ZC0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C18 | sing | 1.53Å | 1.52Å | |
| C22 | N23 | sing | 1.46Å | 1.45Å | |
| N25 | O26 | sing | 1.21Å | 1.36Å | Aromatic |
| N25 | C24 | doub | 1.31Å | 1.35Å | Aromatic |
| C18 | O19 | sing | 1.46Å | 1.42Å | |
| C18 | C17 | sing | 1.54Å | 1.49Å | |
| O26 | C27 | sing | 1.34Å | 1.32Å | Aromatic |
| N23 | C24 | sing | 1.39Å | 1.45Å | |
| C24 | C28 | sing | 1.42Å | 1.40Å | Aromatic |
| O19 | C20 | sing | 1.34Å | 1.44Å | |
| C17 | N16 | sing | 1.47Å | 1.41Å | |
| C27 | C28 | doub | 1.35Å | 1.37Å | Aromatic |
| C20 | N16 | sing | 1.34Å | 1.46Å | |
| C20 | O21 | doub | 1.22Å | 1.19Å | |
| N16 | C11 | sing | 1.40Å | 1.45Å | |
| F15 | C12 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.36Å | |
| C13 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | F29 | sing | 1.35Å | 1.36Å | |
| C08 | N03 | sing | 1.40Å | 1.45Å | |
| N03 | C04 | sing | 1.37Å | 1.50Å | |
| N03 | C02 | sing | 1.47Å | 1.50Å | |
| C04 | C05 | doub | 1.35Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.40Å | 1.46Å | |
| C01 | C06 | sing | 1.51Å | 1.47Å | |
| C06 | O07 | doub | 1.22Å | 1.18Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C22 | N23 | 110.5° | 109.4° |
| C22 | C18 | O19 | 107.8° | 110.6° |
| C22 | C18 | C17 | 106.3° | 110.5° |
| C22 | C18 | H181 | 110.9° | 110.6° |
| C18 | C22 | H222 | 109.2° | 109.4° |
| C18 | C22 | H221 | 109.2° | 109.5° |
| C22 | N23 | C24 | 119.8° | 119.9° |
| N23 | C22 | H222 | 109.2° | 109.5° |
| N23 | C22 | H221 | 109.2° | 109.5° |
| C22 | N23 | H231 | 106.8° | 120.0° |
| O26 | N25 | C24 | 106.9° | 111.5° |
| N25 | O26 | C27 | 110.9° | 111.8° |
| N25 | C24 | N23 | 126.6° | 126.8° |
| N25 | C24 | C28 | 107.6° | 106.2° |
| O19 | C18 | C17 | 107.5° | 104.0° |
| C18 | O19 | C20 | 106.7° | 109.5° |
| O19 | C18 | H181 | 112.6° | 110.6° |
| C18 | C17 | N16 | 106.9° | 103.8° |
| C18 | C17 | H171 | 110.1° | 110.5° |
| C18 | C17 | H172 | 110.1° | 110.7° |
| C17 | C18 | H181 | 111.5° | 110.5° |
| O26 | C27 | C28 | 107.3° | 106.6° |
| O26 | C27 | H271 | 126.3° | 126.7° |
| N23 | C24 | C28 | 125.7° | 126.9° |
| C24 | N23 | H231 | 106.8° | 120.0° |
| C24 | C28 | C27 | 107.2° | 104.0° |
| C24 | C28 | H281 | 126.4° | 128.0° |
| O19 | C20 | N16 | 106.6° | 113.9° |
| O19 | C20 | O21 | 126.9° | 123.0° |
| C17 | N16 | C20 | 106.8° | 108.9° |
| C17 | N16 | C11 | 126.9° | 125.5° |
| N16 | C17 | H171 | 110.1° | 110.6° |
| N16 | C17 | H172 | 110.1° | 110.6° |
| C28 | C27 | H271 | 126.3° | 126.7° |
| C27 | C28 | H281 | 126.4° | 128.0° |
| N16 | C20 | O21 | 126.5° | 123.1° |
| C20 | N16 | C11 | 126.3° | 125.6° |
| N16 | C11 | C12 | 120.5° | 120.0° |
| N16 | C11 | C10 | 119.6° | 120.0° |
| F15 | C12 | C11 | 120.4° | 120.0° |
| F15 | C12 | C13 | 119.6° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.1° | 120.0° |
| C11 | C10 | H101 | 120.0° | 119.9° |
| C12 | C13 | F14 | 119.9° | 120.0° |
| C12 | C13 | C08 | 120.1° | 120.0° |
| C10 | C09 | C08 | 119.9° | 120.0° |
| C10 | C09 | F29 | 119.4° | 119.9° |
| C09 | C10 | H101 | 120.0° | 120.1° |
| F14 | C13 | C08 | 120.0° | 120.0° |
| C13 | C08 | C09 | 119.9° | 120.0° |
| C13 | C08 | N03 | 119.2° | 120.0° |
| C08 | C09 | F29 | 120.7° | 120.0° |
| C09 | C08 | N03 | 120.9° | 120.0° |
| C08 | N03 | C04 | 123.5° | 120.8° |
| C08 | N03 | C02 | 123.3° | 120.8° |
| C04 | N03 | C02 | 113.2° | 118.4° |
| N03 | C04 | C05 | 118.9° | 119.7° |
| N03 | C04 | H041 | 120.5° | 120.1° |
| N03 | C02 | C01 | 112.2° | 108.1° |
| N03 | C02 | H022 | 108.8° | 109.7° |
| N03 | C02 | H021 | 108.8° | 109.7° |
| C04 | C05 | C06 | 117.5° | 121.0° |
| C05 | C04 | H041 | 120.5° | 120.2° |
| C04 | C05 | H2 | 121.2° | 119.5° |
| C02 | C01 | C06 | 111.8° | 109.0° |
| C02 | C01 | H011 | 108.9° | 109.5° |
| C02 | C01 | H012 | 108.9° | 109.7° |
| C01 | C02 | H022 | 108.8° | 109.7° |
| C01 | C02 | H021 | 108.8° | 109.8° |
| C05 | C06 | C01 | 118.9° | 120.5° |
| C05 | C06 | O07 | 120.8° | 119.8° |
| C06 | C05 | H2 | 121.3° | 119.5° |
| C01 | C06 | O07 | 120.3° | 119.7° |
| C06 | C01 | H011 | 108.9° | 109.6° |
| C06 | C01 | H012 | 108.9° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.4° | 109.8° |
| H171 | C17 | H172 | 109.5° | 110.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C22 | N23 | H222 | 120.1° | 120.0° |
| C18 | C22 | N23 | H221 | 120.2° | 120.0° |
| C22 | C18 | O19 | C17 | 114.1° | 118.6° |
| C22 | C18 | O19 | H181 | 122.7° | 122.8° |
| C22 | C18 | C17 | H181 | 121.0° | 122.7° |
| C18 | C22 | N23 | C24 | 153.5° | 180.0° |
| C22 | C18 | O19 | C20 | 127.1° | 118.6° |
| C22 | C18 | C17 | N16 | 113.6° | 118.7° |
| C22 | C18 | C17 | H171 | 126.8° | 122.8° |
| C22 | C18 | C17 | H172 | 6.0° | 0.0° |
| C18 | C22 | H222 | H221 | 119.5° | 120.0° |
| C18 | C22 | N23 | H231 | 85.1° | 0.0° |
| C22 | N23 | C24 | N25 | 1.9° | 179.7° |
| N23 | C22 | C18 | O19 | 40.7° | 61.5° |
| N23 | C22 | C18 | C17 | 74.2° | 176.0° |
| C22 | N23 | C24 | H231 | 121.4° | 180.0° |
| C22 | N23 | C24 | C28 | 178.1° | 0.0° |
| N23 | C22 | C18 | H181 | 164.4° | 61.3° |
| N23 | C22 | H222 | H221 | 119.5° | 120.0° |
| O26 | N25 | C24 | N23 | 179.9° | 179.7° |
| O26 | N25 | C24 | C28 | 0.1° | 0.1° |
| N25 | O26 | C27 | C28 | 0.1° | 0.4° |
| N25 | O26 | C27 | H271 | 179.8° | 180.0° |
| C24 | N25 | O26 | C27 | 0.1° | 0.2° |
| N25 | C24 | N23 | C28 | 180.0° | 179.6° |
| N25 | C24 | C28 | C27 | 0.0° | 0.3° |
| N25 | C24 | C28 | H281 | 180.0° | 179.7° |
| N25 | C24 | N23 | H231 | 119.6° | 0.3° |
| O19 | C18 | C17 | H181 | 123.9° | 118.6° |
| O19 | C18 | C17 | N16 | 1.6° | 0.0° |
| C18 | O19 | C20 | N16 | 22.5° | 0.0° |
| C18 | O19 | C20 | O21 | 157.3° | 180.0° |
| O19 | C18 | C17 | H171 | 118.0° | 118.6° |
| O19 | C18 | C17 | H172 | 121.2° | 118.6° |
| O19 | C18 | C22 | H222 | 160.8° | 58.5° |
| O19 | C18 | C22 | H221 | 79.5° | 178.5° |
| C17 | C18 | O19 | C20 | 13.0° | 0.0° |
| C18 | C17 | N16 | H171 | 119.6° | 118.5° |
| C18 | C17 | N16 | H172 | 119.6° | 118.7° |
| C18 | C17 | N16 | C20 | 15.3° | 0.0° |
| C18 | C17 | N16 | C11 | 164.4° | 180.0° |
| C18 | C17 | H171 | H172 | 121.2° | 122.9° |
| C17 | C18 | C22 | H222 | 45.9° | 56.1° |
| C17 | C18 | C22 | H221 | 165.6° | 64.0° |
| O26 | C27 | C28 | C24 | 0.1° | 0.4° |
| O26 | C27 | C28 | H271 | 180.0° | 179.6° |
| O26 | C27 | C28 | H281 | 179.9° | 179.6° |
| N23 | C24 | C28 | C27 | 180.0° | 180.0° |
| C24 | N23 | C22 | H222 | 33.3° | 60.0° |
| C24 | N23 | C22 | H221 | 86.3° | 60.0° |
| N23 | C24 | C28 | H281 | 0.0° | 0.0° |
| C24 | C28 | C27 | H281 | 180.0° | 180.0° |
| C24 | C28 | C27 | H271 | 179.9° | 180.0° |
| C28 | C24 | N23 | H231 | 60.5° | 179.9° |
| O19 | C20 | N16 | C17 | 23.6° | 0.0° |
| O19 | C20 | N16 | O21 | 179.8° | 180.0° |
| O19 | C20 | N16 | C11 | 156.2° | 180.0° |
| C20 | O19 | C18 | H181 | 110.2° | 118.6° |
| C17 | N16 | C20 | C11 | 179.8° | 180.0° |
| C17 | N16 | C20 | O21 | 156.2° | 180.0° |
| C17 | N16 | C11 | C12 | 38.9° | 90.0° |
| C17 | N16 | C11 | C10 | 141.2° | 90.2° |
| N16 | C17 | H171 | H172 | 121.2° | 122.8° |
| N16 | C17 | C18 | H181 | 125.4° | 118.6° |
| C20 | N16 | C11 | C12 | 141.4° | 90.0° |
| C20 | N16 | C11 | C10 | 38.6° | 89.8° |
| C20 | N16 | C17 | H171 | 104.3° | 118.5° |
| C20 | N16 | C17 | H172 | 134.9° | 118.7° |
| O21 | C20 | N16 | C11 | 24.0° | 0.0° |
| N16 | C11 | C12 | F15 | 0.2° | 0.3° |
| N16 | C11 | C12 | C10 | 180.0° | 179.8° |
| N16 | C11 | C12 | C13 | 179.8° | 180.0° |
| N16 | C11 | C10 | C09 | 179.9° | 179.7° |
| N16 | C11 | C10 | H101 | 0.0° | 0.3° |
| C11 | N16 | C17 | H171 | 76.0° | 61.5° |
| C11 | N16 | C17 | H172 | 44.9° | 61.3° |
| F15 | C12 | C11 | C13 | 179.6° | 179.7° |
| F15 | C12 | C11 | C10 | 179.7° | 180.0° |
| F15 | C12 | C13 | F14 | 0.2° | 0.3° |
| F15 | C12 | C13 | C08 | 179.8° | 179.7° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C11 | C12 | C13 | F14 | 179.8° | 180.0° |
| C11 | C12 | C13 | C08 | 0.2° | 0.5° |
| C12 | C11 | C10 | H101 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C11 | C10 | C09 | H101 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.3° | 0.0° |
| C11 | C10 | C09 | F29 | 179.8° | 180.0° |
| C12 | C13 | F14 | C08 | 180.0° | 179.5° |
| C12 | C13 | C08 | C09 | 0.0° | 0.5° |
| C12 | C13 | C08 | N03 | 179.9° | 179.7° |
| C10 | C09 | C08 | C13 | 0.2° | 0.2° |
| C10 | C09 | C08 | F29 | 179.9° | 180.0° |
| C10 | C09 | C08 | N03 | 179.7° | 180.0° |
| F14 | C13 | C08 | C09 | 179.9° | 180.0° |
| F14 | C13 | C08 | N03 | 0.0° | 0.2° |
| C13 | C08 | C09 | N03 | 179.9° | 179.8° |
| C13 | C08 | C09 | F29 | 179.9° | 179.7° |
| C13 | C08 | N03 | C04 | 49.7° | 90.3° |
| C13 | C08 | N03 | C02 | 128.6° | 89.8° |
| C09 | C08 | N03 | C04 | 130.4° | 90.0° |
| C09 | C08 | N03 | C02 | 51.2° | 90.0° |
| C08 | C09 | C10 | H101 | 179.8° | 180.0° |
| F29 | C09 | C08 | N03 | 0.2° | 0.1° |
| F29 | C09 | C10 | H101 | 0.1° | 0.0° |
| C08 | N03 | C04 | C02 | 178.5° | 180.0° |
| C08 | N03 | C04 | C05 | 176.1° | 152.8° |
| C08 | N03 | C02 | C01 | 135.4° | 126.9° |
| C08 | N03 | C02 | H022 | 15.0° | 7.3° |
| C08 | N03 | C02 | H021 | 104.1° | 113.4° |
| C08 | N03 | C04 | H041 | 3.9° | 27.2° |
| N03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C04 | N03 | C02 | C01 | 46.1° | 53.1° |
| N03 | C04 | C05 | C06 | 24.9° | 0.9° |
| C04 | N03 | C02 | H022 | 166.5° | 172.7° |
| C04 | N03 | C02 | H021 | 74.4° | 66.6° |
| N03 | C04 | C05 | H2 | 155.1° | 179.1° |
| C02 | N03 | C04 | C05 | 5.3° | 27.2° |
| N03 | C02 | C01 | H022 | 120.4° | 119.6° |
| N03 | C02 | C01 | H021 | 120.4° | 119.7° |
| N03 | C02 | C01 | C06 | 58.4° | 49.8° |
| N03 | C02 | C01 | H011 | 62.0° | 169.7° |
| N03 | C02 | C01 | H012 | 178.7° | 70.1° |
| N03 | C02 | H022 | H021 | 118.7° | 120.6° |
| C02 | N03 | C04 | H041 | 174.6° | 152.8° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 12.4° | 1.0° |
| C04 | C05 | C06 | O07 | 167.6° | 178.9° |
| C02 | C01 | C06 | C05 | 27.9° | 27.6° |
| C02 | C01 | C06 | H011 | 120.4° | 119.8° |
| C02 | C01 | C06 | H012 | 120.3° | 120.0° |
| C02 | C01 | C06 | O07 | 152.1° | 152.3° |
| C02 | C01 | H011 | H012 | 118.9° | 120.3° |
| C01 | C02 | H022 | H021 | 118.8° | 120.7° |
| C05 | C06 | C01 | O07 | 180.0° | 179.9° |
| C05 | C06 | C01 | H011 | 92.4° | 147.4° |
| C05 | C06 | C01 | H012 | 148.2° | 92.4° |
| C06 | C05 | C04 | H041 | 155.2° | 179.1° |
| C06 | C01 | H011 | H012 | 118.9° | 120.2° |
| C06 | C01 | C02 | H022 | 178.8° | 169.4° |
| C06 | C01 | C02 | H021 | 62.0° | 69.8° |
| C01 | C06 | C05 | H2 | 167.6° | 178.9° |
| O07 | C06 | C01 | H011 | 87.5° | 32.5° |
| O07 | C06 | C01 | H012 | 31.8° | 87.7° |
| O07 | C06 | C05 | H2 | 12.5° | 1.2° |
| H011 | C01 | C02 | H022 | 58.5° | 70.7° |
| H011 | C01 | C02 | H021 | 177.6° | 50.0° |
| H012 | C01 | C02 | H022 | 60.8° | 49.5° |
| H012 | C01 | C02 | H021 | 58.3° | 170.2° |
| H041 | C04 | C05 | H2 | 24.9° | 0.8° |
| H171 | C17 | C18 | H181 | 5.9° | 0.1° |
| H172 | C17 | C18 | H181 | 115.0° | 122.7° |
| H181 | C18 | C22 | H222 | 75.4° | 178.7° |
| H181 | C18 | C22 | H221 | 44.3° | 58.7° |
| H222 | C22 | N23 | H231 | 154.8° | 119.9° |
| H221 | C22 | N23 | H231 | 35.1° | 120.1° |
| H271 | C27 | C28 | H281 | 0.1° | 0.0° |
