ZRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| N | C6 | sing | 1.40Å | 1.38Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C9 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C14 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | N3 | sing | 1.38Å | 1.39Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C17 | sing | 1.40Å | 1.45Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.47Å | 1.49Å | |
| C15 | O | doub | 1.22Å | 1.24Å | |
| C15 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C16 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| N | H21 | sing | 0.97Å | 1.00Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C5 | C4 | 112.5° | 109.5° |
| C5 | N | C6 | 120.1° | 120.0° |
| C5 | N | H21 | 106.7° | 120.0° |
| N | C5 | H22 | 108.7° | 109.5° |
| N | C5 | H23 | 108.7° | 109.5° |
| C5 | C4 | C3 | 115.8° | 109.5° |
| C4 | C5 | H22 | 108.7° | 109.5° |
| C4 | C5 | H23 | 108.7° | 109.4° |
| C5 | C4 | H24 | 107.9° | 109.4° |
| C5 | C4 | H25 | 107.9° | 109.5° |
| C3 | C2 | C1 | 112.5° | 109.4° |
| C2 | C3 | C4 | 113.5° | 109.4° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.5° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C2 | C1 | C | 114.7° | 109.5° |
| C2 | C1 | H1 | 108.2° | 109.5° |
| C2 | C1 | H2 | 108.1° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.4° |
| C4 | C3 | H5 | 108.5° | 109.4° |
| C4 | C3 | H6 | 108.5° | 109.5° |
| C3 | C4 | H24 | 107.9° | 109.5° |
| C3 | C4 | H25 | 107.9° | 109.5° |
| N | C6 | C7 | 121.0° | 119.7° |
| N | C6 | C11 | 119.5° | 119.8° |
| C6 | N | H21 | 106.8° | 120.0° |
| C6 | C7 | C8 | 121.4° | 120.9° |
| C7 | C6 | C11 | 119.4° | 120.5° |
| C6 | C7 | H7 | 119.3° | 119.6° |
| C7 | C8 | C9 | 120.5° | 120.1° |
| C8 | C7 | H7 | 119.3° | 119.5° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C6 | C11 | C10 | 120.8° | 119.5° |
| C6 | C11 | H9 | 119.6° | 120.2° |
| C | C1 | H1 | 108.1° | 109.4° |
| C | C1 | H2 | 108.2° | 109.5° |
| C1 | C | H26 | 109.5° | 109.5° |
| C1 | C | H27 | 109.5° | 109.4° |
| C1 | C | H28 | 109.5° | 109.5° |
| C8 | C9 | C10 | 119.0° | 119.2° |
| C8 | C9 | N1 | 118.9° | 120.6° |
| C9 | C8 | H8 | 119.7° | 119.9° |
| C11 | C10 | C9 | 118.9° | 119.9° |
| C11 | C10 | C12 | 123.7° | 121.1° |
| C10 | C11 | H9 | 119.6° | 120.3° |
| C10 | C9 | N1 | 122.2° | 120.2° |
| C9 | C10 | C12 | 117.4° | 119.1° |
| C9 | N1 | C14 | 118.7° | 122.0° |
| C10 | C12 | N3 | 120.8° | 121.1° |
| C10 | C12 | C13 | 119.7° | 117.8° |
| N1 | C14 | C13 | 124.9° | 121.7° |
| N1 | C14 | H10 | 117.6° | 119.2° |
| N3 | C12 | C13 | 119.5° | 121.1° |
| C12 | N3 | C17 | 125.6° | 120.0° |
| C12 | N3 | H19 | 117.2° | 120.0° |
| C12 | C13 | C14 | 116.8° | 119.2° |
| C12 | C13 | C15 | 122.0° | 120.4° |
| C19 | C18 | C17 | 119.1° | 119.9° |
| C18 | C19 | C20 | 120.9° | 120.1° |
| C18 | C19 | H14 | 119.6° | 119.9° |
| C19 | C18 | H20 | 120.5° | 120.1° |
| C18 | C17 | N3 | 115.8° | 120.1° |
| C18 | C17 | C22 | 119.9° | 119.9° |
| C17 | C18 | H20 | 120.4° | 120.0° |
| N3 | C17 | C22 | 124.1° | 120.1° |
| C17 | N3 | H19 | 117.2° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.1° |
| C20 | C19 | H14 | 119.5° | 120.0° |
| C19 | C20 | H15 | 120.0° | 119.9° |
| C17 | C22 | C21 | 120.5° | 119.9° |
| C17 | C22 | H17 | 119.8° | 120.1° |
| C20 | C21 | C22 | 119.6° | 120.1° |
| C21 | C20 | H15 | 120.0° | 120.0° |
| C20 | C21 | H16 | 120.2° | 119.9° |
| C22 | C21 | H16 | 120.2° | 120.0° |
| C21 | C22 | H17 | 119.8° | 120.0° |
| C14 | C13 | C15 | 121.2° | 120.4° |
| C13 | C14 | H10 | 117.5° | 119.1° |
| C13 | C15 | O | 122.2° | 120.0° |
| C13 | C15 | N2 | 119.3° | 120.0° |
| O | C15 | N2 | 118.5° | 120.1° |
| C15 | N2 | C16 | 121.2° | 120.0° |
| C15 | N2 | H18 | 119.4° | 120.1° |
| N2 | C16 | H11 | 109.5° | 109.5° |
| N2 | C16 | H12 | 109.5° | 109.4° |
| N2 | C16 | H13 | 109.5° | 109.4° |
| C16 | N2 | H18 | 119.4° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.4° | 109.5° |
| H11 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.4° | 109.5° |
| H24 | C4 | H25 | 109.5° | 109.4° |
| H26 | C | H27 | 109.5° | 109.4° |
| H26 | C | H28 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C5 | C4 | H22 | 120.5° | 120.0° |
| N | C5 | C4 | H23 | 120.5° | 120.0° |
| N | C5 | C4 | C3 | 174.0° | 180.0° |
| C5 | N | C6 | H21 | 121.5° | 179.9° |
| C5 | N | C6 | C7 | 148.3° | 5.9° |
| C5 | N | C6 | C11 | 29.4° | 174.2° |
| N | C5 | H22 | H23 | 118.7° | 120.0° |
| N | C5 | C4 | H24 | 65.1° | 60.0° |
| N | C5 | C4 | H25 | 53.1° | 59.9° |
| C5 | C4 | C3 | C2 | 134.7° | 180.0° |
| C5 | C4 | C3 | H24 | 120.9° | 120.0° |
| C5 | C4 | C3 | H25 | 120.9° | 120.0° |
| C4 | C5 | N | C6 | 95.4° | 180.0° |
| C5 | C4 | C3 | H5 | 104.7° | 60.0° |
| C5 | C4 | C3 | H6 | 14.1° | 60.0° |
| C4 | C5 | N | H21 | 143.1° | 0.0° |
| C4 | C5 | H22 | H23 | 118.6° | 120.0° |
| C5 | C4 | H24 | H25 | 117.1° | 120.0° |
| C3 | C2 | C1 | H3 | 120.5° | 120.1° |
| C3 | C2 | C1 | H4 | 120.5° | 120.0° |
| C2 | C3 | C4 | H5 | 120.6° | 120.0° |
| C2 | C3 | C4 | H6 | 120.6° | 120.0° |
| C3 | C2 | C1 | C | 155.9° | 180.0° |
| C3 | C2 | C1 | H1 | 35.1° | 60.1° |
| C3 | C2 | C1 | H2 | 83.4° | 60.0° |
| C3 | C2 | H3 | H4 | 118.6° | 120.1° |
| C2 | C3 | H5 | H6 | 118.1° | 120.1° |
| C2 | C3 | C4 | H24 | 104.4° | 60.0° |
| C2 | C3 | C4 | H25 | 13.7° | 60.0° |
| C1 | C2 | C3 | C4 | 86.5° | 179.9° |
| C2 | C1 | C | H1 | 120.8° | 120.0° |
| C2 | C1 | C | H2 | 120.8° | 120.1° |
| C2 | C1 | H1 | H2 | 117.6° | 120.1° |
| C1 | C2 | H3 | H4 | 118.6° | 119.9° |
| C1 | C2 | C3 | H5 | 34.1° | 60.0° |
| C1 | C2 | C3 | H6 | 152.9° | 60.1° |
| C2 | C1 | C | H26 | 180.0° | 180.0° |
| C2 | C1 | C | H27 | 60.0° | 60.0° |
| C2 | C1 | C | H28 | 60.0° | 59.9° |
| C4 | C3 | C2 | H3 | 33.9° | 60.0° |
| C4 | C3 | C2 | H4 | 153.0° | 60.0° |
| C4 | C3 | H5 | H6 | 118.2° | 120.0° |
| C3 | C4 | C5 | H22 | 53.5° | 60.0° |
| C3 | C4 | C5 | H23 | 65.5° | 60.0° |
| C3 | C4 | H24 | H25 | 117.1° | 120.1° |
| N | C6 | C7 | C11 | 177.7° | 179.9° |
| N | C6 | C7 | C8 | 175.7° | 180.0° |
| N | C6 | C11 | C10 | 177.3° | 180.0° |
| N | C6 | C7 | H7 | 4.3° | 0.3° |
| N | C6 | C11 | H9 | 2.7° | 0.1° |
| C6 | N | C5 | H22 | 144.1° | 60.0° |
| C6 | N | C5 | H23 | 25.0° | 60.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 2.0° | 0.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.1° |
| C6 | C7 | C8 | H8 | 178.0° | 180.0° |
| C7 | C6 | C11 | H9 | 179.6° | 180.0° |
| C7 | C6 | N | H21 | 26.8° | 174.2° |
| C8 | C7 | C6 | C11 | 2.0° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C7 | C8 | C9 | N1 | 179.7° | 180.0° |
| C6 | C11 | C10 | H9 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 1.0° | 0.1° |
| C6 | C11 | C10 | C12 | 179.9° | 179.9° |
| C11 | C6 | C7 | H7 | 178.0° | 179.8° |
| C11 | C6 | N | H21 | 150.9° | 5.7° |
| C | C1 | H1 | H2 | 117.6° | 120.0° |
| C | C1 | C2 | H3 | 83.7° | 59.9° |
| C | C1 | C2 | H4 | 35.4° | 60.0° |
| C1 | C | H26 | H27 | 120.0° | 120.0° |
| C1 | C | H26 | H28 | 120.0° | 120.1° |
| C1 | C | H27 | H28 | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 1.0° | 0.0° |
| C8 | C9 | C10 | N1 | 179.2° | 180.0° |
| C8 | C9 | C10 | C12 | 179.9° | 180.0° |
| C8 | C9 | N1 | C14 | 176.5° | 180.0° |
| C9 | C8 | C7 | H7 | 178.0° | 179.7° |
| C11 | C10 | C9 | C12 | 179.1° | 180.0° |
| C11 | C10 | C9 | N1 | 178.2° | 180.0° |
| C11 | C10 | C12 | N3 | 5.0° | 0.0° |
| C11 | C10 | C12 | C13 | 173.7° | 179.9° |
| C10 | C9 | N1 | C14 | 2.7° | 0.0° |
| C9 | C10 | C12 | N3 | 175.9° | 180.0° |
| C9 | C10 | C12 | C13 | 5.4° | 0.1° |
| C10 | C9 | C8 | H8 | 179.5° | 180.0° |
| C9 | C10 | C11 | H9 | 179.0° | 180.0° |
| N1 | C9 | C10 | C12 | 0.9° | 0.0° |
| C9 | N1 | C14 | C13 | 1.8° | 0.0° |
| N1 | C9 | C8 | H8 | 0.3° | 0.0° |
| C9 | N1 | C14 | H10 | 178.2° | 180.0° |
| C10 | C12 | N3 | C13 | 178.7° | 179.9° |
| C10 | C12 | N3 | C17 | 46.9° | 88.5° |
| C10 | C12 | C13 | C14 | 6.2° | 0.1° |
| C10 | C12 | C13 | C15 | 175.0° | 180.0° |
| C12 | C10 | C11 | H9 | 0.1° | 0.0° |
| C10 | C12 | N3 | H19 | 133.1° | 91.6° |
| N1 | C14 | C13 | C12 | 2.6° | 0.1° |
| N1 | C14 | C13 | H10 | 180.0° | 180.0° |
| N1 | C14 | C13 | C15 | 178.5° | 180.0° |
| C12 | N3 | C17 | C18 | 162.5° | 3.6° |
| C12 | N3 | C17 | H19 | 180.0° | 180.0° |
| C12 | N3 | C17 | C22 | 22.6° | 176.7° |
| N3 | C12 | C13 | C14 | 175.1° | 180.0° |
| N3 | C12 | C13 | C15 | 3.8° | 0.1° |
| C13 | C12 | N3 | C17 | 134.3° | 91.5° |
| C12 | C13 | C14 | C15 | 178.9° | 179.9° |
| C12 | C13 | C15 | O | 8.3° | 5.5° |
| C12 | C13 | C15 | N2 | 174.9° | 174.4° |
| C12 | C13 | C14 | H10 | 177.4° | 179.9° |
| C13 | C12 | N3 | H19 | 45.6° | 88.5° |
| C19 | C18 | C17 | H20 | 180.0° | 179.5° |
| C19 | C18 | C17 | N3 | 175.8° | 179.7° |
| C18 | C19 | C20 | H14 | 180.0° | 179.7° |
| C19 | C18 | C17 | C22 | 0.6° | 0.5° |
| C18 | C19 | C20 | C21 | 3.3° | 0.2° |
| C18 | C19 | C20 | H15 | 176.7° | 179.8° |
| C18 | C17 | N3 | C22 | 174.9° | 179.8° |
| C17 | C18 | C19 | C20 | 1.2° | 0.5° |
| C18 | C17 | C22 | C21 | 0.4° | 0.2° |
| C17 | C18 | C19 | H14 | 178.8° | 179.8° |
| C18 | C17 | C22 | H17 | 179.6° | 179.8° |
| C18 | C17 | N3 | H19 | 17.5° | 176.4° |
| N3 | C17 | C22 | C21 | 175.1° | 180.0° |
| N3 | C17 | C22 | H17 | 4.9° | 0.0° |
| N3 | C17 | C18 | H20 | 4.2° | 0.2° |
| C19 | C20 | C21 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 3.5° | 0.0° |
| C19 | C20 | C21 | H16 | 176.5° | 179.9° |
| C20 | C19 | C18 | H20 | 178.8° | 180.0° |
| C17 | C22 | C21 | C20 | 1.7° | 0.1° |
| C17 | C22 | C21 | H17 | 180.0° | 180.0° |
| C17 | C22 | C21 | H16 | 178.3° | 179.9° |
| C22 | C17 | N3 | H19 | 157.4° | 3.4° |
| C22 | C17 | C18 | H20 | 179.3° | 180.0° |
| C20 | C21 | C22 | H16 | 180.0° | 179.9° |
| C21 | C20 | C19 | H14 | 176.7° | 179.9° |
| C20 | C21 | C22 | H17 | 178.4° | 180.0° |
| C22 | C21 | C20 | H15 | 176.5° | 180.0° |
| C14 | C13 | C15 | O | 172.9° | 174.6° |
| C14 | C13 | C15 | N2 | 3.9° | 5.5° |
| C13 | C15 | O | N2 | 176.9° | 180.0° |
| C13 | C15 | N2 | C16 | 176.0° | 175.1° |
| C15 | C13 | C14 | H10 | 1.5° | 0.0° |
| C13 | C15 | N2 | H18 | 4.0° | 4.9° |
| O | C15 | N2 | C16 | 1.0° | 4.9° |
| O | C15 | N2 | H18 | 179.0° | 175.1° |
| C15 | N2 | C16 | H18 | 180.0° | 180.0° |
| C15 | N2 | C16 | H11 | 180.0° | 61.3° |
| C15 | N2 | C16 | H12 | 60.0° | 58.8° |
| C15 | N2 | C16 | H13 | 60.0° | 178.7° |
| N2 | C16 | H11 | H12 | 120.0° | 120.0° |
| N2 | C16 | H11 | H13 | 120.0° | 120.0° |
| N2 | C16 | H12 | H13 | 120.0° | 119.9° |
| H1 | C1 | C2 | H3 | 155.6° | 60.0° |
| H1 | C1 | C2 | H4 | 85.3° | 180.0° |
| H1 | C1 | C | H26 | 59.2° | 60.1° |
| H1 | C1 | C | H27 | 179.2° | 180.0° |
| H1 | C1 | C | H28 | 60.8° | 60.0° |
| H2 | C1 | C2 | H3 | 37.1° | 180.0° |
| H2 | C1 | C2 | H4 | 156.2° | 60.0° |
| H2 | C1 | C | H26 | 59.2° | 59.9° |
| H2 | C1 | C | H27 | 60.8° | 60.1° |
| H2 | C1 | C | H28 | 179.2° | 180.0° |
| H3 | C2 | C3 | H5 | 154.5° | 180.0° |
| H3 | C2 | C3 | H6 | 86.7° | 59.9° |
| H4 | C2 | C3 | H5 | 86.4° | 59.9° |
| H4 | C2 | C3 | H6 | 32.4° | 180.0° |
| H5 | C3 | C4 | H24 | 16.2° | 180.0° |
| H5 | C3 | C4 | H25 | 134.3° | 60.0° |
| H6 | C3 | C4 | H24 | 135.0° | 60.0° |
| H6 | C3 | C4 | H25 | 106.9° | 180.0° |
| H7 | C7 | C8 | H8 | 2.0° | 0.3° |
| H11 | C16 | H12 | H13 | 120.0° | 120.1° |
| H11 | C16 | N2 | H18 | 0.0° | 118.8° |
| H12 | C16 | N2 | H18 | 120.0° | 121.2° |
| H13 | C16 | N2 | H18 | 120.0° | 1.2° |
| H14 | C19 | C20 | H15 | 3.3° | 0.1° |
| H14 | C19 | C18 | H20 | 1.2° | 0.3° |
| H15 | C20 | C21 | H16 | 3.5° | 0.1° |
| H16 | C21 | C22 | H17 | 1.7° | 0.1° |
| H21 | N | C5 | H22 | 22.6° | 120.0° |
| H21 | N | C5 | H23 | 96.5° | 120.0° |
| H22 | C5 | C4 | H24 | 174.5° | 60.0° |
| H22 | C5 | C4 | H25 | 67.4° | 180.0° |
| H23 | C5 | C4 | H24 | 55.4° | 180.0° |
| H23 | C5 | C4 | H25 | 173.6° | 60.1° |
| H26 | C | H27 | H28 | 120.0° | 120.0° |
