ZTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N28 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | N26 | sing | 1.31Å | 1.32Å | Aromatic |
| N28 | C02 | sing | 1.33Å | 1.32Å | Aromatic |
| N26 | C04 | doub | 1.35Å | 1.34Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.42Å | |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.52Å | Aromatic |
| C03 | S25 | sing | 1.76Å | 1.71Å | Aromatic |
| C05 | C06 | doub | 1.34Å | 1.42Å | Aromatic |
| S25 | C06 | sing | 1.76Å | 1.68Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.52Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C24 | sing | 1.40Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | S12 | sing | 1.76Å | 1.84Å | |
| O23 | S12 | doub | 1.42Å | 1.46Å | |
| S12 | O13 | doub | 1.42Å | 1.50Å | |
| S12 | N14 | sing | 1.66Å | 1.73Å | |
| O22 | C15 | doub | 1.21Å | 1.23Å | |
| N14 | C15 | sing | 1.35Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C16 | N21 | sing | 1.47Å | 1.43Å | |
| N19 | C18 | sing | 1.35Å | 1.45Å | |
| C18 | O20 | doub | 1.21Å | 1.17Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å | |
| N21 | H1 | sing | 1.01Å | 1.00Å | |
| N21 | H212 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C27 | N26 | 121.2° | 122.6° |
| C27 | N28 | C02 | 121.2° | 120.8° |
| N28 | C27 | H271 | 119.4° | 118.7° |
| C27 | N26 | C04 | 120.2° | 121.1° |
| N26 | C27 | H271 | 119.4° | 118.7° |
| N28 | C02 | N01 | 119.5° | 120.5° |
| N28 | C02 | C03 | 120.5° | 118.9° |
| N26 | C04 | C03 | 121.2° | 117.7° |
| N26 | C04 | C05 | 124.3° | 129.6° |
| N01 | C02 | C03 | 120.1° | 120.6° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.4° | 120.0° |
| C02 | C03 | C04 | 115.8° | 118.8° |
| C02 | C03 | S25 | 134.8° | 131.5° |
| C03 | C04 | C05 | 114.5° | 112.7° |
| C04 | C03 | S25 | 109.4° | 109.6° |
| C04 | C05 | C06 | 107.1° | 115.6° |
| C04 | C05 | H051 | 126.4° | 122.3° |
| C03 | S25 | C06 | 95.8° | 91.5° |
| C05 | C06 | S25 | 113.1° | 110.6° |
| C05 | C06 | C07 | 121.2° | 124.7° |
| C06 | C05 | H051 | 126.5° | 122.2° |
| S25 | C06 | C07 | 125.6° | 124.7° |
| C06 | C07 | C08 | 120.7° | 120.2° |
| C06 | C07 | C24 | 117.1° | 120.1° |
| C08 | C07 | C24 | 122.2° | 119.7° |
| C07 | C08 | C09 | 119.6° | 119.9° |
| C07 | C08 | H081 | 120.2° | 120.0° |
| C07 | C24 | C11 | 117.2° | 119.8° |
| C07 | C24 | H241 | 121.4° | 120.1° |
| C08 | C09 | C10 | 118.7° | 120.1° |
| C09 | C08 | H081 | 120.2° | 120.1° |
| C08 | C09 | H091 | 120.7° | 120.0° |
| C24 | C11 | C10 | 122.3° | 120.1° |
| C24 | C11 | S12 | 117.6° | 119.9° |
| C11 | C24 | H241 | 121.4° | 120.0° |
| C09 | C10 | C11 | 120.0° | 120.3° |
| C10 | C09 | H091 | 120.7° | 119.9° |
| C09 | C10 | H101 | 120.0° | 119.9° |
| C10 | C11 | S12 | 120.1° | 119.9° |
| C11 | C10 | H101 | 120.0° | 119.8° |
| C11 | S12 | O23 | 112.2° | 106.4° |
| C11 | S12 | O13 | 108.5° | 106.4° |
| C11 | S12 | N14 | 106.8° | 107.2° |
| O23 | S12 | O13 | 107.3° | 123.2° |
| O23 | S12 | N14 | 109.9° | 106.4° |
| O13 | S12 | N14 | 112.2° | 106.4° |
| S12 | N14 | C15 | 120.0° | 120.0° |
| S12 | N14 | H141 | 120.0° | 120.0° |
| O22 | C15 | N14 | 119.5° | 120.0° |
| O22 | C15 | C16 | 122.4° | 120.0° |
| N14 | C15 | C16 | 118.2° | 120.0° |
| C15 | N14 | H141 | 120.0° | 120.0° |
| C15 | C16 | C17 | 102.5° | 109.5° |
| C15 | C16 | N21 | 111.2° | 109.4° |
| C15 | C16 | H161 | 109.0° | 109.5° |
| C16 | C17 | C18 | 116.0° | 109.5° |
| C17 | C16 | N21 | 115.0° | 109.5° |
| C17 | C16 | H161 | 108.5° | 109.5° |
| C16 | C17 | H172 | 107.8° | 109.5° |
| C16 | C17 | H171 | 107.8° | 109.4° |
| C17 | C18 | N19 | 115.2° | 120.0° |
| C17 | C18 | O20 | 121.5° | 120.0° |
| C18 | C17 | H172 | 107.8° | 109.5° |
| C18 | C17 | H171 | 107.8° | 109.5° |
| N21 | C16 | H161 | 110.3° | 109.4° |
| C16 | N21 | H1 | 109.5° | 111.0° |
| C16 | N21 | H212 | 109.5° | 111.0° |
| N19 | C18 | O20 | 123.3° | 120.0° |
| C18 | N19 | H191 | 120.0° | 120.0° |
| C18 | N19 | H192 | 120.0° | 120.0° |
| H172 | C17 | H171 | 109.4° | 109.4° |
| H012 | N01 | H011 | 109.5° | 120.0° |
| H191 | N19 | H192 | 120.0° | 120.0° |
| H1 | N21 | H212 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C27 | N26 | H271 | 180.0° | 179.6° |
| N28 | C27 | N26 | C04 | 0.9° | 0.1° |
| C27 | N28 | C02 | N01 | 179.6° | 179.8° |
| C27 | N28 | C02 | C03 | 0.7° | 0.5° |
| N26 | C27 | N28 | C02 | 1.3° | 0.4° |
| C27 | N26 | C04 | C03 | 0.1° | 0.0° |
| C27 | N26 | C04 | C05 | 179.2° | 180.0° |
| N28 | C02 | N01 | C03 | 179.7° | 179.7° |
| N28 | C02 | C03 | C04 | 0.2° | 0.3° |
| N28 | C02 | C03 | S25 | 179.2° | 179.8° |
| C02 | N28 | C27 | H271 | 178.7° | 180.0° |
| N28 | C02 | N01 | H012 | 0.0° | 179.7° |
| N28 | C02 | N01 | H011 | 120.0° | 0.3° |
| N26 | C04 | C03 | C02 | 0.6° | 0.0° |
| N26 | C04 | C03 | C05 | 179.2° | 180.0° |
| N26 | C04 | C03 | S25 | 179.8° | 180.0° |
| N26 | C04 | C05 | C06 | 178.8° | 180.0° |
| N26 | C04 | C05 | H051 | 1.2° | 0.0° |
| C04 | N26 | C27 | H271 | 179.2° | 179.7° |
| N01 | C02 | C03 | C04 | 179.5° | 180.0° |
| N01 | C02 | C03 | S25 | 0.5° | 0.1° |
| C02 | N01 | H012 | H011 | 120.0° | 180.0° |
| C02 | C03 | C04 | S25 | 179.2° | 180.0° |
| C02 | C03 | C04 | C05 | 179.8° | 179.9° |
| C02 | C03 | S25 | C06 | 179.3° | 179.9° |
| C03 | C02 | N01 | H012 | 179.7° | 0.0° |
| C03 | C02 | N01 | H011 | 60.3° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | S25 | C06 | 1.7° | 0.0° |
| C03 | C04 | C05 | H051 | 179.7° | 179.9° |
| C05 | C04 | C03 | S25 | 1.0° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | S25 | 1.6° | 0.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C03 | S25 | C06 | C05 | 1.9° | 0.0° |
| C03 | S25 | C06 | C07 | 179.7° | 180.0° |
| C05 | C06 | S25 | C07 | 177.7° | 179.9° |
| C05 | C06 | C07 | C08 | 4.8° | 0.1° |
| C05 | C06 | C07 | C24 | 177.8° | 179.7° |
| S25 | C06 | C07 | C08 | 177.6° | 180.0° |
| S25 | C06 | C07 | C24 | 0.2° | 0.2° |
| S25 | C06 | C05 | H051 | 178.4° | 180.0° |
| C06 | C07 | C08 | C24 | 177.2° | 179.8° |
| C06 | C07 | C08 | C09 | 179.9° | 180.0° |
| C06 | C07 | C24 | C11 | 179.2° | 179.8° |
| C07 | C06 | C05 | H051 | 0.6° | 0.1° |
| C06 | C07 | C08 | H081 | 0.1° | 0.0° |
| C06 | C07 | C24 | H241 | 0.7° | 0.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C08 | C07 | C24 | C11 | 1.9° | 0.5° |
| C07 | C08 | C09 | C10 | 1.4° | 0.1° |
| C07 | C08 | C09 | H091 | 178.6° | 180.0° |
| C08 | C07 | C24 | H241 | 178.0° | 179.8° |
| C24 | C07 | C08 | C09 | 2.7° | 0.2° |
| C07 | C24 | C11 | H241 | 180.0° | 179.8° |
| C07 | C24 | C11 | C10 | 0.0° | 0.5° |
| C07 | C24 | C11 | S12 | 178.0° | 179.7° |
| C24 | C07 | C08 | H081 | 177.4° | 179.8° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.4° | 0.1° |
| C08 | C09 | C10 | H101 | 179.6° | 180.0° |
| C24 | C11 | C10 | C09 | 1.1° | 0.2° |
| C24 | C11 | C10 | S12 | 178.0° | 179.9° |
| C24 | C11 | S12 | O23 | 26.7° | 156.7° |
| C24 | C11 | S12 | O13 | 91.6° | 23.7° |
| C24 | C11 | S12 | N14 | 147.2° | 89.8° |
| C24 | C11 | C10 | H101 | 178.9° | 179.8° |
| C09 | C10 | C11 | H101 | 180.0° | 180.0° |
| C09 | C10 | C11 | S12 | 179.1° | 179.9° |
| C10 | C09 | C08 | H081 | 178.6° | 180.0° |
| C10 | C11 | S12 | O23 | 155.2° | 23.5° |
| C10 | C11 | S12 | O13 | 86.5° | 156.4° |
| C10 | C11 | S12 | N14 | 34.7° | 90.1° |
| C11 | C10 | C09 | H091 | 179.6° | 180.0° |
| C10 | C11 | C24 | H241 | 179.9° | 179.8° |
| C11 | S12 | O23 | O13 | 119.0° | 123.0° |
| C11 | S12 | O23 | N14 | 118.7° | 114.1° |
| C11 | S12 | O13 | N14 | 117.8° | 114.0° |
| C11 | S12 | N14 | C15 | 77.4° | 65.0° |
| S12 | C11 | C10 | H101 | 0.9° | 0.1° |
| S12 | C11 | C24 | H241 | 2.0° | 0.1° |
| C11 | S12 | N14 | H141 | 102.6° | 115.0° |
| O23 | S12 | O13 | N14 | 120.9° | 123.0° |
| O23 | S12 | N14 | C15 | 44.5° | 178.5° |
| O23 | S12 | N14 | H141 | 135.5° | 1.5° |
| O13 | S12 | N14 | C15 | 163.9° | 48.5° |
| O13 | S12 | N14 | H141 | 16.2° | 131.5° |
| S12 | N14 | C15 | O22 | 0.8° | 0.0° |
| S12 | N14 | C15 | H141 | 180.0° | 180.0° |
| S12 | N14 | C15 | C16 | 179.4° | 180.0° |
| O22 | C15 | N14 | C16 | 179.8° | 179.9° |
| O22 | C15 | C16 | C17 | 96.2° | 99.9° |
| O22 | C15 | C16 | N21 | 27.2° | 20.1° |
| O22 | C15 | C16 | H161 | 149.0° | 140.0° |
| O22 | C15 | N14 | H141 | 179.1° | 180.0° |
| N14 | C15 | C16 | C17 | 83.6° | 80.0° |
| N14 | C15 | C16 | N21 | 153.0° | 160.0° |
| N14 | C15 | C16 | H161 | 31.2° | 40.1° |
| C15 | C16 | C17 | N21 | 120.8° | 120.0° |
| C15 | C16 | C17 | H161 | 115.1° | 120.0° |
| C15 | C16 | C17 | C18 | 177.3° | 175.0° |
| C15 | C16 | N21 | H161 | 121.0° | 119.9° |
| C15 | C16 | C17 | H172 | 61.7° | 64.9° |
| C15 | C16 | C17 | H171 | 56.3° | 55.0° |
| C16 | C15 | N14 | H141 | 0.7° | 0.1° |
| C15 | C16 | N21 | H1 | 180.0° | 60.1° |
| C15 | C16 | N21 | H212 | 60.0° | 176.1° |
| C16 | C17 | C18 | H172 | 121.0° | 120.0° |
| C16 | C17 | C18 | H171 | 121.0° | 120.0° |
| C17 | C16 | N21 | H161 | 123.0° | 120.0° |
| C16 | C17 | C18 | N19 | 109.5° | 180.0° |
| C16 | C17 | C18 | O20 | 71.5° | 0.1° |
| C16 | C17 | H172 | H171 | 117.0° | 119.9° |
| C17 | C16 | N21 | H1 | 64.0° | 60.0° |
| C17 | C16 | N21 | H212 | 175.9° | 63.9° |
| C18 | C17 | C16 | N21 | 61.9° | 65.0° |
| C17 | C18 | N19 | O20 | 178.9° | 180.0° |
| C18 | C17 | C16 | H161 | 62.2° | 54.9° |
| C18 | C17 | H172 | H171 | 117.0° | 120.0° |
| C17 | C18 | N19 | H191 | 179.0° | 0.0° |
| C17 | C18 | N19 | H192 | 1.0° | 179.9° |
| N21 | C16 | C17 | H172 | 59.1° | 55.1° |
| N21 | C16 | C17 | H171 | 177.2° | 175.0° |
| C16 | N21 | H1 | H212 | 120.0° | 123.9° |
| N19 | C18 | C17 | H172 | 11.4° | 60.0° |
| N19 | C18 | C17 | H171 | 129.5° | 60.0° |
| C18 | N19 | H191 | H192 | 180.0° | 179.9° |
| O20 | C18 | C17 | H172 | 167.5° | 120.0° |
| O20 | C18 | C17 | H171 | 49.5° | 120.1° |
| O20 | C18 | N19 | H191 | 0.0° | 180.0° |
| O20 | C18 | N19 | H192 | 180.0° | 0.0° |
| H081 | C08 | C09 | H091 | 1.4° | 0.0° |
| H091 | C09 | C10 | H101 | 0.4° | 0.0° |
| H161 | C16 | C17 | H172 | 176.9° | 175.0° |
| H161 | C16 | C17 | H171 | 58.8° | 65.1° |
| H161 | C16 | N21 | H1 | 59.0° | 180.0° |
| H161 | C16 | N21 | H212 | 61.0° | 56.1° |
