.1° |
| C11 | N20 | C21 | H20 | 180.0° | 180.0° |
| C11 | N20 | C21 | C22 | 174.3° | 180.0° |
| C11 | N20 | C21 | H211 | 54.3° | 60.0° |
| C11 | N20 | C21 | H212 | 65.8° | 60.0° |
| O26 | C11 | N20 | C21 | 23.3° | 0.0° |
| O26 | C11 | N20 | H20 | 156.8° | 180.0° |
| N20 | C21 | C22 | H211 | 120.0° | 120.0° |
| N20 | C21 | C22 | H212 | 120.0° | 120.0° |
| N20 | C21 | H211 | H212 | 119.2° | 120.0° |
| N20 | C21 | C22 | C23 | 149.7° | 180.0° |
| N20 | C21 | C22 | H221 | 29.7° | 59.9° |
| N20 | C21 | C22 | H222 | 90.3° | 60.0° |
| H20 | N20 | C21 | C22 | 5.8° | 0.0° |
| H20 | N20 | C21 | H211 | 125.8° | 120.0° |
| H20 | N20 | C21 | H212 | 114.2° | 119.9° |
| C22 | C21 | H211 | H212 | 119.1° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.1° |
| C21 | C22 | C23 | H222 | 120.0° | 119.9° |
| C21 | C22 | H221 | H222 | 119.0° | 119.9° |
| C21 | C22 | C23 | C25 | 54.4° | 65.0° |
| C21 | C22 | C23 | C24 | 178.5° | 175.0° |
| C21 | C22 | C23 | H231 | 62.6° | 55.1° |
| H211 | C21 | C22 | C23 | 90.3° | 60.0° |
| H211 | C21 | C22 | H221 | 149.7° | 180.0° |
| H211 | C21 | C22 | H222 | 29.7° | 60.0° |
| H212 | C21 | C22 | C23 | 29.7° | 60.1° |
| H212 | C21 | C22 | H221 | 90.3° | 60.0° |
| H212 | C21 | C22 | H222 | 149.7° | 180.0° |
| C23 | C22 | H221 | H222 | 119.0° | 120.0° |
| C22 | C23 | C25 | C24 | 124.2° | 120.0° |
| C22 | C23 | C25 | H231 | 116.9° | 120.0° |
| C22 | C23 | C24 | H231 | 117.2° | 120.0° |
| C22 | C23 | C25 | H251 | 180.0° | 60.0° |
| C22 | C23 | C25 | H252 | 60.0° | 180.0° |
| C22 | C23 | C25 | H253 | 60.0° | 60.0° |
| C22 | C23 | C24 | H241 | 180.0° | 60.0° |
| C22 | C23 | C24 | H242 | 60.0° | 60.0° |
| C22 | C23 | C24 | H243 | 60.0° | 179.9° |
| H221 | C22 | C23 | C25 | 174.4° | 175.0° |
| H221 | C22 | C23 | C24 | 61.5° | 55.0° |
| H221 | C22 | C23 | H231 | 57.4° | 65.0° |
| H222 | C22 | C23 | C25 | 65.6° | 55.0° |
| H222 | C22 | C23 | C24 | 58.5° | 65.1° |
| H222 | C22 | C23 | H231 | 177.4° | 175.0° |
| C25 | C23 | C24 | H231 | 117.3° | 120.0° |
| C23 | C25 | H251 | H252 | 120.0° | 120.0° |
| C23 | C25 | H251 | H253 | 120.0° | 120.0° |
| C23 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C23 | C24 | H241 | 54.4° | 60.1° |
| C25 | C23 | C24 | H242 | 174.4° | 180.0° |
| C25 | C23 | C24 | H243 | 65.6° | 60.0° |
| C24 | C23 | C25 | H251 | 55.8° | 60.0° |
| C24 | C23 | C25 | H252 | 64.2° | 60.0° |
| C24 | C23 | C25 | H253 | 175.8° | 180.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 119.9° | 120.1° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| H231 | C23 | C25 | H251 | 63.1° | 180.0° |
| H231 | C23 | C25 | H252 | 176.9° | 60.0° |
| H231 | C23 | C25 | H253 | 56.9° | 60.0° |
| H231 | C23 | C24 | H241 | 62.9° | 179.9° |
| H231 | C23 | C24 | H242 | 57.1° | 60.0° |
| H231 | C23 | C24 | H243 | 177.2° | 60.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
