19U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N1 | C14 | sing | 1.35Å | 1.36Å | |
| N1 | C12 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.55Å | 1.55Å | |
| C7 | C12 | sing | 1.51Å | 1.50Å | |
| C7 | N23 | sing | 1.35Å | 1.36Å | |
| C7 | O22 | doub | 1.21Å | 1.22Å | |
| C15 | C1 | sing | 1.53Å | 1.55Å | |
| C15 | N | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C17 | C1 | sing | 1.53Å | 1.54Å | |
| C24 | N23 | sing | 1.46Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | O32 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.55Å | 1.56Å | |
| C2 | C12 | sing | 1.54Å | 1.55Å | |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | CL21 | sing | 1.74Å | 1.76Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C14 | 121.3° | 125.6° |
| C4 | N1 | C12 | 115.9° | 108.7° |
| N1 | C4 | C3 | 100.6° | 104.8° |
| N1 | C4 | H4 | 111.7° | 110.3° |
| N1 | C4 | H4A | 111.7° | 110.3° |
| C14 | N1 | C12 | 121.5° | 125.7° |
| N1 | C14 | C15 | 123.1° | 120.0° |
| N1 | C14 | O32 | 122.1° | 120.0° |
| N1 | C12 | C7 | 113.4° | 109.9° |
| N1 | C12 | C2 | 98.7° | 107.3° |
| N1 | C12 | H12 | 111.2° | 109.8° |
| C4 | C3 | C2 | 101.9° | 101.6° |
| C3 | C4 | H4 | 111.6° | 110.2° |
| C3 | C4 | H4A | 111.6° | 110.5° |
| C4 | C3 | H3 | 111.3° | 111.0° |
| C4 | C3 | H3A | 111.3° | 111.0° |
| C12 | C7 | N23 | 120.1° | 120.0° |
| C12 | C7 | O22 | 118.9° | 120.0° |
| C7 | C12 | C2 | 112.6° | 110.1° |
| C7 | C12 | H12 | 110.6° | 109.9° |
| N23 | C7 | O22 | 121.0° | 120.0° |
| C7 | N23 | C24 | 117.0° | 120.0° |
| C7 | N23 | HN23 | 121.5° | 120.0° |
| C1 | C15 | N | 108.0° | 109.5° |
| C1 | C15 | C14 | 108.2° | 109.5° |
| C15 | C1 | C17 | 109.5° | 109.5° |
| C1 | C15 | H15 | 109.4° | 109.4° |
| C15 | C1 | H1 | 109.5° | 109.5° |
| C15 | C1 | H1A | 109.5° | 109.5° |
| N | C15 | C14 | 110.9° | 109.5° |
| N | C15 | H15 | 110.4° | 109.5° |
| C15 | N | HN | 109.5° | 111.0° |
| C15 | N | HNA | 109.4° | 111.0° |
| C15 | C14 | O32 | 114.8° | 120.0° |
| C14 | C15 | H15 | 109.9° | 109.5° |
| C1 | C17 | H17 | 109.5° | 109.5° |
| C1 | C17 | H17A | 109.5° | 109.5° |
| C1 | C17 | H17B | 109.5° | 109.5° |
| C17 | C1 | H1 | 109.5° | 109.5° |
| C17 | C1 | H1A | 109.5° | 109.4° |
| N23 | C24 | C25 | 113.0° | 109.4° |
| N23 | C24 | H24 | 108.6° | 109.5° |
| N23 | C24 | H24A | 108.6° | 109.5° |
| C24 | N23 | HN23 | 121.5° | 120.0° |
| C24 | C25 | C26 | 118.3° | 120.0° |
| C24 | C25 | C30 | 122.8° | 120.0° |
| C25 | C24 | H24 | 108.6° | 109.4° |
| C25 | C24 | H24A | 108.6° | 109.5° |
| C25 | C26 | C27 | 120.8° | 120.1° |
| C26 | C25 | C30 | 118.9° | 120.0° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C27 | C26 | H26 | 119.6° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.0° |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C28 | C29 | C30 | 119.3° | 120.0° |
| C28 | C29 | CL21 | 119.3° | 120.0° |
| C29 | C28 | H28 | 119.9° | 119.9° |
| C27 | C28 | H28 | 120.0° | 120.1° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C3 | C2 | C12 | 101.2° | 103.0° |
| C2 | C3 | H3 | 111.3° | 111.1° |
| C2 | C3 | H3A | 111.3° | 111.0° |
| C3 | C2 | H2 | 111.5° | 110.7° |
| C3 | C2 | H2A | 111.5° | 110.9° |
| C12 | C2 | H2 | 111.5° | 110.7° |
| C12 | C2 | H2A | 111.5° | 110.7° |
| C2 | C12 | H12 | 109.9° | 109.9° |
| C25 | C30 | C29 | 121.0° | 120.0° |
| C25 | C30 | H30 | 119.5° | 120.0° |
| C30 | C29 | CL21 | 121.4° | 120.0° |
| C29 | C30 | H30 | 119.5° | 120.0° |
| H4 | C4 | H4A | 109.5° | 110.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| H3 | C3 | H3A | 109.5° | 110.8° |
| H2 | C2 | H2A | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C14 | C12 | 166.8° | 179.7° |
| N1 | C4 | C3 | H4 | 118.5° | 118.7° |
| N1 | C4 | C3 | H4A | 118.6° | 118.9° |
| C4 | N1 | C12 | C7 | 143.0° | 118.5° |
| C4 | N1 | C14 | C15 | 9.4° | 0.0° |
| C4 | N1 | C14 | O32 | 170.8° | 180.0° |
| N1 | C4 | C3 | C2 | 30.7° | 37.0° |
| C4 | N1 | C12 | C2 | 23.8° | 1.1° |
| N1 | C4 | H4 | H4A | 124.2° | 122.3° |
| N1 | C4 | C3 | H3 | 88.1° | 155.1° |
| N1 | C4 | C3 | H3A | 149.4° | 81.1° |
| C4 | N1 | C12 | H12 | 91.6° | 120.5° |
| C14 | N1 | C4 | C3 | 163.2° | 155.6° |
| C14 | N1 | C12 | C7 | 49.5° | 61.7° |
| N1 | C14 | C15 | C1 | 103.9° | 80.0° |
| N1 | C14 | C15 | N | 137.8° | 160.0° |
| N1 | C14 | C15 | O32 | 179.7° | 180.0° |
| C14 | N1 | C12 | C2 | 168.8° | 178.7° |
| C14 | N1 | C4 | H4 | 44.7° | 37.0° |
| C14 | N1 | C4 | H4A | 78.3° | 85.3° |
| N1 | C14 | C15 | H15 | 15.5° | 40.0° |
| C14 | N1 | C12 | H12 | 75.8° | 59.3° |
| C12 | N1 | C4 | C3 | 4.3° | 24.1° |
| N1 | C12 | C7 | C2 | 110.9° | 117.9° |
| N1 | C12 | C7 | H12 | 125.7° | 121.0° |
| N1 | C12 | C7 | N23 | 142.4° | 180.0° |
| N1 | C12 | C7 | O22 | 36.0° | 0.0° |
| C12 | N1 | C14 | C15 | 176.2° | 179.7° |
| C12 | N1 | C14 | O32 | 4.1° | 0.3° |
| N1 | C12 | C2 | C3 | 41.3° | 22.2° |
| N1 | C12 | C2 | H12 | 116.4° | 119.4° |
| C12 | N1 | C4 | H4 | 122.8° | 142.7° |
| C12 | N1 | C4 | H4A | 114.3° | 94.9° |
| N1 | C12 | C2 | H2 | 159.9° | 96.2° |
| N1 | C12 | C2 | H2A | 77.3° | 140.7° |
| C4 | C3 | C2 | H3 | 118.8° | 118.1° |
| C4 | C3 | C2 | H3A | 118.8° | 118.1° |
| C4 | C3 | C2 | C12 | 45.9° | 35.5° |
| C3 | C4 | H4 | H4A | 124.1° | 122.4° |
| C4 | C3 | H3 | H3A | 123.5° | 123.9° |
| C4 | C3 | C2 | H2 | 164.5° | 82.9° |
| C4 | C3 | C2 | H2A | 72.8° | 153.9° |
| C12 | C7 | N23 | O22 | 178.4° | 180.0° |
| C12 | C7 | N23 | C24 | 176.8° | 180.0° |
| C7 | C12 | C2 | C3 | 161.2° | 141.7° |
| C7 | C12 | C2 | H12 | 123.7° | 121.1° |
| C7 | C12 | C2 | H2 | 80.2° | 23.3° |
| C7 | C12 | C2 | H2A | 42.5° | 99.8° |
| C12 | C7 | N23 | HN23 | 3.2° | 0.0° |
| C7 | N23 | C24 | HN23 | 180.0° | 180.0° |
| C7 | N23 | C24 | C25 | 108.3° | 180.0° |
| N23 | C7 | C12 | C2 | 106.6° | 62.1° |
| C7 | N23 | C24 | H24 | 131.2° | 60.0° |
| C7 | N23 | C24 | H24A | 12.2° | 60.0° |
| N23 | C7 | C12 | H12 | 16.7° | 59.0° |
| O22 | C7 | N23 | C24 | 4.8° | 0.0° |
| O22 | C7 | C12 | C2 | 74.9° | 117.9° |
| O22 | C7 | C12 | H12 | 161.8° | 121.0° |
| O22 | C7 | N23 | HN23 | 175.2° | 180.0° |
| C1 | C15 | N | C14 | 118.3° | 120.0° |
| C1 | C15 | N | H15 | 119.6° | 119.9° |
| C1 | C15 | C14 | H15 | 119.4° | 119.9° |
| C15 | C1 | C17 | H1 | 120.0° | 120.0° |
| C15 | C1 | C17 | H1A | 120.0° | 120.0° |
| C1 | C15 | C14 | O32 | 76.4° | 100.0° |
| C15 | C1 | C17 | H17 | 180.0° | 60.0° |
| C15 | C1 | C17 | H17A | 60.0° | 180.0° |
| C15 | C1 | C17 | H17B | 60.0° | 60.0° |
| C15 | C1 | H1 | H1A | 120.0° | 120.0° |
| C1 | C15 | N | HN | 180.0° | 64.0° |
| C1 | C15 | N | HNA | 60.0° | 60.1° |
| N | C15 | C14 | H15 | 122.4° | 120.1° |
| N | C15 | C1 | C17 | 165.7° | 65.0° |
| N | C15 | C14 | O32 | 41.9° | 20.0° |
| N | C15 | C1 | H1 | 74.3° | 175.0° |
| N | C15 | C1 | H1A | 45.7° | 55.0° |
| C15 | N | HN | HNA | 120.0° | 124.0° |
| C14 | C15 | C1 | C17 | 74.3° | 175.0° |
| C14 | C15 | C1 | H1 | 45.8° | 55.0° |
| C14 | C15 | C1 | H1A | 165.8° | 65.1° |
| C14 | C15 | N | HN | 61.7° | 176.1° |
| C14 | C15 | N | HNA | 178.3° | 59.9° |
| C17 | C1 | C15 | H15 | 45.4° | 55.0° |
| C1 | C17 | H17 | H17A | 120.0° | 120.0° |
| C1 | C17 | H17 | H17B | 120.0° | 120.0° |
| C1 | C17 | H17A | H17B | 119.9° | 120.0° |
| C17 | C1 | H1 | H1A | 120.0° | 119.9° |
| N23 | C24 | C25 | H24 | 120.5° | 120.0° |
| N23 | C24 | C25 | H24A | 120.5° | 120.0° |
| N23 | C24 | C25 | C26 | 112.2° | 89.7° |
| N23 | C24 | C25 | C30 | 67.8° | 90.0° |
| N23 | C24 | H24 | H24A | 118.4° | 120.1° |
| C24 | C25 | C26 | C30 | 179.9° | 179.7° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C30 | C29 | 180.0° | 179.7° |
| C25 | C24 | H24 | H24A | 118.4° | 120.0° |
| C24 | C25 | C26 | H26 | 0.0° | 0.0° |
| C25 | C24 | N23 | HN23 | 71.7° | 0.0° |
| C24 | C25 | C30 | H30 | 0.0° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.6° |
| C26 | C25 | C24 | H24 | 127.2° | 150.3° |
| C26 | C25 | C24 | H24A | 8.3° | 30.3° |
| C26 | C25 | C30 | H30 | 179.9° | 179.8° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.1° | 0.3° |
| C26 | C27 | C28 | H28 | 180.0° | 179.7° |
| C29 | C28 | C27 | H28 | 180.0° | 179.7° |
| C28 | C29 | C30 | C25 | 0.1° | 0.6° |
| C28 | C29 | C30 | CL21 | 179.9° | 179.7° |
| C28 | C29 | C30 | H30 | 179.9° | 179.7° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.3° |
| C27 | C28 | C29 | CL21 | 180.0° | 180.0° |
| C28 | C27 | C26 | H26 | 180.0° | 180.0° |
| O32 | C14 | C15 | H15 | 164.3° | 140.0° |
| C3 | C2 | C12 | H2 | 118.6° | 118.3° |
| C3 | C2 | C12 | H2A | 118.6° | 118.6° |
| C2 | C3 | C4 | H4 | 149.2° | 155.7° |
| C2 | C3 | C4 | H4A | 87.9° | 81.9° |
| C2 | C3 | H3 | H3A | 123.5° | 123.9° |
| C3 | C2 | H2 | H2A | 123.8° | 123.3° |
| C3 | C2 | C12 | H12 | 75.1° | 97.2° |
| C12 | C2 | C3 | H3 | 72.9° | 153.6° |
| C12 | C2 | C3 | H3A | 164.6° | 82.6° |
| C12 | C2 | H2 | H2A | 123.9° | 123.1° |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C25 | C30 | C29 | CL21 | 180.0° | 179.7° |
| C30 | C25 | C24 | H24 | 52.7° | 30.0° |
| C30 | C25 | C24 | H24A | 171.6° | 150.0° |
| C30 | C25 | C26 | H26 | 180.0° | 179.7° |
| C30 | C29 | C28 | H28 | 180.0° | 180.0° |
| CL21 | C29 | C28 | H28 | 0.0° | 0.3° |
| CL21 | C29 | C30 | H30 | 0.0° | 0.1° |
| H4 | C4 | C3 | H3 | 30.4° | 86.2° |
| H4 | C4 | C3 | H3A | 92.0° | 37.6° |
| H4A | C4 | C3 | H3 | 153.3° | 36.2° |
| H4A | C4 | C3 | H3A | 30.8° | 160.0° |
| H15 | C15 | C1 | H1 | 165.4° | 65.0° |
| H15 | C15 | C1 | H1A | 74.6° | 174.9° |
| H15 | C15 | N | HN | 60.4° | 56.0° |
| H15 | C15 | N | HNA | 59.7° | 180.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H17 | C17 | C1 | H1 | 60.0° | 60.1° |
| H17 | C17 | C1 | H1A | 60.0° | 180.0° |
| H17A | C17 | C1 | H1 | 180.0° | 60.0° |
| H17A | C17 | C1 | H1A | 60.0° | 60.0° |
| H17B | C17 | C1 | H1 | 60.0° | 180.0° |
| H17B | C17 | C1 | H1A | 180.0° | 60.0° |
| H24 | C24 | N23 | HN23 | 48.8° | 119.9° |
| H24A | C24 | N23 | HN23 | 167.8° | 120.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.1° |
| H28 | C28 | C27 | H27 | 0.0° | 0.3° |
| H3 | C3 | C2 | H2 | 45.7° | 35.2° |
| H3 | C3 | C2 | H2A | 168.4° | 88.0° |
| H3A | C3 | C2 | H2 | 76.7° | 159.0° |
| H3A | C3 | C2 | H2A | 46.0° | 35.8° |
| H2 | C2 | C12 | H12 | 43.5° | 144.5° |
| H2A | C2 | C12 | H12 | 166.2° | 21.4° |
