RIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C08 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C08 | N09 | sing | 1.46Å | 1.46Å | |
| O24 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| N09 | C10 | sing | 1.38Å | 1.45Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N23 | doub | 1.33Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | F18 | sing | 1.35Å | 1.36Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N19 | sing | 1.38Å | 1.34Å | Aromatic |
| C22 | N21 | doub | 1.32Å | 1.31Å | Aromatic |
| C20 | N19 | sing | 1.37Å | 1.33Å | Aromatic |
| C20 | N21 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 118.6° | 109.5° |
| C06 | C07 | C08 | 109.5° | 109.5° |
| C07 | C06 | H061 | 107.1° | 109.4° |
| C07 | C06 | H062 | 107.1° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.4° | 109.4° |
| C06 | C05 | C04 | 112.1° | 109.5° |
| C06 | C05 | H052 | 108.8° | 109.5° |
| C06 | C05 | H051 | 108.8° | 109.5° |
| C05 | C06 | H061 | 107.2° | 109.5° |
| C05 | C06 | H062 | 107.2° | 109.5° |
| C07 | C08 | C03 | 104.4° | 109.4° |
| C07 | C08 | N09 | 104.2° | 109.5° |
| C08 | C07 | H071 | 109.5° | 109.5° |
| C08 | C07 | H072 | 109.5° | 109.5° |
| C07 | C08 | H081 | 110.6° | 109.5° |
| C05 | C04 | C03 | 109.6° | 109.5° |
| C05 | C04 | H042 | 109.4° | 109.5° |
| C05 | C04 | H041 | 109.4° | 109.5° |
| C04 | C05 | H052 | 108.8° | 109.5° |
| C04 | C05 | H051 | 108.8° | 109.4° |
| C04 | C03 | C08 | 109.7° | 109.4° |
| C04 | C03 | C02 | 112.1° | 109.5° |
| C04 | C03 | H031 | 108.2° | 109.5° |
| C03 | C04 | H042 | 109.4° | 109.5° |
| C03 | C04 | H041 | 109.4° | 109.4° |
| C08 | C03 | C02 | 110.5° | 109.4° |
| C03 | C08 | N09 | 115.6° | 109.5° |
| C08 | C03 | H031 | 108.2° | 109.5° |
| C03 | C08 | H081 | 110.3° | 109.5° |
| C03 | C02 | O24 | 119.3° | 120.0° |
| C03 | C02 | O01 | 120.6° | 120.0° |
| C02 | C03 | H031 | 108.1° | 109.5° |
| C08 | N09 | C10 | 128.6° | 120.0° |
| N09 | C08 | H081 | 111.4° | 109.5° |
| C08 | N09 | H091 | 104.5° | 120.0° |
| O24 | C02 | O01 | 120.2° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| N09 | C10 | N23 | 116.7° | 120.8° |
| N09 | C10 | C11 | 123.6° | 120.8° |
| C10 | N09 | H091 | 104.5° | 120.0° |
| C16 | C17 | C12 | 120.2° | 119.8° |
| C17 | C16 | C15 | 120.1° | 120.2° |
| C17 | C16 | H161 | 119.9° | 119.9° |
| C16 | C17 | H171 | 119.9° | 120.1° |
| C17 | C12 | C11 | 135.5° | 133.7° |
| C17 | C12 | C13 | 119.1° | 120.0° |
| C12 | C17 | H171 | 119.9° | 120.1° |
| C16 | C15 | F18 | 120.0° | 119.7° |
| C16 | C15 | C14 | 119.9° | 120.5° |
| C15 | C16 | H161 | 119.9° | 119.9° |
| N23 | C10 | C11 | 119.6° | 118.4° |
| C10 | N23 | C22 | 121.5° | 120.9° |
| C10 | C11 | C12 | 137.1° | 134.6° |
| C10 | C11 | C20 | 116.7° | 118.8° |
| C11 | C12 | C13 | 105.4° | 106.2° |
| C12 | C11 | C20 | 106.2° | 106.6° |
| C12 | C13 | C14 | 120.8° | 119.3° |
| C12 | C13 | N19 | 109.5° | 108.3° |
| F18 | C15 | C14 | 120.1° | 119.8° |
| C15 | C14 | C13 | 119.9° | 120.1° |
| C15 | C14 | H141 | 120.1° | 120.0° |
| N23 | C22 | N21 | 120.7° | 122.6° |
| N23 | C22 | H221 | 119.6° | 118.7° |
| C11 | C20 | N19 | 109.1° | 108.4° |
| C11 | C20 | N21 | 119.8° | 118.4° |
| C14 | C13 | N19 | 129.7° | 132.3° |
| C13 | C14 | H141 | 120.1° | 120.0° |
| C13 | N19 | C20 | 109.8° | 110.5° |
| C13 | N19 | H191 | 125.2° | 124.8° |
| C22 | N21 | C20 | 121.7° | 120.9° |
| N21 | C22 | H221 | 119.6° | 118.8° |
| N19 | C20 | N21 | 131.1° | 133.2° |
| C20 | N19 | H191 | 125.1° | 124.7° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H061 | 121.3° | 120.0° |
| C07 | C06 | C05 | H062 | 121.3° | 120.0° |
| C06 | C07 | C08 | H071 | 120.0° | 120.0° |
| C06 | C07 | C08 | H072 | 120.0° | 120.0° |
| C07 | C06 | C05 | C04 | 49.2° | 60.0° |
| C06 | C07 | C08 | C03 | 43.5° | 60.0° |
| C06 | C07 | C08 | N09 | 78.1° | 60.0° |
| C07 | C06 | C05 | H052 | 169.5° | 179.9° |
| C07 | C06 | C05 | H051 | 71.2° | 60.0° |
| C07 | C06 | H061 | H062 | 115.9° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 119.9° |
| C06 | C07 | C08 | H081 | 162.1° | 180.0° |
| C05 | C06 | C07 | C08 | 16.5° | 60.0° |
| C06 | C05 | C04 | H052 | 120.4° | 120.0° |
| C06 | C05 | C04 | H051 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 14.9° | 60.0° |
| C06 | C05 | C04 | H042 | 105.2° | 60.0° |
| C06 | C05 | C04 | H041 | 134.9° | 180.0° |
| C06 | C05 | H052 | H051 | 118.8° | 120.0° |
| C05 | C06 | H061 | H062 | 115.9° | 120.0° |
| C05 | C06 | C07 | H071 | 103.5° | 180.0° |
| C05 | C06 | C07 | H072 | 136.5° | 60.0° |
| C07 | C08 | C03 | C04 | 79.8° | 60.0° |
| C07 | C08 | C03 | N09 | 113.7° | 120.0° |
| C07 | C08 | C03 | H081 | 118.8° | 120.0° |
| C07 | C08 | C03 | C02 | 156.1° | 180.0° |
| C07 | C08 | N09 | H081 | 119.2° | 120.0° |
| C07 | C08 | N09 | C10 | 151.2° | 85.0° |
| C07 | C08 | C03 | H031 | 38.0° | 60.0° |
| C08 | C07 | C06 | H061 | 104.8° | 60.0° |
| C08 | C07 | C06 | H062 | 137.8° | 180.0° |
| C08 | C07 | H071 | H072 | 120.0° | 120.0° |
| C07 | C08 | N09 | H091 | 86.3° | 94.9° |
| C05 | C04 | C03 | H042 | 120.0° | 120.1° |
| C05 | C04 | C03 | H041 | 120.0° | 120.0° |
| C05 | C04 | C03 | C08 | 46.4° | 60.0° |
| C05 | C04 | C03 | C02 | 169.5° | 180.0° |
| C05 | C04 | C03 | H031 | 71.4° | 59.9° |
| C05 | C04 | H042 | H041 | 119.9° | 120.0° |
| C04 | C05 | H052 | H051 | 118.8° | 120.0° |
| C04 | C05 | C06 | H061 | 72.1° | 60.0° |
| C04 | C05 | C06 | H062 | 170.5° | 180.0° |
| C04 | C03 | C08 | C02 | 124.1° | 120.0° |
| C04 | C03 | C08 | H031 | 117.8° | 120.0° |
| C04 | C03 | C02 | H031 | 119.1° | 120.1° |
| C04 | C03 | C08 | N09 | 33.9° | 60.0° |
| C04 | C03 | C02 | O24 | 156.3° | 120.0° |
| C04 | C03 | C02 | O01 | 23.6° | 60.0° |
| C03 | C04 | H042 | H041 | 119.9° | 119.9° |
| C03 | C04 | C05 | H052 | 135.2° | 180.0° |
| C03 | C04 | C05 | H051 | 105.5° | 59.9° |
| C04 | C03 | C08 | H081 | 161.4° | 180.0° |
| C08 | C03 | C02 | H031 | 118.2° | 120.0° |
| C03 | C08 | N09 | H081 | 126.9° | 120.0° |
| C08 | C03 | C02 | O24 | 81.0° | 0.0° |
| C08 | C03 | C02 | O01 | 99.1° | 180.0° |
| C03 | C08 | N09 | C10 | 95.0° | 155.0° |
| C08 | C03 | C04 | H042 | 166.4° | 60.0° |
| C08 | C03 | C04 | H041 | 73.6° | 180.0° |
| C03 | C08 | C07 | H071 | 163.5° | 180.0° |
| C03 | C08 | C07 | H072 | 76.5° | 60.0° |
| C03 | C08 | N09 | H091 | 27.5° | 25.0° |
| C02 | C03 | C08 | N09 | 90.1° | 60.0° |
| C03 | C02 | O24 | O01 | 179.9° | 180.0° |
| C02 | C03 | C04 | H042 | 70.5° | 59.9° |
| C02 | C03 | C04 | H041 | 49.5° | 60.0° |
| C02 | C03 | C08 | H081 | 37.4° | 60.1° |
| C03 | C02 | O01 | H1 | 179.9° | 180.0° |
| C08 | N09 | C10 | H091 | 122.5° | 179.9° |
| C08 | N09 | C10 | N23 | 121.5° | 0.0° |
| C08 | N09 | C10 | C11 | 62.7° | 180.0° |
| N09 | C08 | C03 | H031 | 151.7° | 180.0° |
| N09 | C08 | C07 | H071 | 41.9° | 60.0° |
| N09 | C08 | C07 | H072 | 161.9° | 180.0° |
| O24 | C02 | C03 | H031 | 37.2° | 120.0° |
| O24 | C02 | O01 | H1 | 0.0° | 0.0° |
| O01 | C02 | C03 | H031 | 142.7° | 60.0° |
| N09 | C10 | N23 | C11 | 176.0° | 180.0° |
| N09 | C10 | C11 | C12 | 3.5° | 0.0° |
| N09 | C10 | N23 | C22 | 178.2° | 179.9° |
| N09 | C10 | C11 | C20 | 177.7° | 180.0° |
| C10 | N09 | C08 | H081 | 32.0° | 35.0° |
| C16 | C17 | C12 | H171 | 180.0° | 180.0° |
| C17 | C16 | C15 | H161 | 180.0° | 179.8° |
| C16 | C17 | C12 | C11 | 179.9° | 180.0° |
| C16 | C17 | C12 | C13 | 0.3° | 0.6° |
| C17 | C16 | C15 | F18 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.6° | 0.3° |
| C12 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C12 | C11 | C10 | 1.6° | 0.0° |
| C17 | C12 | C11 | C13 | 179.7° | 179.5° |
| C17 | C12 | C11 | C20 | 179.6° | 180.0° |
| C17 | C12 | C13 | C14 | 0.4° | 0.8° |
| C17 | C12 | C13 | N19 | 179.7° | 179.6° |
| C12 | C17 | C16 | H161 | 179.8° | 179.8° |
| C16 | C15 | F18 | C14 | 179.5° | 180.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 179.6° | 180.0° |
| N23 | C10 | C11 | C12 | 179.3° | 180.0° |
| N23 | C10 | C11 | C20 | 2.0° | 0.1° |
| C10 | N23 | C22 | N21 | 1.0° | 0.1° |
| C10 | N23 | C22 | H221 | 179.0° | 180.0° |
| N23 | C10 | N09 | H091 | 1.1° | 179.9° |
| C10 | C11 | C12 | C20 | 178.8° | 180.0° |
| C10 | C11 | C12 | C13 | 178.7° | 179.5° |
| C11 | C10 | N23 | C22 | 2.1° | 0.1° |
| C10 | C11 | C20 | N19 | 178.9° | 179.2° |
| C10 | C11 | C20 | N21 | 0.7° | 0.1° |
| C11 | C10 | N09 | H091 | 174.8° | 0.1° |
| C11 | C12 | C13 | C14 | 179.9° | 179.6° |
| C11 | C12 | C13 | N19 | 0.0° | 0.0° |
| C12 | C11 | C20 | N19 | 0.2° | 0.8° |
| C12 | C11 | C20 | N21 | 179.9° | 180.0° |
| C11 | C12 | C17 | H171 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.5° |
| C13 | C12 | C11 | C20 | 0.1° | 0.5° |
| C12 | C13 | C14 | N19 | 179.8° | 179.4° |
| C12 | C13 | N19 | C20 | 0.1° | 0.5° |
| C13 | C12 | C17 | H171 | 179.7° | 179.4° |
| C12 | C13 | C14 | H141 | 179.9° | 179.5° |
| C12 | C13 | N19 | H191 | 179.9° | 179.5° |
| F18 | C15 | C14 | C13 | 179.9° | 180.0° |
| F18 | C15 | C16 | H161 | 0.0° | 0.0° |
| F18 | C15 | C14 | H141 | 0.1° | 0.0° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | N19 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 179.4° | 180.0° |
| N23 | C22 | N21 | H221 | 180.0° | 179.9° |
| N23 | C22 | N21 | C20 | 0.3° | 0.1° |
| C11 | C20 | N19 | C13 | 0.2° | 0.8° |
| C11 | C20 | N21 | C22 | 0.4° | 0.1° |
| C11 | C20 | N19 | N21 | 179.6° | 179.0° |
| C11 | C20 | N19 | H191 | 179.8° | 179.8° |
| C14 | C13 | N19 | C20 | 179.9° | 179.0° |
| C14 | C13 | N19 | H191 | 0.1° | 0.0° |
| C13 | N19 | C20 | H191 | 180.0° | 179.0° |
| C13 | N19 | C20 | N21 | 179.8° | 179.8° |
| N19 | C13 | C14 | H141 | 0.1° | 0.1° |
| C22 | N21 | C20 | N19 | 180.0° | 179.0° |
| C20 | N21 | C22 | H221 | 179.7° | 180.0° |
| N21 | C20 | N19 | H191 | 0.2° | 1.2° |
| H161 | C16 | C17 | H171 | 0.2° | 0.2° |
| H031 | C03 | C04 | H042 | 48.6° | NaN° |
| H031 | C03 | C04 | H041 | 168.6° | 60.0° |
| H031 | C03 | C08 | H081 | 80.8° | 60.0° |
| H042 | C04 | C05 | H052 | 15.2° | 60.0° |
| H042 | C04 | C05 | H051 | 134.4° | 180.0° |
| H041 | C04 | C05 | H052 | 104.7° | 60.1° |
| H041 | C04 | C05 | H051 | 14.5° | 60.0° |
| H052 | C05 | C06 | H061 | 48.2° | 60.0° |
| H052 | C05 | C06 | H062 | 69.2° | 60.0° |
| H051 | C05 | C06 | H061 | 167.5° | 179.9° |
| H051 | C05 | C06 | H062 | 50.1° | 60.0° |
| H061 | C06 | C07 | H071 | 135.2° | 60.1° |
| H061 | C06 | C07 | H072 | 15.2° | 180.0° |
| H062 | C06 | C07 | H071 | 17.8° | 59.9° |
| H062 | C06 | C07 | H072 | 102.2° | 60.0° |
| H071 | C07 | C08 | H081 | 77.9° | 60.0° |
| H072 | C07 | C08 | H081 | 42.1° | 60.0° |
| H081 | C08 | N09 | H091 | 154.5° | 145.1° |
