RZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | N04 | sing | 1.40Å | 1.39Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| N04 | C05 | doub | 1.29Å | 1.45Å | |
| C07 | C08 | sing | 1.53Å | 1.45Å | |
| C07 | C06 | sing | 1.53Å | 1.45Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C02 | O21 | sing | 1.34Å | 1.41Å | |
| C05 | C06 | sing | 1.51Å | 1.59Å | |
| C05 | O21 | sing | 1.35Å | 1.41Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C06 | C20 | sing | 1.53Å | 1.55Å | |
| C09 | N10 | sing | 1.47Å | 1.52Å | |
| C20 | N10 | sing | 1.47Å | 1.52Å | |
| N10 | C11 | sing | 1.38Å | 1.45Å | |
| C11 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | N19 | sing | 1.33Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.46Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.38Å | Aromatic |
| C12 | C16 | sing | 1.41Å | 1.37Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | N15 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.36Å | Aromatic |
| C16 | N17 | doub | 1.33Å | 1.36Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.32Å | Aromatic |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | N03 | C02 | 107.9° | 106.7° |
| N03 | N04 | C05 | 108.1° | 107.9° |
| N04 | N03 | H031 | 126.0° | 126.6° |
| N03 | C02 | O01 | 125.9° | 126.4° |
| N03 | C02 | O21 | 108.0° | 107.3° |
| C02 | N03 | H031 | 126.0° | 126.7° |
| N04 | C05 | C06 | 124.9° | 125.4° |
| N04 | C05 | O21 | 108.0° | 109.3° |
| C08 | C07 | C06 | 116.7° | 109.1° |
| C07 | C08 | C09 | 113.5° | 109.3° |
| C08 | C07 | H072 | 107.6° | 109.5° |
| C08 | C07 | H071 | 107.6° | 109.6° |
| C07 | C08 | H082 | 108.5° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.4° |
| C07 | C06 | C05 | 111.2° | 109.5° |
| C07 | C06 | C20 | 114.6° | 109.3° |
| C07 | C06 | H061 | 107.8° | 109.6° |
| C06 | C07 | H072 | 107.6° | 109.5° |
| C06 | C07 | H071 | 107.7° | 109.6° |
| O01 | C02 | O21 | 126.1° | 126.4° |
| C02 | O21 | C05 | 108.0° | 108.9° |
| C06 | C05 | O21 | 127.1° | 125.3° |
| C05 | C06 | C20 | 109.9° | 109.5° |
| C05 | C06 | H061 | 106.2° | 109.6° |
| C08 | C09 | N10 | 113.1° | 109.6° |
| C09 | C08 | H082 | 108.4° | 109.5° |
| C09 | C08 | H081 | 108.4° | 109.5° |
| C08 | C09 | H091 | 108.6° | 109.4° |
| C08 | C09 | H092 | 108.6° | 109.5° |
| C06 | C20 | N10 | 114.9° | 109.5° |
| C20 | C06 | H061 | 106.7° | 109.5° |
| C06 | C20 | H202 | 108.1° | 109.5° |
| C06 | C20 | H201 | 108.1° | 109.4° |
| C09 | N10 | C20 | 106.3° | 111.2° |
| C09 | N10 | C11 | 120.7° | 111.0° |
| N10 | C09 | H091 | 108.6° | 109.5° |
| N10 | C09 | H092 | 108.5° | 109.5° |
| C20 | N10 | C11 | 115.6° | 111.0° |
| N10 | C20 | H202 | 108.1° | 109.5° |
| N10 | C20 | H201 | 108.1° | 109.5° |
| N10 | C11 | C12 | 121.3° | 120.8° |
| N10 | C11 | N19 | 119.2° | 120.8° |
| C12 | C11 | N19 | 119.5° | 118.3° |
| C11 | C12 | C13 | 137.1° | 135.2° |
| C11 | C12 | C16 | 117.7° | 118.7° |
| C11 | N19 | C18 | 120.7° | 121.0° |
| C12 | C13 | C14 | 107.5° | 106.9° |
| C13 | C12 | C16 | 105.2° | 106.2° |
| C12 | C13 | H131 | 126.3° | 126.6° |
| C13 | C14 | N15 | 108.3° | 109.8° |
| C14 | C13 | H131 | 126.3° | 126.6° |
| C13 | C14 | H141 | 125.8° | 125.1° |
| C12 | C16 | N15 | 109.4° | 107.2° |
| C12 | C16 | N17 | 119.5° | 118.5° |
| N19 | C18 | N17 | 121.7° | 122.7° |
| N19 | C18 | H181 | 119.1° | 118.7° |
| C14 | N15 | C16 | 109.6° | 110.0° |
| N15 | C14 | H141 | 125.9° | 125.1° |
| C14 | N15 | H151 | 125.2° | 124.9° |
| N15 | C16 | N17 | 131.1° | 134.3° |
| C16 | N15 | H151 | 125.2° | 125.0° |
| C16 | N17 | C18 | 120.8° | 120.7° |
| N17 | C18 | H181 | 119.1° | 118.6° |
| H072 | C07 | H071 | 109.4° | 109.6° |
| H082 | C08 | H081 | 109.5° | 109.6° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | N03 | C02 | H031 | 180.0° | 179.9° |
| N04 | N03 | C02 | O01 | 180.0° | 179.9° |
| N04 | N03 | C02 | O21 | 0.1° | 0.3° |
| N03 | N04 | C05 | C06 | 179.4° | 179.8° |
| N03 | N04 | C05 | O21 | 0.5° | 0.3° |
| C02 | N03 | N04 | C05 | 0.3° | 0.0° |
| N03 | C02 | O01 | O21 | 180.0° | 179.6° |
| N03 | C02 | O21 | C05 | 0.4° | 0.4° |
| N04 | C05 | C06 | C07 | 79.5° | 94.3° |
| N04 | C05 | O21 | C02 | 0.6° | 0.4° |
| N04 | C05 | C06 | O21 | 178.7° | 179.5° |
| N04 | C05 | C06 | C20 | 152.5° | 25.5° |
| N04 | C05 | C06 | H061 | 37.5° | 145.5° |
| C05 | N04 | N03 | H031 | 179.7° | 179.9° |
| C08 | C07 | C06 | H072 | 121.0° | 119.9° |
| C08 | C07 | C06 | H071 | 121.1° | 120.0° |
| C08 | C07 | C06 | C05 | 77.4° | 177.6° |
| C07 | C08 | C09 | H082 | 120.6° | 119.9° |
| C07 | C08 | C09 | H081 | 120.6° | 119.9° |
| C08 | C07 | C06 | C20 | 47.9° | 57.7° |
| C07 | C08 | C09 | N10 | 33.4° | 59.2° |
| C08 | C07 | C06 | H061 | 166.5° | 62.2° |
| C08 | C07 | H072 | H071 | 116.7° | 120.2° |
| C07 | C08 | H082 | H081 | 118.2° | 120.1° |
| C07 | C08 | C09 | H091 | 153.9° | 179.2° |
| C07 | C08 | C09 | H092 | 87.2° | 60.9° |
| C07 | C06 | C05 | C20 | 128.0° | 119.8° |
| C07 | C06 | C05 | H061 | 117.0° | 120.2° |
| C07 | C06 | C05 | O21 | 101.8° | 85.2° |
| C06 | C07 | C08 | C09 | 23.8° | 57.7° |
| C07 | C06 | C20 | H061 | 119.2° | 120.0° |
| C07 | C06 | C20 | N10 | 13.5° | 59.2° |
| C06 | C07 | H072 | H071 | 116.7° | 120.2° |
| C06 | C07 | C08 | H082 | 144.4° | 62.3° |
| C06 | C07 | C08 | H081 | 96.8° | 177.6° |
| C07 | C06 | C20 | H202 | 134.2° | 60.8° |
| C07 | C06 | C20 | H201 | 107.3° | 179.2° |
| O01 | C02 | O21 | C05 | 179.6° | 179.9° |
| O01 | C02 | N03 | H031 | 0.0° | 0.1° |
| C02 | O21 | C05 | C06 | 179.4° | 180.0° |
| O21 | C02 | N03 | H031 | 180.0° | 179.8° |
| C05 | C06 | C20 | H061 | 114.7° | 120.1° |
| C05 | C06 | C20 | N10 | 112.6° | 179.1° |
| C05 | C06 | C07 | H072 | 43.6° | 62.6° |
| C05 | C06 | C07 | H071 | 161.5° | 57.6° |
| C05 | C06 | C20 | H202 | 8.1° | 59.1° |
| C05 | C06 | C20 | H201 | 126.6° | 60.9° |
| O21 | C05 | C06 | C20 | 26.2° | 155.0° |
| O21 | C05 | C06 | H061 | 141.2° | 35.0° |
| C08 | C09 | N10 | H091 | 120.5° | 120.0° |
| C08 | C09 | N10 | H092 | 120.5° | 120.1° |
| C08 | C09 | N10 | C20 | 63.9° | 61.7° |
| C08 | C09 | N10 | C11 | 161.9° | 174.1° |
| C09 | C08 | C07 | H072 | 144.8° | 177.5° |
| C09 | C08 | C07 | H071 | 97.3° | 62.3° |
| C09 | C08 | H082 | H081 | 118.1° | 120.2° |
| C08 | C09 | H091 | H092 | 118.3° | 120.0° |
| C06 | C20 | N10 | C09 | 38.9° | 61.7° |
| C06 | C20 | N10 | H202 | 120.8° | 120.0° |
| C06 | C20 | N10 | H201 | 120.8° | 120.0° |
| C06 | C20 | N10 | C11 | 175.7° | 174.2° |
| C20 | C06 | C07 | H072 | 169.0° | 177.5° |
| C20 | C06 | C07 | H071 | 73.1° | 62.3° |
| C06 | C20 | H202 | H201 | 117.5° | 119.9° |
| C09 | N10 | C20 | C11 | 136.9° | 124.1° |
| C09 | N10 | C11 | C12 | 9.4° | 56.1° |
| C09 | N10 | C11 | N19 | 172.0° | 124.3° |
| N10 | C09 | C08 | H082 | 87.2° | 60.7° |
| N10 | C09 | C08 | H081 | 154.0° | 179.1° |
| N10 | C09 | H091 | H092 | 118.3° | 120.0° |
| C09 | N10 | C20 | H202 | 81.9° | 58.3° |
| C09 | N10 | C20 | H201 | 159.7° | 178.3° |
| C20 | N10 | C11 | C12 | 120.9° | 179.7° |
| C20 | N10 | C11 | N19 | 57.8° | 0.1° |
| N10 | C20 | C06 | H061 | 132.6° | 60.8° |
| C20 | N10 | C09 | H091 | 175.6° | 178.3° |
| C20 | N10 | C09 | H092 | 56.7° | 58.3° |
| N10 | C20 | H202 | H201 | 117.6° | 120.0° |
| N10 | C11 | C12 | N19 | 178.6° | 179.7° |
| N10 | C11 | C12 | C13 | 1.4° | 0.3° |
| N10 | C11 | C12 | C16 | 179.5° | 179.8° |
| N10 | C11 | N19 | C18 | 179.3° | 179.8° |
| C11 | N10 | C09 | H091 | 41.4° | 54.1° |
| C11 | N10 | C09 | H092 | 77.5° | 65.8° |
| C11 | N10 | C20 | H202 | 55.0° | 65.8° |
| C11 | N10 | C20 | H201 | 63.5° | 54.1° |
| C11 | C12 | C13 | C16 | 179.2° | 179.9° |
| C11 | C12 | C13 | C14 | 179.2° | 179.9° |
| C12 | C11 | N19 | C18 | 0.7° | 0.1° |
| C11 | C12 | C16 | N15 | 179.4° | 180.0° |
| C11 | C12 | C16 | N17 | 0.6° | 0.1° |
| C11 | C12 | C13 | H131 | 0.8° | 0.1° |
| N19 | C11 | C12 | C13 | 180.0° | 180.0° |
| N19 | C11 | C12 | C16 | 0.9° | 0.1° |
| C11 | N19 | C18 | N17 | 0.2° | 0.1° |
| C11 | N19 | C18 | H181 | 179.8° | 180.0° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 0.0° | 0.0° |
| C13 | C12 | C16 | N15 | 0.1° | 0.1° |
| C13 | C12 | C16 | N17 | 179.9° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 179.9° |
| C14 | C13 | C12 | C16 | 0.0° | 0.0° |
| C13 | C14 | N15 | H141 | 180.0° | 179.9° |
| C13 | C14 | N15 | C16 | 0.1° | 0.0° |
| C13 | C14 | N15 | H151 | 179.9° | 180.0° |
| C12 | C16 | N15 | C14 | 0.1° | 0.1° |
| C12 | C16 | N15 | N17 | 180.0° | 179.9° |
| C12 | C16 | N17 | C18 | 0.1° | 0.1° |
| C16 | C12 | C13 | H131 | 180.0° | 180.0° |
| C12 | C16 | N15 | H151 | 179.9° | 179.9° |
| N19 | C18 | N17 | C16 | 0.1° | 0.1° |
| N19 | C18 | N17 | H181 | 180.0° | 179.9° |
| C14 | N15 | C16 | H151 | 180.0° | 180.0° |
| C14 | N15 | C16 | N17 | 179.9° | 180.0° |
| N15 | C14 | C13 | H131 | 180.0° | 180.0° |
| N15 | C16 | N17 | C18 | 179.9° | 180.0° |
| C16 | N15 | C14 | H141 | 179.9° | 179.9° |
| C16 | N17 | C18 | H181 | 179.9° | 180.0° |
| N17 | C16 | N15 | H151 | 0.0° | 0.0° |
| H061 | C06 | C07 | H072 | 72.5° | 57.6° |
| H061 | C06 | C07 | H071 | 45.4° | 177.8° |
| H061 | C06 | C20 | H202 | 106.6° | 179.2° |
| H061 | C06 | C20 | H201 | 11.8° | 59.3° |
| H072 | C07 | C08 | H082 | 94.6° | 57.6° |
| H072 | C07 | C08 | H081 | 24.2° | 62.6° |
| H071 | C07 | C08 | H082 | 23.3° | 177.8° |
| H071 | C07 | C08 | H081 | 142.1° | 57.6° |
| H082 | C08 | C09 | H091 | 33.3° | 59.3° |
| H082 | C08 | C09 | H092 | 152.2° | 179.2° |
| H081 | C08 | C09 | H091 | 85.4° | 60.9° |
| H081 | C08 | C09 | H092 | 33.5° | 59.0° |
| H131 | C13 | C14 | H141 | 0.0° | 0.1° |
| H141 | C14 | N15 | H151 | 0.0° | 0.1° |
