4ZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| O10 | P08 | doub | 1.48Å | 1.48Å | |
| O09 | P08 | sing | 1.61Å | 1.57Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C07 | P08 | sing | 1.82Å | 1.81Å | |
| C06 | C19 | sing | 1.51Å | 1.52Å | |
| P08 | C11 | sing | 1.82Å | 1.82Å | |
| C19 | O21 | doub | 1.21Å | 1.26Å | |
| C19 | O20 | sing | 1.34Å | 1.25Å | |
| N12 | C11 | sing | 1.47Å | 1.43Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | H1 | sing | 1.01Å | 1.00Å | |
| N12 | H2 | sing | 1.01Å | 1.00Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| O09 | H18 | sing | 0.97Å | 0.95Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| O20 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 109.7° | 109.4° |
| C04 | C03 | C05 | 112.3° | 109.5° |
| C04 | C03 | H9 | 105.6° | 109.5° |
| C03 | C04 | H10 | 109.5° | 109.4° |
| C03 | C04 | H11 | 109.5° | 109.5° |
| C03 | C04 | H12 | 109.5° | 109.5° |
| C02 | C03 | C05 | 117.3° | 109.5° |
| C03 | C02 | H6 | 109.5° | 109.5° |
| C03 | C02 | H7 | 109.5° | 109.5° |
| C03 | C02 | H8 | 109.5° | 109.4° |
| C02 | C03 | H9 | 105.5° | 109.5° |
| C03 | C05 | C06 | 125.4° | 109.5° |
| C05 | C03 | H9 | 105.4° | 109.5° |
| C03 | C05 | H13 | 105.4° | 109.5° |
| C03 | C05 | H14 | 105.3° | 109.5° |
| C05 | C06 | C07 | 118.5° | 109.5° |
| C05 | C06 | C19 | 115.9° | 109.5° |
| C06 | C05 | H13 | 105.4° | 109.5° |
| C06 | C05 | H14 | 105.4° | 109.5° |
| C05 | C06 | H15 | 103.4° | 109.4° |
| O10 | P08 | O09 | 108.2° | 109.4° |
| O10 | P08 | C07 | 109.8° | 109.5° |
| O10 | P08 | C11 | 105.4° | 109.5° |
| O09 | P08 | C07 | 108.9° | 109.5° |
| O09 | P08 | C11 | 108.1° | 109.4° |
| P08 | O09 | H18 | 109.5° | 114.0° |
| C06 | C07 | P08 | 112.4° | 109.5° |
| C07 | C06 | C19 | 109.6° | 109.5° |
| C07 | C06 | H15 | 103.5° | 109.4° |
| C06 | C07 | H16 | 108.7° | 109.5° |
| C06 | C07 | H17 | 108.7° | 109.4° |
| C07 | P08 | C11 | 116.3° | 109.5° |
| P08 | C07 | H16 | 108.7° | 109.5° |
| P08 | C07 | H17 | 108.7° | 109.5° |
| C06 | C19 | O21 | 120.5° | 120.0° |
| C06 | C19 | O20 | 119.0° | 120.1° |
| C19 | C06 | H15 | 103.7° | 109.5° |
| P08 | C11 | N12 | 105.3° | 109.4° |
| P08 | C11 | C13 | 118.3° | 109.5° |
| P08 | C11 | H19 | 106.4° | 109.5° |
| O21 | C19 | O20 | 120.5° | 119.9° |
| C19 | O20 | H23 | 109.5° | 117.0° |
| N12 | C11 | C13 | 105.9° | 109.4° |
| C11 | N12 | H1 | 109.5° | 111.0° |
| C11 | N12 | H2 | 109.5° | 111.0° |
| N12 | C11 | H19 | 111.0° | 109.5° |
| C11 | C13 | C14 | 121.7° | 120.0° |
| C11 | C13 | C18 | 118.6° | 120.0° |
| C13 | C11 | H19 | 109.9° | 109.5° |
| C13 | C14 | C15 | 119.4° | 120.0° |
| C14 | C13 | C18 | 119.7° | 120.0° |
| C13 | C14 | H20 | 120.3° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H4 | 119.6° | 120.0° |
| C15 | C14 | H20 | 120.3° | 120.0° |
| C13 | C18 | C17 | 121.3° | 120.0° |
| C13 | C18 | H22 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H4 | 119.7° | 120.0° |
| C15 | C16 | H21 | 119.9° | 120.0° |
| C18 | C17 | C16 | 118.8° | 120.0° |
| C18 | C17 | H5 | 120.6° | 120.0° |
| C17 | C18 | H22 | 119.4° | 120.0° |
| C16 | C17 | H5 | 120.6° | 120.0° |
| C17 | C16 | H21 | 119.9° | 120.0° |
| H1 | N12 | H2 | 109.5° | 111.0° |
| H6 | C02 | H7 | 109.5° | 109.5° |
| H6 | C02 | H8 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.4° | 109.5° |
| H10 | C04 | H11 | 109.4° | 109.4° |
| H10 | C04 | H12 | 109.4° | 109.4° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.4° |
| H16 | C07 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | C05 | 129.7° | 120.0° |
| C04 | C03 | C02 | H9 | 113.4° | 120.0° |
| C04 | C03 | C05 | H9 | 114.5° | 120.1° |
| C04 | C03 | C05 | C06 | 83.6° | 62.7° |
| C04 | C03 | C02 | H6 | 180.0° | 60.0° |
| C04 | C03 | C02 | H7 | 60.0° | 60.0° |
| C04 | C03 | C02 | H8 | 60.0° | 180.0° |
| C03 | C04 | H10 | H11 | 120.0° | 120.0° |
| C03 | C04 | H10 | H12 | 120.0° | 120.0° |
| C03 | C04 | H11 | H12 | 120.0° | 120.1° |
| C04 | C03 | C05 | H13 | 38.6° | 57.3° |
| C04 | C03 | C05 | H14 | 154.3° | 177.2° |
| C02 | C03 | C05 | H9 | 117.0° | 120.0° |
| C02 | C03 | C05 | C06 | 44.9° | 177.3° |
| C03 | C02 | H6 | H7 | 120.0° | 120.0° |
| C03 | C02 | H6 | H8 | 120.0° | 120.0° |
| C03 | C02 | H7 | H8 | 120.0° | 120.0° |
| C02 | C03 | C04 | H10 | 180.0° | 174.4° |
| C02 | C03 | C04 | H11 | 60.0° | 54.5° |
| C02 | C03 | C04 | H12 | 60.0° | 65.6° |
| C02 | C03 | C05 | H13 | 167.1° | 62.6° |
| C02 | C03 | C05 | H14 | 77.2° | 57.3° |
| C03 | C05 | C06 | H13 | 122.1° | 120.1° |
| C03 | C05 | C06 | H14 | 122.1° | 120.0° |
| C03 | C05 | C06 | C07 | 79.3° | 66.6° |
| C03 | C05 | C06 | C19 | 54.2° | 173.3° |
| C05 | C03 | C02 | H6 | 50.3° | 60.0° |
| C05 | C03 | C02 | H7 | 170.3° | 180.0° |
| C05 | C03 | C02 | H8 | 69.8° | 60.0° |
| C05 | C03 | C04 | H10 | 47.6° | 65.6° |
| C05 | C03 | C04 | H11 | 72.4° | 174.4° |
| C05 | C03 | C04 | H12 | 167.6° | 54.4° |
| C03 | C05 | H13 | H14 | 112.9° | 120.0° |
| C03 | C05 | C06 | H15 | 167.0° | 53.3° |
| C05 | C06 | C07 | C19 | 136.2° | 120.1° |
| C05 | C06 | C07 | H15 | 113.7° | 120.0° |
| C05 | C06 | C07 | P08 | 98.0° | 164.9° |
| C05 | C06 | C19 | H15 | 112.6° | 120.0° |
| C05 | C06 | C19 | O21 | 45.7° | 39.5° |
| C05 | C06 | C19 | O20 | 135.4° | 140.5° |
| C06 | C05 | C03 | H9 | 161.9° | 57.3° |
| C06 | C05 | H13 | H14 | 112.9° | 120.0° |
| C05 | C06 | C07 | H16 | 141.6° | 75.0° |
| C05 | C06 | C07 | H17 | 22.5° | 45.0° |
| O10 | P08 | O09 | C07 | 119.3° | 120.0° |
| O10 | P08 | O09 | C11 | 113.6° | 120.0° |
| O10 | P08 | C07 | C06 | 147.7° | 55.0° |
| O10 | P08 | C07 | C11 | 119.5° | 120.1° |
| O10 | P08 | C11 | N12 | 62.5° | 60.0° |
| O10 | P08 | C11 | C13 | 179.5° | 59.9° |
| O10 | P08 | C07 | H16 | 91.9° | 175.0° |
| O10 | P08 | C07 | H17 | 27.3° | 65.0° |
| O10 | P08 | O09 | H18 | 0.0° | 180.0° |
| O10 | P08 | C11 | H19 | 55.4° | 180.0° |
| O09 | P08 | C07 | C06 | 29.5° | 65.0° |
| O09 | P08 | C07 | C11 | 122.3° | 120.0° |
| O09 | P08 | C11 | N12 | 52.9° | 180.0° |
| O09 | P08 | C11 | C13 | 65.1° | 60.0° |
| O09 | P08 | C07 | H16 | 149.9° | 55.0° |
| O09 | P08 | C07 | H17 | 91.0° | 175.0° |
| O09 | P08 | C11 | H19 | 170.8° | 60.1° |
| C06 | C07 | P08 | H16 | 120.4° | 120.0° |
| C06 | C07 | P08 | H17 | 120.4° | 120.0° |
| C07 | C06 | C19 | H15 | 110.0° | 120.0° |
| C06 | C07 | P08 | C11 | 92.8° | 175.0° |
| C07 | C06 | C19 | O21 | 176.9° | 80.5° |
| C07 | C06 | C19 | O20 | 2.0° | 99.5° |
| C07 | C06 | C05 | H13 | 42.8° | 173.3° |
| C07 | C06 | C05 | H14 | 158.6° | 53.4° |
| C06 | C07 | H16 | H17 | 118.7° | 120.0° |
| P08 | C07 | C06 | C19 | 125.9° | 75.0° |
| C07 | P08 | C11 | N12 | 175.7° | 60.0° |
| C07 | P08 | C11 | C13 | 57.7° | 180.0° |
| P08 | C07 | C06 | H15 | 15.7° | 45.0° |
| P08 | C07 | H16 | H17 | 118.7° | 120.0° |
| C07 | P08 | O09 | H18 | 119.3° | 60.0° |
| C07 | P08 | C11 | H19 | 66.4° | 59.9° |
| C06 | C19 | O21 | O20 | 178.9° | 180.0° |
| C19 | C06 | C05 | H13 | 176.3° | 53.3° |
| C19 | C06 | C05 | H14 | 67.9° | 66.7° |
| C19 | C06 | C07 | H16 | 5.5° | 45.1° |
| C19 | C06 | C07 | H17 | 113.7° | 165.0° |
| C06 | C19 | O20 | H23 | 179.0° | 180.0° |
| P08 | C11 | N12 | C13 | 126.1° | 120.0° |
| P08 | C11 | N12 | H19 | 114.8° | 120.0° |
| P08 | C11 | C13 | H19 | 122.4° | 120.1° |
| P08 | C11 | C13 | C14 | 23.0° | 84.7° |
| P08 | C11 | C13 | C18 | 159.3° | 95.0° |
| P08 | C11 | N12 | H1 | 180.0° | 60.1° |
| P08 | C11 | N12 | H2 | 60.0° | 176.0° |
| C11 | P08 | C07 | H16 | 27.6° | 64.9° |
| C11 | P08 | C07 | H17 | 146.7° | 55.0° |
| C11 | P08 | O09 | H18 | 113.6° | 60.0° |
| O21 | C19 | C06 | H15 | 67.0° | 159.5° |
| O21 | C19 | O20 | H23 | 0.0° | 0.0° |
| O20 | C19 | C06 | H15 | 112.0° | 20.5° |
| N12 | C11 | C13 | H19 | 120.0° | 120.0° |
| N12 | C11 | C13 | C14 | 94.7° | 35.3° |
| N12 | C11 | C13 | C18 | 83.0° | 145.0° |
| C11 | N12 | H1 | H2 | 120.0° | 123.9° |
| C11 | C13 | C14 | C18 | 177.7° | 179.7° |
| C11 | C13 | C14 | C15 | 179.4° | 179.7° |
| C11 | C13 | C18 | C17 | 179.0° | 180.0° |
| C13 | C11 | N12 | H1 | 54.0° | 59.9° |
| C13 | C11 | N12 | H2 | 173.9° | 64.0° |
| C11 | C13 | C14 | H20 | 0.6° | 0.4° |
| C11 | C13 | C18 | H22 | 0.9° | 0.0° |
| C13 | C14 | C15 | H20 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C14 | C13 | C18 | C17 | 1.3° | 0.3° |
| C13 | C14 | C15 | H4 | 178.6° | 179.8° |
| C14 | C13 | C11 | H19 | 145.4° | 155.3° |
| C14 | C13 | C18 | H22 | 178.7° | 179.7° |
| C15 | C14 | C13 | C18 | 1.7° | 0.0° |
| C14 | C15 | C16 | H4 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.6° | 0.3° |
| C14 | C15 | C16 | H21 | 179.4° | 179.7° |
| C13 | C18 | C17 | H22 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.5° | 0.5° |
| C13 | C18 | C17 | H5 | 179.5° | 180.0° |
| C18 | C13 | C11 | H19 | 36.9° | 25.0° |
| C18 | C13 | C14 | H20 | 178.3° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.5° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C15 | C16 | C17 | H5 | 179.8° | 180.0° |
| C16 | C15 | C14 | H20 | 178.6° | 179.9° |
| C18 | C17 | C16 | H5 | 180.0° | 179.5° |
| C18 | C17 | C16 | H21 | 179.8° | 179.5° |
| C17 | C16 | C15 | H4 | 179.4° | 179.9° |
| C16 | C17 | C18 | H22 | 179.5° | 179.4° |
| H1 | N12 | C11 | H19 | 65.2° | 180.0° |
| H2 | N12 | C11 | H19 | 54.7° | 56.1° |
| H4 | C15 | C14 | H20 | 1.4° | 0.3° |
| H4 | C15 | C16 | H21 | 0.6° | 0.1° |
| H5 | C17 | C16 | H21 | 0.2° | 0.0° |
| H5 | C17 | C18 | H22 | 0.5° | 0.1° |
| H6 | C02 | H7 | H8 | 120.0° | 120.0° |
| H6 | C02 | C03 | H9 | 66.6° | 180.0° |
| H7 | C02 | C03 | H9 | 53.4° | 60.0° |
| H8 | C02 | C03 | H9 | 173.3° | 60.0° |
| H9 | C03 | C04 | H10 | 66.7° | 54.4° |
| H9 | C03 | C04 | H11 | 173.3° | 65.5° |
| H9 | C03 | C04 | H12 | 53.3° | 174.4° |
| H9 | C03 | C05 | H13 | 75.9° | 177.4° |
| H9 | C03 | C05 | H14 | 39.8° | 62.7° |
| H10 | C04 | H11 | H12 | 119.9° | 120.0° |
| H13 | C05 | C06 | H15 | 70.9° | 66.7° |
| H14 | C05 | C06 | H15 | 44.9° | 173.3° |
| H15 | C06 | C07 | H16 | 104.7° | 165.0° |
| H15 | C06 | C07 | H17 | 136.1° | 75.0° |
