NTW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | doub | 1.22Å | 1.22Å | |
| N16 | C14 | sing | 1.35Å | 1.35Å | |
| N16 | C18 | sing | 1.37Å | 1.39Å | |
| C14 | C13 | sing | 1.41Å | 1.41Å | |
| C18 | N19 | sing | 1.35Å | 1.30Å | Aromatic |
| C18 | C24 | doub | 1.40Å | 1.49Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.37Å | |
| N19 | N20 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C24 | C12 | sing | 1.41Å | 1.49Å | |
| C24 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C8 | sing | 1.51Å | 1.52Å | |
| N20 | C22 | doub | 1.30Å | 1.34Å | Aromatic |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.47Å | 1.40Å | |
| C2 | N1 | trip | 1.14Å | 1.14Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | N16 | 119.5° | 119.6° |
| O15 | C14 | C13 | 118.2° | 119.6° |
| C14 | N16 | C18 | 120.3° | 120.6° |
| N16 | C14 | C13 | 122.3° | 120.9° |
| C14 | N16 | H17 | 119.9° | 119.7° |
| N16 | C18 | N19 | 131.8° | 133.2° |
| N16 | C18 | C24 | 120.3° | 119.9° |
| C18 | N16 | H17 | 119.9° | 119.7° |
| C14 | C13 | C12 | 122.4° | 119.9° |
| C14 | C13 | H16 | 118.8° | 120.0° |
| N19 | C18 | C24 | 107.9° | 106.9° |
| C18 | N19 | N20 | 109.0° | 108.5° |
| C18 | N19 | H18 | 125.5° | 125.7° |
| C18 | C24 | C12 | 117.0° | 119.5° |
| C18 | C24 | C22 | 104.7° | 107.1° |
| C13 | C12 | C24 | 117.8° | 119.2° |
| C13 | C12 | C8 | 118.7° | 120.4° |
| C12 | C13 | H16 | 118.8° | 120.1° |
| N19 | N20 | C22 | 110.4° | 109.4° |
| N20 | N19 | H18 | 125.5° | 125.8° |
| C6 | C7 | C8 | 107.7° | 109.4° |
| C7 | C6 | C4 | 110.3° | 109.5° |
| C7 | C6 | H4 | 109.3° | 109.4° |
| C7 | C6 | H5 | 109.2° | 109.5° |
| C6 | C7 | H6 | 109.9° | 109.4° |
| C6 | C7 | H7 | 109.9° | 109.5° |
| C7 | C8 | C12 | 111.1° | 109.4° |
| C7 | C8 | C10 | 108.1° | 109.5° |
| C8 | C7 | H6 | 109.9° | 109.4° |
| C8 | C7 | H7 | 109.9° | 109.5° |
| C7 | C8 | H8 | 108.2° | 109.5° |
| C12 | C24 | C22 | 138.4° | 133.4° |
| C24 | C12 | C8 | 123.6° | 120.4° |
| C24 | C22 | N20 | 108.0° | 108.2° |
| C24 | C22 | C23 | 131.6° | 125.9° |
| C12 | C8 | C10 | 112.9° | 109.5° |
| C12 | C8 | H8 | 108.3° | 109.4° |
| N20 | C22 | C23 | 120.4° | 125.9° |
| C6 | C4 | C3 | 109.8° | 109.4° |
| C6 | C4 | C11 | 108.6° | 109.5° |
| C6 | C4 | H3 | 109.5° | 109.5° |
| C4 | C6 | H4 | 109.2° | 109.5° |
| C4 | C6 | H5 | 109.3° | 109.5° |
| C22 | C23 | H11 | 109.5° | 109.5° |
| C22 | C23 | H12 | 109.4° | 109.5° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| C8 | C10 | C11 | 110.7° | 109.4° |
| C10 | C8 | H8 | 108.1° | 109.5° |
| C8 | C10 | H14 | 109.1° | 109.5° |
| C8 | C10 | H15 | 109.2° | 109.4° |
| C3 | C4 | C11 | 110.0° | 109.5° |
| C4 | C3 | C2 | 113.4° | 109.5° |
| C4 | C3 | H1 | 108.5° | 109.4° |
| C4 | C3 | H2 | 108.5° | 109.4° |
| C3 | C4 | H3 | 109.5° | 109.4° |
| C4 | C11 | C10 | 110.3° | 109.5° |
| C11 | C4 | H3 | 109.5° | 109.5° |
| C4 | C11 | H9 | 109.2° | 109.5° |
| C4 | C11 | H10 | 109.3° | 109.5° |
| C10 | C11 | H9 | 109.2° | 109.4° |
| C10 | C11 | H10 | 109.2° | 109.5° |
| C11 | C10 | H14 | 109.2° | 109.5° |
| C11 | C10 | H15 | 109.2° | 109.5° |
| C3 | C2 | N1 | 175.1° | 179.9° |
| C2 | C3 | H1 | 108.5° | 109.5° |
| C2 | C3 | H2 | 108.5° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | N16 | C13 | 179.5° | 179.9° |
| O15 | C14 | N16 | C18 | 179.8° | 179.8° |
| O15 | C14 | C13 | C12 | 180.0° | 180.0° |
| O15 | C14 | C13 | H16 | 0.0° | 0.1° |
| O15 | C14 | N16 | H17 | 0.2° | 0.1° |
| C14 | N16 | C18 | H17 | 180.0° | 179.7° |
| C14 | N16 | C18 | N19 | 179.5° | 179.6° |
| C14 | N16 | C18 | C24 | 0.3° | 0.3° |
| N16 | C14 | C13 | C12 | 0.5° | 0.0° |
| N16 | C14 | C13 | H16 | 179.5° | 180.0° |
| C18 | N16 | C14 | C13 | 0.7° | 0.3° |
| N16 | C18 | N19 | C24 | 179.8° | 179.9° |
| N16 | C18 | N19 | N20 | 179.5° | 180.0° |
| N16 | C18 | C24 | C12 | 0.3° | 0.0° |
| N16 | C18 | C24 | C22 | 179.5° | 180.0° |
| N16 | C18 | N19 | H18 | 0.5° | 0.0° |
| C14 | C13 | C12 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | C24 | 0.1° | 0.2° |
| C14 | C13 | C12 | C8 | 179.6° | 180.0° |
| C13 | C14 | N16 | H17 | 179.3° | 180.0° |
| C18 | N19 | N20 | H18 | 180.0° | 180.0° |
| N19 | C18 | C24 | C12 | 179.8° | 179.9° |
| N19 | C18 | C24 | C22 | 0.3° | 0.0° |
| C18 | N19 | N20 | C22 | 0.1° | 0.0° |
| N19 | C18 | N16 | H17 | 0.5° | 0.0° |
| C18 | C24 | C12 | C13 | 0.5° | 0.3° |
| C24 | C18 | N19 | N20 | 0.3° | 0.0° |
| C18 | C24 | C12 | C22 | 179.8° | 179.9° |
| C18 | C24 | C12 | C8 | 179.2° | 180.0° |
| C18 | C24 | C22 | N20 | 0.2° | 0.0° |
| C18 | C24 | C22 | C23 | 179.8° | 180.0° |
| C24 | C18 | N16 | H17 | 179.7° | 180.0° |
| C24 | C18 | N19 | H18 | 179.7° | 179.9° |
| C13 | C12 | C8 | C7 | 62.0° | 16.7° |
| C13 | C12 | C24 | C8 | 179.7° | 179.7° |
| C13 | C12 | C24 | C22 | 179.3° | 179.7° |
| C13 | C12 | C8 | C10 | 59.7° | 103.3° |
| C13 | C12 | C8 | H8 | 179.4° | 136.7° |
| N19 | N20 | C22 | C24 | 0.1° | 0.0° |
| N19 | N20 | C22 | C23 | 179.7° | 180.0° |
| C6 | C7 | C8 | H6 | 119.7° | 119.9° |
| C6 | C7 | C8 | H7 | 119.7° | 120.0° |
| C6 | C7 | C8 | C12 | 173.5° | 180.0° |
| C7 | C6 | C4 | H4 | 120.1° | 120.0° |
| C7 | C6 | C4 | H5 | 120.1° | 120.0° |
| C6 | C7 | C8 | C10 | 62.0° | 60.0° |
| C7 | C6 | C4 | C3 | 178.8° | 180.0° |
| C7 | C6 | C4 | C11 | 61.0° | 60.0° |
| C7 | C6 | C4 | H3 | 58.5° | 60.1° |
| C7 | C6 | H4 | H5 | 119.6° | 119.9° |
| C6 | C7 | H6 | H7 | 120.8° | 120.0° |
| C6 | C7 | C8 | H8 | 54.8° | 60.1° |
| C7 | C8 | C12 | C24 | 118.4° | 163.6° |
| C7 | C8 | C12 | C10 | 121.7° | 120.0° |
| C7 | C8 | C12 | H8 | 118.7° | 120.0° |
| C8 | C7 | C6 | C4 | 63.9° | 60.0° |
| C7 | C8 | C10 | H8 | 116.9° | 120.1° |
| C7 | C8 | C10 | C11 | 60.1° | 60.0° |
| C8 | C7 | C6 | H4 | 56.2° | 180.0° |
| C8 | C7 | C6 | H5 | 175.9° | 60.1° |
| C8 | C7 | H6 | H7 | 120.8° | 120.1° |
| C7 | C8 | C10 | H14 | 60.1° | 60.0° |
| C7 | C8 | C10 | H15 | 179.7° | 180.0° |
| C12 | C24 | C22 | N20 | 180.0° | 180.0° |
| C12 | C24 | C22 | C23 | 0.4° | 0.1° |
| C24 | C12 | C8 | C10 | 119.9° | 76.4° |
| C24 | C12 | C8 | H8 | 0.3° | 43.6° |
| C24 | C12 | C13 | H16 | 179.9° | 179.7° |
| C22 | C24 | C12 | C8 | 1.1° | 0.0° |
| C24 | C22 | N20 | C23 | 179.7° | 180.0° |
| C24 | C22 | C23 | H11 | 179.6° | 84.0° |
| C24 | C22 | C23 | H12 | 60.4° | 156.0° |
| C24 | C22 | C23 | H13 | 59.6° | 36.0° |
| C12 | C8 | C10 | H8 | 119.7° | 120.0° |
| C12 | C8 | C10 | C11 | 176.5° | 180.0° |
| C12 | C8 | C7 | H6 | 66.7° | 60.1° |
| C12 | C8 | C7 | H7 | 53.8° | 60.0° |
| C12 | C8 | C10 | H14 | 63.3° | 60.0° |
| C12 | C8 | C10 | H15 | 56.3° | 60.0° |
| C8 | C12 | C13 | H16 | 0.4° | 0.0° |
| N20 | C22 | C23 | H11 | 0.0° | 96.1° |
| N20 | C22 | C23 | H12 | 120.0° | 23.9° |
| N20 | C22 | C23 | H13 | 120.0° | 144.0° |
| C22 | N20 | N19 | H18 | 179.8° | 179.9° |
| C6 | C4 | C3 | C11 | 119.4° | 120.0° |
| C6 | C4 | C3 | H3 | 120.3° | 120.0° |
| C6 | C4 | C11 | H3 | 119.5° | 120.1° |
| C6 | C4 | C11 | C10 | 57.2° | 60.0° |
| C6 | C4 | C3 | C2 | 155.1° | 65.0° |
| C6 | C4 | C3 | H1 | 84.4° | 55.0° |
| C6 | C4 | C3 | H2 | 34.5° | 175.0° |
| C4 | C6 | H4 | H5 | 119.6° | 120.0° |
| C4 | C6 | C7 | H6 | 55.8° | 60.0° |
| C4 | C6 | C7 | H7 | 176.3° | 180.0° |
| C6 | C4 | C11 | H9 | 62.9° | 59.9° |
| C6 | C4 | C11 | H10 | 177.3° | 180.0° |
| C22 | C23 | H11 | H12 | 120.0° | 120.0° |
| C22 | C23 | H11 | H13 | 120.0° | 120.0° |
| C22 | C23 | H12 | H13 | 120.0° | 120.0° |
| C8 | C10 | C11 | C4 | 58.0° | 60.0° |
| C8 | C10 | C11 | H14 | 120.2° | 120.0° |
| C8 | C10 | C11 | H15 | 120.2° | 120.0° |
| C10 | C8 | C7 | H6 | 57.7° | 59.9° |
| C10 | C8 | C7 | H7 | 178.3° | 180.0° |
| C8 | C10 | C11 | H9 | 62.1° | 60.0° |
| C8 | C10 | C11 | H10 | 178.1° | 180.0° |
| C8 | C10 | H14 | H15 | 119.4° | 120.0° |
| C3 | C4 | C11 | H3 | 120.3° | 120.0° |
| C3 | C4 | C11 | C10 | 177.3° | 180.0° |
| C4 | C3 | C2 | H1 | 120.6° | 120.0° |
| C4 | C3 | C2 | H2 | 120.6° | 120.0° |
| C4 | C3 | C2 | N1 | 22.2° | 61.0° |
| C4 | C3 | H1 | H2 | 118.2° | 120.0° |
| C3 | C4 | C6 | H4 | 61.1° | 60.0° |
| C3 | C4 | C6 | H5 | 58.7° | 60.0° |
| C3 | C4 | C11 | H9 | 57.2° | 60.0° |
| C3 | C4 | C11 | H10 | 62.6° | 60.0° |
| C4 | C11 | C10 | H9 | 120.1° | 120.0° |
| C4 | C11 | C10 | H10 | 120.1° | 120.0° |
| C11 | C4 | C3 | C2 | 85.5° | 175.0° |
| C11 | C4 | C3 | H1 | 35.0° | 65.0° |
| C11 | C4 | C3 | H2 | 153.9° | 55.0° |
| C11 | C4 | C6 | H4 | 59.2° | 180.0° |
| C11 | C4 | C6 | H5 | 178.9° | 60.0° |
| C4 | C11 | H9 | H10 | 119.6° | 120.0° |
| C4 | C11 | C10 | H14 | 62.2° | 60.0° |
| C4 | C11 | C10 | H15 | 178.2° | 180.0° |
| C10 | C11 | C4 | H3 | 62.4° | 60.0° |
| C11 | C10 | C8 | H8 | 56.8° | 60.0° |
| C10 | C11 | H9 | H10 | 119.6° | 120.0° |
| C11 | C10 | H14 | H15 | 119.5° | 120.0° |
| C2 | C3 | H1 | H2 | 118.2° | 120.0° |
| C2 | C3 | C4 | H3 | 34.8° | 55.0° |
| N1 | C2 | C3 | H1 | 142.7° | 59.0° |
| N1 | C2 | C3 | H2 | 98.4° | 179.0° |
| H1 | C3 | C4 | H3 | 155.3° | 175.0° |
| H2 | C3 | C4 | H3 | 85.8° | 65.0° |
| H3 | C4 | C6 | H4 | 178.7° | 60.0° |
| H3 | C4 | C6 | H5 | 61.6° | 179.9° |
| H3 | C4 | C11 | H9 | 177.5° | 180.0° |
| H3 | C4 | C11 | H10 | 57.8° | 60.0° |
| H4 | C6 | C7 | H6 | 175.9° | 60.1° |
| H4 | C6 | C7 | H7 | 63.5° | 59.9° |
| H5 | C6 | C7 | H6 | 64.3° | 180.0° |
| H5 | C6 | C7 | H7 | 56.2° | 60.0° |
| H6 | C7 | C8 | H8 | 174.5° | 180.0° |
| H7 | C7 | C8 | H8 | 64.9° | 60.0° |
| H8 | C8 | C10 | H14 | 177.0° | 179.9° |
| H8 | C8 | C10 | H15 | 63.4° | 60.0° |
| H9 | C11 | C10 | H14 | 177.7° | 180.0° |
| H9 | C11 | C10 | H15 | 58.0° | 60.0° |
| H10 | C11 | C10 | H14 | 57.9° | 60.0° |
| H10 | C11 | C10 | H15 | 61.7° | 60.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
