ZRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.18Å | |
| C18 | C19 | sing | 1.55Å | 1.59Å | |
| C18 | C17 | sing | 1.54Å | 1.41Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.48Å | 1.54Å | |
| C02 | O01 | sing | 1.35Å | 1.33Å | |
| C19 | C20 | sing | 1.55Å | 1.63Å | |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.54Å | 1.67Å | |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C16 | sing | 1.54Å | 1.40Å | |
| C16 | C21 | sing | 1.54Å | 1.54Å | |
| C16 | O15 | sing | 1.43Å | 1.44Å | |
| C06 | C10 | sing | 1.48Å | 1.61Å | |
| C21 | N12 | sing | 1.47Å | 1.48Å | |
| O15 | C14 | sing | 1.43Å | 1.45Å | |
| N12 | C10 | sing | 1.35Å | 1.51Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C10 | O11 | doub | 1.22Å | 1.21Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| O01 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C04 | 117.3° | 120.0° |
| O03 | C02 | O01 | 126.9° | 120.1° |
| C19 | C18 | C17 | 105.6° | 104.2° |
| C18 | C19 | C20 | 105.1° | 102.8° |
| C19 | C18 | H11 | 110.4° | 110.5° |
| C19 | C18 | H12 | 110.5° | 110.5° |
| C18 | C19 | H13 | 110.5° | 110.8° |
| C18 | C19 | H14 | 110.6° | 110.7° |
| C18 | C17 | C16 | 108.2° | 106.5° |
| C18 | C17 | H9 | 109.8° | 110.1° |
| C18 | C17 | H10 | 109.8° | 110.1° |
| C17 | C18 | H11 | 110.4° | 110.5° |
| C17 | C18 | H12 | 110.4° | 110.5° |
| C08 | C09 | C04 | 118.6° | 120.2° |
| C09 | C08 | C07 | 119.1° | 120.3° |
| C09 | C08 | H3 | 120.4° | 119.9° |
| C08 | C09 | H4 | 120.7° | 119.9° |
| C09 | C04 | C02 | 122.5° | 120.1° |
| C09 | C04 | C05 | 122.2° | 119.8° |
| C04 | C09 | H4 | 120.7° | 119.9° |
| C04 | C02 | O01 | 115.8° | 120.0° |
| C02 | C04 | C05 | 115.2° | 120.1° |
| C02 | O01 | H19 | 109.5° | 117.0° |
| C19 | C20 | C16 | 107.7° | 104.2° |
| C20 | C19 | H13 | 110.6° | 110.8° |
| C20 | C19 | H14 | 110.6° | 110.8° |
| C19 | C20 | H15 | 109.9° | 110.5° |
| C19 | C20 | H16 | 109.9° | 110.5° |
| C08 | C07 | C06 | 120.8° | 120.2° |
| C08 | C07 | H2 | 119.6° | 119.9° |
| C07 | C08 | H3 | 120.4° | 119.8° |
| C04 | C05 | C06 | 118.8° | 119.7° |
| C04 | C05 | H1 | 120.6° | 120.1° |
| C17 | C16 | C20 | 107.1° | 106.9° |
| C17 | C16 | C21 | 114.3° | 109.9° |
| C17 | C16 | O15 | 121.2° | 110.0° |
| C16 | C17 | H9 | 109.8° | 110.0° |
| C16 | C17 | H10 | 109.8° | 110.1° |
| C07 | C06 | C05 | 120.4° | 119.9° |
| C07 | C06 | C10 | 123.6° | 120.0° |
| C06 | C07 | H2 | 119.6° | 119.9° |
| C05 | C06 | C10 | 116.0° | 120.1° |
| C06 | C05 | H1 | 120.6° | 120.2° |
| C20 | C16 | C21 | 107.7° | 109.8° |
| C20 | C16 | O15 | 91.2° | 110.0° |
| C16 | C20 | H15 | 109.9° | 110.5° |
| C16 | C20 | H16 | 109.9° | 110.5° |
| C21 | C16 | O15 | 111.8° | 110.3° |
| C16 | C21 | N12 | 110.6° | 108.3° |
| C16 | C21 | H17 | 109.2° | 109.7° |
| C16 | C21 | H18 | 109.2° | 109.7° |
| C16 | O15 | C14 | 116.0° | 114.2° |
| C06 | C10 | N12 | 117.0° | 120.0° |
| C06 | C10 | O11 | 121.7° | 120.0° |
| C21 | N12 | C10 | 123.2° | 121.0° |
| C21 | N12 | C13 | 112.4° | 117.9° |
| N12 | C21 | H17 | 109.2° | 109.9° |
| N12 | C21 | H18 | 109.2° | 109.6° |
| O15 | C14 | C13 | 113.7° | 109.2° |
| O15 | C14 | H7 | 108.4° | 109.5° |
| O15 | C14 | H8 | 108.4° | 109.6° |
| C10 | N12 | C13 | 124.4° | 121.0° |
| N12 | C10 | O11 | 121.3° | 120.0° |
| N12 | C13 | C14 | 111.5° | 108.7° |
| N12 | C13 | H5 | 108.9° | 109.6° |
| N12 | C13 | H6 | 109.0° | 109.6° |
| C14 | C13 | H5 | 109.0° | 109.6° |
| C14 | C13 | H6 | 108.9° | 109.6° |
| C13 | C14 | H7 | 108.4° | 109.5° |
| C13 | C14 | H8 | 108.4° | 109.6° |
| H5 | C13 | H6 | 109.5° | 109.6° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 110.0° |
| H11 | C18 | H12 | 109.5° | 110.5° |
| H13 | C19 | H14 | 109.5° | 110.7° |
| H15 | C20 | H16 | 109.5° | 110.5° |
| H17 | C21 | H18 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C04 | C09 | 52.9° | 179.4° |
| O03 | C02 | C04 | O01 | 179.2° | 179.7° |
| O03 | C02 | C04 | C05 | 128.5° | 0.3° |
| O03 | C02 | O01 | H19 | 0.0° | 0.2° |
| C19 | C18 | C17 | H11 | 119.4° | 118.7° |
| C19 | C18 | C17 | H12 | 119.4° | 118.7° |
| C18 | C19 | C20 | H13 | 119.3° | 118.4° |
| C18 | C19 | C20 | H14 | 119.3° | 118.3° |
| C19 | C18 | C17 | C16 | 24.2° | 23.6° |
| C18 | C19 | C20 | C16 | 14.8° | 37.7° |
| C19 | C18 | C17 | H9 | 143.9° | 95.7° |
| C19 | C18 | C17 | H10 | 95.6° | 142.9° |
| C19 | C18 | H11 | H12 | 121.8° | 122.6° |
| C18 | C19 | H13 | H14 | 122.0° | 123.3° |
| C18 | C19 | C20 | H15 | 134.5° | 81.0° |
| C18 | C19 | C20 | H16 | 104.9° | 156.4° |
| C17 | C18 | C19 | C20 | 24.5° | 37.8° |
| C18 | C17 | C16 | H9 | 119.8° | 119.3° |
| C18 | C17 | C16 | H10 | 119.8° | 119.3° |
| C18 | C17 | C16 | C20 | 15.5° | 0.1° |
| C18 | C17 | C16 | C21 | 134.7° | 119.1° |
| C18 | C17 | C16 | O15 | 86.8° | 119.3° |
| C18 | C17 | H9 | H10 | 120.6° | 121.5° |
| C17 | C18 | H11 | H12 | 121.8° | 122.6° |
| C17 | C18 | C19 | H13 | 94.8° | 80.6° |
| C17 | C18 | C19 | H14 | 143.8° | 156.1° |
| C08 | C09 | C04 | H4 | 180.0° | 179.3° |
| C08 | C09 | C04 | C02 | 179.1° | 179.7° |
| C09 | C08 | C07 | H3 | 180.0° | 179.6° |
| C08 | C09 | C04 | C05 | 0.6° | 0.7° |
| C09 | C08 | C07 | C06 | 0.3° | 0.3° |
| C09 | C08 | C07 | H2 | 179.7° | 179.6° |
| C09 | C04 | C02 | C05 | 178.6° | 179.7° |
| C09 | C04 | C02 | O01 | 126.3° | 0.3° |
| C04 | C09 | C08 | C07 | 0.2° | 0.7° |
| C09 | C04 | C05 | C06 | 0.4° | 0.3° |
| C09 | C04 | C05 | H1 | 179.6° | 179.7° |
| C04 | C09 | C08 | H3 | 179.8° | 179.7° |
| C02 | C04 | C05 | C06 | 179.0° | 180.0° |
| C02 | C04 | C05 | H1 | 1.0° | 0.0° |
| C02 | C04 | C09 | H4 | 0.9° | 0.3° |
| C04 | C02 | O01 | H19 | 179.1° | 180.0° |
| O01 | C02 | C04 | C05 | 52.3° | 180.0° |
| C19 | C20 | C16 | C17 | 0.8° | 23.4° |
| C19 | C20 | C16 | H15 | 119.7° | 118.7° |
| C19 | C20 | C16 | H16 | 119.7° | 118.7° |
| C19 | C20 | C16 | C21 | 122.6° | 95.7° |
| C19 | C20 | C16 | O15 | 124.1° | 142.7° |
| C20 | C19 | C18 | H11 | 94.9° | 156.5° |
| C20 | C19 | C18 | H12 | 143.9° | 80.9° |
| C20 | C19 | H13 | H14 | 122.0° | 123.3° |
| C19 | C20 | H15 | H16 | 120.8° | 122.7° |
| C08 | C07 | C06 | H2 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C06 | C10 | 179.9° | 179.9° |
| C07 | C08 | C09 | H4 | 179.7° | 180.0° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C04 | C05 | C06 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | C10 | 179.7° | 180.0° |
| C05 | C04 | C09 | H4 | 179.4° | 180.0° |
| C17 | C16 | C20 | C21 | 123.4° | 119.1° |
| C17 | C16 | C20 | O15 | 123.3° | 119.3° |
| C17 | C16 | C21 | O15 | 142.3° | 121.4° |
| C17 | C16 | C21 | N12 | 178.7° | 70.2° |
| C17 | C16 | O15 | C14 | 120.8° | 60.0° |
| C16 | C17 | H9 | H10 | 120.6° | 121.4° |
| C16 | C17 | C18 | H11 | 95.2° | 142.3° |
| C16 | C17 | C18 | H12 | 143.6° | 95.1° |
| C17 | C16 | C20 | H15 | 120.6° | 95.3° |
| C17 | C16 | C20 | H16 | 118.9° | 142.1° |
| C17 | C16 | C21 | H17 | 61.1° | 49.7° |
| C17 | C16 | C21 | H18 | 58.6° | 170.2° |
| C07 | C06 | C05 | C10 | 179.6° | 179.9° |
| C07 | C06 | C10 | N12 | 67.1° | 142.3° |
| C07 | C06 | C10 | O11 | 114.3° | 37.7° |
| C07 | C06 | C05 | H1 | 179.8° | 180.0° |
| C06 | C07 | C08 | H3 | 179.7° | 180.0° |
| C05 | C06 | C10 | N12 | 112.5° | 37.8° |
| C05 | C06 | C10 | O11 | 66.1° | 142.2° |
| C05 | C06 | C07 | H2 | 179.5° | 180.0° |
| C20 | C16 | C21 | O15 | 98.7° | 121.4° |
| C20 | C16 | C21 | N12 | 59.8° | 172.5° |
| C20 | C16 | O15 | C14 | 128.3° | 177.5° |
| C20 | C16 | C17 | H9 | 135.2° | 119.2° |
| C20 | C16 | C17 | H10 | 104.3° | 119.4° |
| C16 | C20 | C19 | H13 | 104.5° | 80.7° |
| C16 | C20 | C19 | H14 | 134.1° | 156.0° |
| C16 | C20 | H15 | H16 | 120.8° | 122.6° |
| C20 | C16 | C21 | H17 | 180.0° | 67.5° |
| C20 | C16 | C21 | H18 | 60.4° | 53.0° |
| C16 | C21 | N12 | H17 | 120.2° | 119.8° |
| C16 | C21 | N12 | H18 | 120.2° | 119.6° |
| C21 | C16 | O15 | C14 | 18.6° | 61.3° |
| C16 | C21 | N12 | C10 | 115.5° | 130.2° |
| C16 | C21 | N12 | C13 | 63.3° | 49.8° |
| C21 | C16 | C17 | H9 | 105.5° | 0.2° |
| C21 | C16 | C17 | H10 | 14.9° | 121.6° |
| C21 | C16 | C20 | H15 | 2.9° | 145.6° |
| C21 | C16 | C20 | H16 | 117.7° | 23.0° |
| C16 | C21 | H17 | H18 | 119.5° | 120.5° |
| O15 | C16 | C21 | N12 | 38.9° | 51.2° |
| C16 | O15 | C14 | C13 | 55.1° | 61.8° |
| C16 | O15 | C14 | H7 | 175.7° | 58.1° |
| C16 | O15 | C14 | H8 | 65.5° | 178.2° |
| O15 | C16 | C17 | H9 | 33.0° | 121.4° |
| O15 | C16 | C17 | H10 | 153.4° | 0.0° |
| O15 | C16 | C20 | H15 | 116.2° | 24.1° |
| O15 | C16 | C20 | H16 | 4.4° | 98.6° |
| O15 | C16 | C21 | H17 | 81.2° | 171.1° |
| O15 | C16 | C21 | H18 | 159.1° | 68.4° |
| C06 | C10 | N12 | C21 | 0.4° | 5.9° |
| C06 | C10 | N12 | O11 | 178.6° | 180.0° |
| C06 | C10 | N12 | C13 | 179.0° | 174.1° |
| C10 | C06 | C05 | H1 | 0.2° | 0.0° |
| C10 | C06 | C07 | H2 | 0.1° | 0.1° |
| C21 | N12 | C10 | C13 | 178.7° | 180.0° |
| C21 | N12 | C10 | O11 | 178.2° | 174.1° |
| C21 | N12 | C13 | C14 | 27.4° | 50.9° |
| C21 | N12 | C13 | H5 | 92.9° | 68.9° |
| C21 | N12 | C13 | H6 | 147.7° | 170.7° |
| N12 | C21 | H17 | H18 | 119.5° | 120.6° |
| O15 | C14 | C13 | N12 | 29.7° | 52.7° |
| O15 | C14 | C13 | H7 | 120.6° | 119.9° |
| O15 | C14 | C13 | H8 | 120.6° | 120.0° |
| O15 | C14 | C13 | H5 | 150.0° | 67.1° |
| O15 | C14 | C13 | H6 | 90.6° | 172.5° |
| O15 | C14 | H7 | H8 | 118.1° | 120.2° |
| C10 | N12 | C13 | C14 | 151.4° | 129.1° |
| C10 | N12 | C13 | H5 | 88.3° | 111.2° |
| C10 | N12 | C13 | H6 | 31.1° | 9.3° |
| C10 | N12 | C21 | H17 | 124.4° | 10.4° |
| C10 | N12 | C21 | H18 | 4.7° | 110.2° |
| C13 | N12 | C10 | O11 | 0.5° | 5.8° |
| N12 | C13 | C14 | H5 | 120.3° | 119.8° |
| N12 | C13 | C14 | H6 | 120.3° | 119.8° |
| N12 | C13 | H5 | H6 | 119.1° | 120.4° |
| N12 | C13 | C14 | H7 | 150.3° | 67.2° |
| N12 | C13 | C14 | H8 | 90.9° | 172.7° |
| C13 | N12 | C21 | H17 | 56.8° | 169.5° |
| C13 | N12 | C21 | H18 | 176.5° | 69.9° |
| C14 | C13 | H5 | H6 | 119.1° | 120.4° |
| C13 | C14 | H7 | H8 | 118.1° | 120.1° |
| H2 | C07 | C08 | H3 | 0.3° | 0.0° |
| H3 | C08 | C09 | H4 | 0.3° | 0.4° |
| H5 | C13 | C14 | H7 | 89.4° | 173.0° |
| H5 | C13 | C14 | H8 | 29.4° | 52.9° |
| H6 | C13 | C14 | H7 | 30.0° | 52.6° |
| H6 | C13 | C14 | H8 | 148.8° | 67.5° |
| H9 | C17 | C18 | H11 | 24.6° | 23.0° |
| H9 | C17 | C18 | H12 | 96.7° | 145.6° |
| H10 | C17 | C18 | H11 | 145.0° | 98.5° |
| H10 | C17 | C18 | H12 | 23.8° | 24.2° |
| H11 | C18 | C19 | H13 | 145.8° | 38.1° |
| H11 | C18 | C19 | H14 | 24.4° | 85.2° |
| H12 | C18 | C19 | H13 | 24.6° | 160.8° |
| H12 | C18 | C19 | H14 | 96.8° | 37.5° |
| H13 | C19 | C20 | H15 | 15.3° | 160.7° |
| H13 | C19 | C20 | H16 | 135.8° | 38.0° |
| H14 | C19 | C20 | H15 | 106.1° | 37.4° |
| H14 | C19 | C20 | H16 | 14.4° | 85.3° |
