239
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C17 | doub | 1.30Å | 1.35Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C17 | N19 | sing | 1.38Å | 1.35Å | |
| C17 | C12 | sing | 1.48Å | 1.46Å | |
| N19 | H191 | sing | 0.97Å | 1.02Å | |
| N19 | H192 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.48Å | Aromatic |
| C13 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C23 | sing | 1.48Å | 1.45Å | |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C23 | O35 | doub | 1.22Å | 1.24Å | |
| C23 | N24 | sing | 1.35Å | 1.36Å | |
| N24 | C25 | sing | 1.40Å | 1.41Å | |
| N24 | H24 | sing | 0.97Å | 1.02Å | |
| C25 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C29 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C37 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C37 | N38 | sing | 1.47Å | 1.45Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| N38 | H381 | sing | 1.01Å | 1.02Å | |
| N38 | H382 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N18 | H18 | 117.8° | 120.0° |
| N18 | C17 | N19 | 126.9° | 119.9° |
| N18 | C17 | C12 | 115.3° | 120.0° |
| N19 | C17 | C12 | 117.6° | 120.1° |
| C17 | N19 | H191 | 126.9° | 120.1° |
| C17 | N19 | H192 | 106.0° | 120.0° |
| C17 | C12 | C13 | 124.1° | 119.8° |
| C17 | C12 | C11 | 125.2° | 119.7° |
| H191 | N19 | H192 | 106.2° | 120.0° |
| C13 | C12 | C11 | 110.6° | 120.5° |
| C12 | C13 | C3 | 125.8° | 119.6° |
| C12 | C13 | H13 | 118.4° | 120.2° |
| C12 | C11 | C10 | 127.3° | 120.8° |
| C12 | C11 | H11 | 119.1° | 119.6° |
| C3 | C13 | H13 | 115.8° | 120.2° |
| C13 | C3 | C4 | 118.9° | 120.9° |
| C13 | C3 | C2 | 117.9° | 119.4° |
| C4 | C3 | C2 | 123.0° | 119.7° |
| C3 | C4 | C5 | 114.6° | 120.0° |
| C3 | C4 | H4 | 122.3° | 120.0° |
| C3 | C2 | C1 | 115.8° | 119.4° |
| C3 | C2 | C10 | 123.5° | 119.6° |
| C5 | C4 | H4 | 123.1° | 120.0° |
| C4 | C5 | C6 | 128.8° | 120.9° |
| C4 | C5 | H5 | 115.6° | 119.6° |
| C6 | C5 | H5 | 115.6° | 119.6° |
| C5 | C6 | C1 | 110.6° | 120.5° |
| C5 | C6 | C23 | 123.9° | 119.7° |
| C1 | C6 | C23 | 125.4° | 119.8° |
| C6 | C1 | C2 | 126.9° | 119.5° |
| C6 | C1 | H1 | 116.1° | 120.2° |
| C6 | C23 | O35 | 115.4° | 120.0° |
| C6 | C23 | N24 | 121.0° | 120.1° |
| C2 | C1 | H1 | 117.1° | 120.2° |
| C1 | C2 | C10 | 120.7° | 120.9° |
| C2 | C10 | C11 | 114.8° | 120.0° |
| C2 | C10 | H10 | 122.1° | 120.0° |
| C11 | C10 | H10 | 123.1° | 120.0° |
| C10 | C11 | H11 | 113.6° | 119.6° |
| O35 | C23 | N24 | 123.0° | 119.9° |
| C23 | N24 | C25 | 130.0° | 120.1° |
| C23 | N24 | H24 | 112.8° | 120.0° |
| C25 | N24 | H24 | 117.2° | 120.0° |
| N24 | C25 | C30 | 121.2° | 120.1° |
| N24 | C25 | C26 | 115.9° | 120.1° |
| C30 | C25 | C26 | 122.9° | 119.8° |
| C25 | C30 | C29 | 117.7° | 119.9° |
| C25 | C30 | H30 | 121.2° | 120.0° |
| C25 | C26 | C27 | 119.9° | 119.9° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C29 | C30 | H30 | 121.1° | 120.1° |
| C30 | C29 | C28 | 118.4° | 120.1° |
| C30 | C29 | H29 | 120.6° | 120.0° |
| C28 | C29 | H29 | 121.0° | 119.9° |
| C29 | C28 | C27 | 123.6° | 120.1° |
| C29 | C28 | C37 | 117.5° | 119.9° |
| C27 | C28 | C37 | 118.8° | 120.0° |
| C28 | C27 | C26 | 116.8° | 120.1° |
| C28 | C27 | H27 | 121.7° | 120.0° |
| C28 | C37 | N38 | 112.9° | 109.5° |
| C28 | C37 | H371 | 111.0° | 109.4° |
| C28 | C37 | H372 | 111.0° | 109.6° |
| C26 | C27 | H27 | 121.5° | 119.9° |
| C27 | C26 | H26 | 120.3° | 120.1° |
| N38 | C37 | H371 | 111.0° | 109.4° |
| N38 | C37 | H372 | 111.0° | 109.5° |
| C37 | N38 | H381 | 112.8° | 106.7° |
| C37 | N38 | H382 | 110.9° | 106.7° |
| H371 | C37 | H372 | 99.3° | 109.5° |
| H381 | N38 | H382 | 111.0° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C17 | N19 | C12 | 174.9° | 179.9° |
| N18 | C17 | N19 | H191 | 180.0° | 0.1° |
| N18 | C17 | N19 | H192 | 54.7° | 180.0° |
| N18 | C17 | C12 | C13 | 158.4° | 0.1° |
| N18 | C17 | C12 | C11 | 24.8° | 180.0° |
| H18 | N18 | C17 | N19 | 0.2° | 0.0° |
| H18 | N18 | C17 | C12 | 174.8° | 179.9° |
| C17 | N19 | H191 | H192 | 125.3° | 179.9° |
| N19 | C17 | C12 | C13 | 26.0° | 180.0° |
| N19 | C17 | C12 | C11 | 150.7° | 0.1° |
| C12 | C17 | N19 | H191 | 5.0° | 180.0° |
| C12 | C17 | N19 | H192 | 130.4° | 0.1° |
| C17 | C12 | C13 | C11 | 177.2° | 179.9° |
| C17 | C12 | C13 | C3 | 176.7° | 179.9° |
| C17 | C12 | C13 | H13 | 3.3° | 0.1° |
| C17 | C12 | C11 | C10 | 176.2° | 179.9° |
| C17 | C12 | C11 | H11 | 3.8° | 0.1° |
| C12 | C13 | C3 | H13 | 180.0° | 179.9° |
| C12 | C13 | C3 | C4 | 174.7° | 179.9° |
| C12 | C13 | C3 | C2 | 0.7° | 0.0° |
| C13 | C12 | C11 | C10 | 0.9° | 0.0° |
| C13 | C12 | C11 | H11 | 179.1° | 179.9° |
| C11 | C12 | C13 | C3 | 0.5° | 0.1° |
| C11 | C12 | C13 | H13 | 179.5° | 180.0° |
| C12 | C11 | C10 | C2 | 0.2° | 0.1° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C13 | C3 | C4 | C2 | 175.2° | 180.0° |
| C13 | C3 | C4 | C5 | 176.7° | 180.0° |
| C13 | C3 | C4 | H4 | 3.4° | 0.0° |
| C13 | C3 | C2 | C1 | 179.4° | 179.8° |
| C13 | C3 | C2 | C10 | 1.7° | 0.0° |
| H13 | C13 | C3 | C4 | 5.3° | 0.0° |
| H13 | C13 | C3 | C2 | 179.3° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 4.5° | 0.0° |
| C3 | C4 | C5 | H5 | 175.5° | 179.9° |
| C4 | C3 | C2 | C1 | 4.1° | 0.2° |
| C4 | C3 | C2 | C10 | 173.6° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C2 | C3 | C4 | H4 | 178.6° | 180.0° |
| C3 | C2 | C1 | C6 | 1.6° | 0.5° |
| C3 | C2 | C1 | C10 | 177.7° | 179.8° |
| C3 | C2 | C1 | H1 | 178.4° | 179.8° |
| C3 | C2 | C10 | C11 | 1.2° | 0.1° |
| C3 | C2 | C10 | H10 | 178.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 6.5° | 0.2° |
| C4 | C5 | C6 | C23 | 170.3° | 180.0° |
| H4 | C4 | C5 | C6 | 175.5° | 180.0° |
| H4 | C4 | C5 | H5 | 4.5° | 0.0° |
| C5 | C6 | C1 | C23 | 176.8° | 179.8° |
| C5 | C6 | C1 | C2 | 3.2° | 0.5° |
| C5 | C6 | C1 | H1 | 176.8° | 179.8° |
| C5 | C6 | C23 | O35 | 31.1° | 180.0° |
| C5 | C6 | C23 | N24 | 141.1° | 0.0° |
| H5 | C5 | C6 | C1 | 173.5° | 179.8° |
| H5 | C5 | C6 | C23 | 9.7° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C10 | 176.2° | 179.7° |
| C1 | C6 | C23 | O35 | 152.6° | 0.3° |
| C1 | C6 | C23 | N24 | 35.3° | 179.8° |
| C23 | C6 | C1 | C2 | 173.6° | 179.7° |
| C23 | C6 | C1 | H1 | 6.4° | 0.0° |
| C6 | C23 | O35 | N24 | 171.9° | 179.9° |
| C6 | C23 | N24 | C25 | 176.6° | 174.5° |
| C6 | C23 | N24 | H24 | 3.4° | 5.4° |
| C1 | C2 | C10 | C11 | 178.8° | 179.7° |
| C1 | C2 | C10 | H10 | 1.2° | 0.3° |
| H1 | C1 | C2 | C10 | 3.8° | 0.0° |
| C2 | C10 | C11 | H10 | 180.0° | 179.9° |
| C2 | C10 | C11 | H11 | 179.8° | 180.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| O35 | C23 | N24 | C25 | 5.1° | 5.6° |
| O35 | C23 | N24 | H24 | 174.9° | 174.5° |
| C23 | N24 | C25 | H24 | 180.0° | 179.9° |
| C23 | N24 | C25 | C30 | 27.9° | 146.8° |
| C23 | N24 | C25 | C26 | 150.7° | 33.3° |
| N24 | C25 | C30 | C26 | 178.5° | 179.9° |
| N24 | C25 | C30 | C29 | 178.0° | 180.0° |
| N24 | C25 | C30 | H30 | 2.1° | 0.1° |
| N24 | C25 | C26 | C27 | 175.0° | 179.7° |
| N24 | C25 | C26 | H26 | 5.0° | 0.1° |
| H24 | N24 | C25 | C30 | 152.1° | 33.3° |
| H24 | N24 | C25 | C26 | 29.3° | 146.6° |
| C25 | C30 | C29 | H30 | 180.0° | 179.9° |
| C25 | C30 | C29 | C28 | 4.0° | 0.0° |
| C25 | C30 | C29 | H29 | 176.1° | 179.9° |
| C30 | C25 | C26 | C27 | 6.5° | 0.2° |
| C30 | C25 | C26 | H26 | 173.6° | 180.0° |
| C26 | C25 | C30 | C29 | 0.5° | 0.1° |
| C26 | C25 | C30 | H30 | 179.5° | 180.0° |
| C25 | C26 | C27 | C28 | 9.4° | 0.5° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 170.6° | 180.0° |
| C30 | C29 | C28 | H29 | 179.9° | 179.9° |
| C30 | C29 | C28 | C27 | 0.7° | 0.3° |
| C30 | C29 | C28 | C37 | 178.4° | 180.0° |
| H30 | C30 | C29 | C28 | 176.0° | 179.9° |
| H30 | C30 | C29 | H29 | 4.0° | 0.0° |
| C29 | C28 | C27 | C37 | 177.6° | 179.6° |
| C29 | C28 | C27 | C26 | 6.0° | 0.6° |
| C29 | C28 | C27 | H27 | 173.9° | 180.0° |
| C29 | C28 | C37 | N38 | 80.0° | 90.1° |
| C29 | C28 | C37 | H371 | 45.3° | 150.0° |
| C29 | C28 | C37 | H372 | 154.7° | 30.0° |
| H29 | C29 | C28 | C27 | 179.3° | 179.8° |
| H29 | C29 | C28 | C37 | 1.7° | 0.1° |
| C28 | C27 | C26 | H27 | 179.9° | 179.5° |
| C28 | C27 | C26 | H26 | 170.7° | 179.7° |
| C27 | C28 | C37 | N38 | 97.8° | 90.3° |
| C27 | C28 | C37 | H371 | 136.9° | 29.7° |
| C27 | C28 | C37 | H372 | 27.5° | 149.7° |
| C37 | C28 | C27 | C26 | 171.6° | 179.8° |
| C37 | C28 | C27 | H27 | 8.5° | 0.3° |
| C28 | C37 | N38 | H371 | 125.3° | 119.9° |
| C28 | C37 | N38 | H372 | 125.3° | 120.1° |
| C28 | C37 | H371 | H372 | 116.8° | 120.1° |
| C28 | C37 | N38 | H381 | 180.0° | 180.0° |
| C28 | C37 | N38 | H382 | 54.7° | 66.3° |
| H27 | C27 | C26 | H26 | 9.4° | 0.2° |
| N38 | C37 | H371 | H372 | 116.8° | 120.0° |
| C37 | N38 | H381 | H382 | 125.2° | 113.7° |
| H371 | C37 | N38 | H381 | 54.7° | 60.0° |
| H371 | C37 | N38 | H382 | 70.6° | 173.8° |
| H372 | C37 | N38 | H381 | 54.7° | 59.9° |
| H372 | C37 | N38 | H382 | 180.0° | 53.8° |
