NXZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N1 | sing | 1.49Å | 1.48Å | |
| C5 | N1 | sing | 1.49Å | 1.47Å | |
| N1 | C14 | sing | 1.39Å | 1.38Å | |
| N18 | C2 | sing | 1.47Å | 1.42Å | |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C2 | C5 | sing | 1.54Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N19 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.54Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C12 | C6 | sing | 1.48Å | 1.49Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.45Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | N17 | sing | 1.33Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | N15 | doub | 1.33Å | 1.40Å | Aromatic |
| N15 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | N17 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N18 | HN18 | sing | 1.01Å | 1.00Å | |
| N18 | HN1A | sing | 1.01Å | 1.00Å | |
| C20 | N19 | sing | 1.46Å | 1.49Å | |
| C24 | N19 | sing | 1.33Å | 1.37Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.50Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C5 | 116.6° | 104.3° |
| C4 | N1 | C14 | 118.3° | 111.0° |
| N1 | C4 | C3 | 97.5° | 104.6° |
| N1 | C4 | H4 | 113.7° | 110.4° |
| N1 | C4 | H4A | 113.7° | 110.4° |
| C5 | N1 | C14 | 125.1° | 111.0° |
| N1 | C5 | C2 | 100.0° | 104.6° |
| N1 | C5 | H5 | 112.8° | 110.4° |
| N1 | C5 | H5A | 112.8° | 110.4° |
| N1 | C14 | C13 | 123.1° | 120.5° |
| N1 | C14 | N15 | 119.1° | 120.4° |
| N18 | C2 | C3 | 109.4° | 110.3° |
| N18 | C2 | C5 | 112.3° | 110.3° |
| N18 | C2 | H2 | 105.7° | 110.4° |
| C2 | N18 | HN18 | 109.5° | 111.0° |
| C2 | N18 | HN1A | 109.4° | 111.1° |
| C3 | C2 | C5 | 102.8° | 105.1° |
| C3 | C2 | H2 | 114.7° | 110.3° |
| C2 | C3 | N19 | 114.7° | 110.3° |
| C2 | C3 | C4 | 105.9° | 105.0° |
| C2 | C3 | H3 | 110.0° | 110.3° |
| C5 | C2 | H2 | 112.0° | 110.4° |
| C2 | C5 | H5 | 112.8° | 110.5° |
| C2 | C5 | H5A | 112.8° | 110.4° |
| N19 | C3 | C4 | 113.7° | 110.4° |
| N19 | C3 | H3 | 101.6° | 110.3° |
| C3 | N19 | C20 | 116.3° | 118.0° |
| C3 | N19 | C24 | 116.3° | 117.9° |
| C4 | C3 | H3 | 111.0° | 110.4° |
| C3 | C4 | H4 | 113.7° | 110.4° |
| C3 | C4 | H4A | 113.7° | 110.4° |
| H4 | C4 | H4A | 104.9° | 110.5° |
| H5 | C5 | H5A | 106.0° | 110.5° |
| C12 | C6 | C11 | 120.1° | 120.1° |
| C12 | C6 | C7 | 119.3° | 120.1° |
| C6 | C12 | C13 | 121.2° | 120.5° |
| C6 | C12 | N17 | 118.2° | 120.5° |
| C11 | C6 | C7 | 120.6° | 119.8° |
| C6 | C11 | C10 | 119.7° | 119.9° |
| C6 | C11 | H11 | 120.2° | 120.1° |
| C6 | C7 | C8 | 119.7° | 119.8° |
| C6 | C7 | H7 | 120.1° | 120.1° |
| C8 | C7 | H7 | 120.2° | 120.1° |
| C7 | C8 | C9 | 119.0° | 120.1° |
| C7 | C8 | H8 | 120.5° | 119.9° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C8 | C9 | C10 | 122.1° | 120.3° |
| C8 | C9 | H9 | 118.9° | 119.9° |
| C10 | C9 | H9 | 119.0° | 119.9° |
| C9 | C10 | C11 | 118.9° | 120.1° |
| C9 | C10 | H10 | 120.6° | 119.9° |
| C11 | C10 | H10 | 120.6° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C13 | C12 | N17 | 120.6° | 119.0° |
| C12 | C13 | C14 | 117.8° | 118.2° |
| C12 | C13 | H13 | 121.1° | 120.9° |
| C12 | N17 | C16 | 121.2° | 120.9° |
| C14 | C13 | H13 | 121.1° | 120.9° |
| C13 | C14 | N15 | 117.8° | 119.0° |
| C14 | N15 | C16 | 124.1° | 120.9° |
| N15 | C16 | N17 | 118.5° | 121.9° |
| N15 | C16 | H16 | 120.8° | 119.0° |
| N17 | C16 | H16 | 120.8° | 119.1° |
| HN18 | N18 | HN1A | 109.4° | 111.0° |
| C20 | N19 | C24 | 127.4° | 124.1° |
| N19 | C20 | C21 | 113.6° | 110.5° |
| N19 | C20 | H20 | 108.1° | 109.4° |
| N19 | C20 | H20A | 108.1° | 109.3° |
| N19 | C24 | C23 | 118.6° | 123.5° |
| N19 | C24 | O25 | 122.8° | 118.3° |
| C21 | C20 | H20 | 108.1° | 109.3° |
| C21 | C20 | H20A | 108.1° | 109.1° |
| C20 | C21 | C22 | 113.3° | 108.7° |
| C20 | C21 | H21 | 108.2° | 109.7° |
| C20 | C21 | H21A | 108.2° | 109.6° |
| H20 | C20 | H20A | 110.8° | 109.3° |
| C22 | C21 | H21 | 108.2° | 109.6° |
| C22 | C21 | H21A | 108.2° | 109.7° |
| C21 | C22 | C23 | 113.3° | 108.5° |
| C21 | C22 | H22 | 108.2° | 109.7° |
| C21 | C22 | H22A | 108.2° | 109.7° |
| H21 | C21 | H21A | 110.7° | 109.6° |
| C23 | C22 | H22 | 108.2° | 109.6° |
| C23 | C22 | H22A | 108.2° | 109.7° |
| C22 | C23 | C24 | 114.9° | 109.9° |
| C22 | C23 | H23 | 107.7° | 109.4° |
| C22 | C23 | H23A | 107.7° | 109.4° |
| H22 | C22 | H22A | 110.6° | 109.7° |
| C24 | C23 | H23 | 107.7° | 109.5° |
| C24 | C23 | H23A | 107.7° | 109.2° |
| C23 | C24 | O25 | 118.4° | 118.2° |
| H23 | C23 | H23A | 111.2° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C5 | C14 | 179.4° | 119.6° |
| N1 | C4 | C3 | C2 | 36.4° | 23.8° |
| C4 | N1 | C5 | C2 | 6.1° | 39.5° |
| N1 | C4 | C3 | N19 | 163.2° | 95.0° |
| N1 | C4 | C3 | H4 | 120.0° | 118.8° |
| N1 | C4 | C3 | H4A | 120.0° | 118.8° |
| N1 | C4 | C3 | H3 | 83.0° | 142.8° |
| N1 | C4 | H4 | H4A | 124.8° | 122.4° |
| C4 | N1 | C5 | H5 | 113.9° | 79.3° |
| C4 | N1 | C5 | H5A | 126.1° | 158.3° |
| C4 | N1 | C14 | C13 | 179.3° | 180.0° |
| C4 | N1 | C14 | N15 | 0.9° | 0.0° |
| N1 | C5 | C2 | N18 | 145.9° | 142.7° |
| N1 | C5 | C2 | C3 | 28.4° | 23.9° |
| N1 | C5 | C2 | H5 | 120.0° | 118.8° |
| N1 | C5 | C2 | H5A | 120.0° | 118.7° |
| N1 | C5 | C2 | H2 | 95.3° | 95.0° |
| C5 | N1 | C4 | C3 | 18.6° | 39.5° |
| C5 | N1 | C4 | H4 | 101.4° | 158.3° |
| C5 | N1 | C4 | H4A | 138.6° | 79.3° |
| N1 | C5 | H5 | H5A | 123.8° | 122.4° |
| C5 | N1 | C14 | C13 | 0.1° | 64.5° |
| C5 | N1 | C14 | N15 | 179.6° | 115.4° |
| C14 | N1 | C5 | C2 | 173.4° | 159.1° |
| C14 | N1 | C4 | C3 | 161.9° | 159.1° |
| C14 | N1 | C4 | H4 | 78.1° | 82.2° |
| C14 | N1 | C4 | H4A | 41.9° | 40.3° |
| C14 | N1 | C5 | H5 | 66.6° | 40.3° |
| C14 | N1 | C5 | H5A | 53.4° | 82.2° |
| N1 | C14 | C13 | C12 | 179.4° | 180.0° |
| N1 | C14 | C13 | N15 | 179.8° | 179.9° |
| N1 | C14 | C13 | H13 | 0.6° | 0.0° |
| N1 | C14 | N15 | C16 | 178.2° | 179.9° |
| N18 | C2 | C3 | C5 | 119.6° | 118.9° |
| N18 | C2 | C3 | H2 | 118.6° | 122.2° |
| N18 | C2 | C5 | H2 | 118.8° | 122.2° |
| N18 | C2 | C3 | N19 | 71.5° | 122.2° |
| N18 | C2 | C3 | C4 | 162.3° | 118.9° |
| N18 | C2 | C3 | H3 | 42.2° | 0.0° |
| N18 | C2 | C5 | H5 | 25.9° | 24.0° |
| N18 | C2 | C5 | H5A | 94.2° | 98.6° |
| C2 | N18 | HN18 | HN1A | 120.0° | 124.0° |
| C3 | C2 | C5 | H2 | 123.7° | 118.9° |
| C2 | C3 | N19 | C4 | 122.1° | 115.6° |
| C2 | C3 | N19 | H3 | 118.6° | 122.2° |
| C2 | C3 | C4 | H3 | 119.4° | 118.9° |
| C2 | C3 | C4 | H4 | 83.6° | 142.6° |
| C2 | C3 | C4 | H4A | 156.4° | 94.9° |
| C3 | C2 | C5 | H5 | 91.6° | 94.9° |
| C3 | C2 | C5 | H5A | 148.3° | 142.6° |
| C3 | C2 | N18 | HN18 | 180.0° | 179.9° |
| C3 | C2 | N18 | HN1A | 60.0° | 56.1° |
| C2 | C3 | N19 | C20 | 73.2° | 120.1° |
| C2 | C3 | N19 | C24 | 104.1° | 59.8° |
| C5 | C2 | C3 | N19 | 168.9° | 118.9° |
| C5 | C2 | C3 | C4 | 42.7° | 0.0° |
| C5 | C2 | C3 | H3 | 77.4° | 118.9° |
| C2 | C5 | H5 | H5A | 123.8° | 122.5° |
| C5 | C2 | N18 | HN18 | 66.5° | 64.3° |
| C5 | C2 | N18 | HN1A | 173.6° | 171.7° |
| H2 | C2 | C3 | N19 | 47.1° | 0.0° |
| H2 | C2 | C3 | C4 | 79.1° | 118.9° |
| H2 | C2 | C3 | H3 | 160.8° | 122.1° |
| H2 | C2 | C5 | H5 | 144.7° | 146.2° |
| H2 | C2 | C5 | H5A | 24.6° | 23.7° |
| H2 | C2 | N18 | HN18 | 55.9° | 57.9° |
| H2 | C2 | N18 | HN1A | 64.1° | 66.0° |
| N19 | C3 | C4 | H3 | 113.8° | 122.2° |
| N19 | C3 | C4 | H4 | 43.2° | 23.7° |
| N19 | C3 | C4 | H4A | 76.8° | 146.2° |
| C3 | N19 | C20 | C24 | 176.9° | 179.8° |
| C3 | N19 | C20 | C21 | 160.9° | 161.0° |
| C3 | N19 | C20 | H20 | 40.9° | 78.7° |
| C3 | N19 | C20 | H20A | 79.1° | 40.9° |
| C3 | N19 | C24 | C23 | 168.8° | 178.1° |
| C3 | N19 | C24 | O25 | 6.5° | 2.4° |
| C3 | C4 | H4 | H4A | 124.8° | 122.4° |
| C4 | C3 | N19 | C20 | 48.9° | 124.3° |
| C4 | C3 | N19 | C24 | 133.8° | 55.8° |
| H3 | C3 | C4 | H4 | 157.0° | 98.5° |
| H3 | C3 | C4 | H4A | 37.0° | 24.0° |
| H3 | C3 | N19 | C20 | 168.3° | 2.1° |
| H3 | C3 | N19 | C24 | 14.5° | 178.1° |
| C12 | C6 | C11 | C7 | 179.7° | 179.7° |
| C12 | C6 | C7 | C8 | 179.4° | 179.7° |
| C12 | C6 | C7 | H7 | 0.6° | 0.4° |
| C12 | C6 | C11 | C10 | 179.8° | 179.7° |
| C12 | C6 | C11 | H11 | 0.2° | 0.3° |
| C6 | C12 | C13 | N17 | 180.0° | 179.8° |
| C6 | C12 | C13 | C14 | 179.6° | 180.0° |
| C6 | C12 | C13 | H13 | 0.5° | 0.0° |
| C6 | C12 | N17 | C16 | 179.8° | 179.7° |
| C11 | C6 | C7 | C8 | 0.8° | 0.1° |
| C11 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C11 | C10 | C9 | 0.6° | 0.1° |
| C6 | C11 | C10 | H11 | 180.0° | 179.9° |
| C6 | C11 | C10 | H10 | 179.4° | 179.9° |
| C11 | C6 | C12 | C13 | 0.6° | 0.1° |
| C11 | C6 | C12 | N17 | 179.4° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.0° | 0.0° |
| C6 | C7 | C8 | H8 | 179.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.1° |
| C7 | C6 | C11 | H11 | 179.9° | 180.0° |
| C7 | C6 | C12 | C13 | 179.6° | 179.7° |
| C7 | C6 | C12 | N17 | 0.4° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| H7 | C7 | C8 | C9 | 179.1° | 180.0° |
| H7 | C7 | C8 | H8 | 1.0° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| H8 | C8 | C9 | C10 | 179.7° | 180.0° |
| H8 | C8 | C9 | H9 | 0.3° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.4° | 180.0° |
| H9 | C9 | C10 | C11 | 179.5° | 179.9° |
| H9 | C9 | C10 | H10 | 0.5° | 0.0° |
| H10 | C10 | C11 | H11 | 0.6° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 0.4° | 0.0° |
| C13 | C12 | N17 | C16 | 0.2° | 0.5° |
| N17 | C12 | C13 | C14 | 0.4° | 0.2° |
| N17 | C12 | C13 | H13 | 179.5° | 179.8° |
| C12 | N17 | C16 | N15 | 0.9° | 0.5° |
| C12 | N17 | C16 | H16 | 179.0° | 179.7° |
| C13 | C14 | N15 | C16 | 1.6° | 0.0° |
| H13 | C13 | C14 | N15 | 179.7° | 180.0° |
| C14 | N15 | C16 | N17 | 1.9° | 0.3° |
| C14 | N15 | C16 | H16 | 178.1° | 180.0° |
| N15 | C16 | N17 | H16 | 180.0° | 179.7° |
| N19 | C20 | C21 | H20 | 120.0° | 120.4° |
| N19 | C20 | C21 | H20A | 120.0° | 120.2° |
| N19 | C20 | H20 | H20A | 118.3° | 119.6° |
| N19 | C20 | C21 | C22 | 35.7° | 50.7° |
| N19 | C20 | C21 | H21 | 84.4° | 170.5° |
| N19 | C20 | C21 | H21A | 155.6° | 69.1° |
| C20 | N19 | C24 | C23 | 8.0° | 1.8° |
| C20 | N19 | C24 | O25 | 176.6° | 177.8° |
| C24 | N19 | C20 | C21 | 16.0° | 18.8° |
| C24 | N19 | C20 | H20 | 135.9° | 101.5° |
| C24 | N19 | C20 | H20A | 104.0° | 138.9° |
| N19 | C24 | C23 | C22 | 20.7° | 17.1° |
| N19 | C24 | C23 | O25 | 175.5° | 179.6° |
| N19 | C24 | C23 | H23 | 99.3° | 137.4° |
| N19 | C24 | C23 | H23A | 140.7° | 102.9° |
| C21 | C20 | H20 | H20A | 118.3° | 119.3° |
| C20 | C21 | C22 | H21 | 120.0° | 119.9° |
| C20 | C21 | C22 | H21A | 120.0° | 119.8° |
| C20 | C21 | H21 | H21A | 118.5° | 120.3° |
| C20 | C21 | C22 | C23 | 49.4° | 67.5° |
| C20 | C21 | C22 | H22 | 169.4° | 52.2° |
| C20 | C21 | C22 | H22A | 70.6° | 172.7° |
| H20 | C20 | C21 | C22 | 155.7° | 69.6° |
| H20 | C20 | C21 | H21 | 35.7° | 50.2° |
| H20 | C20 | C21 | H21A | 84.3° | 170.5° |
| H20A | C20 | C21 | C22 | 84.3° | 170.9° |
| H20A | C20 | C21 | H21 | 155.7° | 69.3° |
| H20A | C20 | C21 | H21A | 35.7° | 51.1° |
| C22 | C21 | H21 | H21A | 118.4° | 120.5° |
| C21 | C22 | C23 | H22 | 120.0° | 119.7° |
| C21 | C22 | C23 | H22A | 120.0° | 119.8° |
| C21 | C22 | H22 | H22A | 118.5° | 120.6° |
| C21 | C22 | C23 | C24 | 41.3° | 48.7° |
| C21 | C22 | C23 | H23 | 78.7° | 169.0° |
| C21 | C22 | C23 | H23A | 161.3° | 71.2° |
| H21 | C21 | C22 | C23 | 70.6° | 172.6° |
| H21 | C21 | C22 | H22 | 49.5° | 67.6° |
| H21 | C21 | C22 | H22A | 169.4° | 52.9° |
| H21A | C21 | C22 | C23 | 169.4° | 52.3° |
| H21A | C21 | C22 | H22 | 70.5° | 172.0° |
| H21A | C21 | C22 | H22A | 49.4° | 67.5° |
| C23 | C22 | H22 | H22A | 118.4° | 120.5° |
| C22 | C23 | C24 | H23 | 120.0° | 120.2° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23A | 117.7° | 119.8° |
| C22 | C23 | C24 | O25 | 163.8° | 162.4° |
| H22 | C22 | C23 | C24 | 161.3° | 71.0° |
| H22 | C22 | C23 | H23 | 41.3° | 49.3° |
| H22 | C22 | C23 | H23A | 78.7° | 169.0° |
| H22A | C22 | C23 | C24 | 78.7° | 168.5° |
| H22A | C22 | C23 | H23 | 161.2° | 71.2° |
| H22A | C22 | C23 | H23A | 41.3° | 48.6° |
| C24 | C23 | H23 | H23A | 117.8° | 119.7° |
| H23 | C23 | C24 | O25 | 76.2° | 42.2° |
| H23A | C23 | C24 | O25 | 43.8° | 77.5° |
