RC3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C02 | doub | 1.21Å | 1.26Å | |
| O01 | C02 | sing | 1.34Å | 1.26Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| O22 | C21 | sing | 1.43Å | 1.43Å | |
| O22 | C04 | sing | 1.43Å | 1.44Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C20 | N06 | sing | 1.47Å | 1.42Å | |
| C05 | N06 | sing | 1.47Å | 1.41Å | |
| N06 | C07 | sing | 1.38Å | 1.45Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N19 | doub | 1.33Å | 1.33Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.43Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.32Å | Aromatic |
| C08 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N15 | sing | 1.38Å | 1.34Å | Aromatic |
| C18 | N17 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.34Å | Aromatic |
| C16 | N17 | sing | 1.33Å | 1.34Å | Aromatic |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | 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) |
| O23 | C02 | O01 | 120.0° | 120.0° |
| O23 | C02 | C03 | 120.1° | 120.0° |
| O01 | C02 | C03 | 119.9° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C02 | C03 | C04 | 112.2° | 109.5° |
| C02 | C03 | H032 | 108.8° | 109.5° |
| C02 | C03 | H031 | 108.8° | 109.5° |
| C21 | O22 | C04 | 119.5° | 113.7° |
| O22 | C21 | C20 | 112.8° | 109.3° |
| O22 | C21 | H212 | 108.7° | 109.5° |
| O22 | C21 | H211 | 108.7° | 109.5° |
| O22 | C04 | C03 | 105.7° | 109.5° |
| O22 | C04 | C05 | 117.6° | 109.3° |
| O22 | C04 | H041 | 109.6° | 109.6° |
| C03 | C04 | C05 | 106.8° | 109.5° |
| C04 | C03 | H032 | 108.8° | 109.5° |
| C04 | C03 | H031 | 108.8° | 109.4° |
| C03 | C04 | H041 | 108.4° | 109.5° |
| C21 | C20 | N06 | 104.7° | 109.3° |
| C21 | C20 | H201 | 110.7° | 109.5° |
| C21 | C20 | H202 | 110.7° | 109.5° |
| C20 | C21 | H212 | 108.6° | 109.5° |
| C20 | C21 | H211 | 108.7° | 109.5° |
| C04 | C05 | N06 | 112.4° | 109.2° |
| C05 | C04 | H041 | 108.3° | 109.5° |
| C04 | C05 | H051 | 108.7° | 109.5° |
| C04 | C05 | H052 | 108.7° | 109.5° |
| C20 | N06 | C05 | 109.3° | 110.7° |
| C20 | N06 | C07 | 117.8° | 111.0° |
| N06 | C20 | H201 | 110.6° | 109.5° |
| N06 | C20 | H202 | 110.6° | 109.5° |
| C05 | N06 | C07 | 112.6° | 111.0° |
| N06 | C05 | H051 | 108.7° | 109.5° |
| N06 | C05 | H052 | 108.7° | 109.5° |
| N06 | C07 | N19 | 118.6° | 120.8° |
| N06 | C07 | C08 | 120.7° | 120.8° |
| C13 | C14 | C09 | 120.9° | 119.8° |
| C14 | C13 | C12 | 119.7° | 120.2° |
| C14 | C13 | H131 | 120.2° | 119.9° |
| C13 | C14 | H141 | 119.6° | 120.1° |
| C14 | C09 | C08 | 134.3° | 133.7° |
| C14 | C09 | C10 | 119.2° | 120.0° |
| C09 | C14 | H141 | 119.6° | 120.1° |
| C13 | C12 | C11 | 119.9° | 120.6° |
| C13 | C12 | H121 | 120.1° | 119.7° |
| C12 | C13 | H131 | 120.1° | 119.9° |
| N19 | C07 | C08 | 120.7° | 118.5° |
| C07 | N19 | C18 | 120.6° | 120.9° |
| C07 | C08 | C09 | 137.4° | 134.6° |
| C07 | C08 | C16 | 116.7° | 118.8° |
| C08 | C09 | C10 | 106.6° | 106.3° |
| C09 | C08 | C16 | 105.9° | 106.6° |
| C09 | C10 | C11 | 120.0° | 119.3° |
| C09 | C10 | N15 | 108.1° | 108.3° |
| C12 | C11 | C10 | 120.3° | 120.0° |
| C12 | C11 | H111 | 119.8° | 120.0° |
| C11 | C12 | H121 | 120.0° | 119.7° |
| N19 | C18 | N17 | 121.0° | 122.7° |
| N19 | C18 | H181 | 119.5° | 118.7° |
| C08 | C16 | N15 | 108.3° | 108.4° |
| C08 | C16 | N17 | 119.5° | 118.5° |
| C11 | C10 | N15 | 131.9° | 132.4° |
| C10 | C11 | H111 | 119.8° | 120.0° |
| C10 | N15 | C16 | 111.1° | 110.4° |
| C10 | N15 | H151 | 124.5° | 124.8° |
| C18 | N17 | C16 | 121.6° | 120.8° |
| N17 | C18 | H181 | 119.5° | 118.6° |
| N15 | C16 | N17 | 132.2° | 133.2° |
| C16 | N15 | H151 | 124.5° | 124.8° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C02 | O01 | C03 | 180.0° | 179.8° |
| O23 | C02 | C03 | C04 | 68.2° | 0.2° |
| O23 | C02 | C03 | H032 | 52.3° | 119.7° |
| O23 | C02 | C03 | H031 | 171.4° | 120.2° |
| O23 | C02 | O01 | H1 | 0.0° | 0.2° |
| O01 | C02 | C03 | C04 | 111.9° | 180.0° |
| O01 | C02 | C03 | H032 | 127.7° | 60.1° |
| O01 | C02 | C03 | H031 | 8.5° | 60.0° |
| C02 | C03 | C04 | O22 | 46.5° | 65.2° |
| C02 | C03 | C04 | H032 | 120.4° | 120.0° |
| C02 | C03 | C04 | H031 | 120.4° | 120.1° |
| C02 | C03 | C04 | C05 | 172.5° | 175.0° |
| C02 | C03 | H032 | H031 | 118.7° | 120.1° |
| C02 | C03 | C04 | H041 | 71.0° | 54.9° |
| C03 | C02 | O01 | H1 | 180.0° | 180.0° |
| C21 | O22 | C04 | C03 | 126.9° | 61.3° |
| O22 | C21 | C20 | H212 | 120.5° | 120.0° |
| O22 | C21 | C20 | H211 | 120.5° | 119.9° |
| C21 | O22 | C04 | C05 | 7.9° | 58.7° |
| O22 | C21 | C20 | N06 | 55.7° | 56.8° |
| C21 | O22 | C04 | H041 | 116.4° | 178.6° |
| O22 | C21 | C20 | H201 | 174.9° | 176.8° |
| O22 | C21 | C20 | H202 | 63.5° | 63.2° |
| O22 | C21 | H212 | H211 | 118.5° | 120.1° |
| O22 | C04 | C03 | C05 | 126.0° | 119.8° |
| O22 | C04 | C03 | H041 | 117.5° | 120.1° |
| C04 | O22 | C21 | C20 | 15.2° | 58.6° |
| O22 | C04 | C05 | H041 | 124.9° | 120.0° |
| O22 | C04 | C05 | N06 | 10.1° | 56.9° |
| O22 | C04 | C03 | H032 | 166.9° | 174.8° |
| O22 | C04 | C03 | H031 | 73.9° | 54.8° |
| O22 | C04 | C05 | H051 | 110.3° | 63.0° |
| O22 | C04 | C05 | H052 | 130.5° | 176.8° |
| C04 | O22 | C21 | H212 | 105.4° | 178.6° |
| C04 | O22 | C21 | H211 | 135.7° | 61.3° |
| C03 | C04 | C05 | H041 | 116.6° | 120.1° |
| C03 | C04 | C05 | N06 | 108.4° | 63.1° |
| C04 | C03 | H032 | H031 | 118.7° | 119.9° |
| C03 | C04 | C05 | H051 | 131.2° | 177.0° |
| C03 | C04 | C05 | H052 | 12.0° | 56.8° |
| C21 | C20 | N06 | H201 | 119.3° | 119.9° |
| C21 | C20 | N06 | H202 | 119.3° | 120.0° |
| C21 | C20 | N06 | C05 | 76.2° | 58.6° |
| C21 | C20 | N06 | C07 | 153.6° | 177.6° |
| C21 | C20 | H201 | H202 | 122.2° | 120.1° |
| C20 | C21 | H212 | H211 | 118.5° | 120.1° |
| C04 | C05 | N06 | C20 | 53.3° | 58.6° |
| C04 | C05 | N06 | H051 | 120.4° | 119.9° |
| C04 | C05 | N06 | H052 | 120.4° | 119.9° |
| C04 | C05 | N06 | C07 | 173.8° | 177.6° |
| C05 | C04 | C03 | H032 | 67.1° | 55.0° |
| C05 | C04 | C03 | H031 | 52.1° | 65.0° |
| C04 | C05 | H051 | H052 | 118.7° | 120.2° |
| C20 | N06 | C05 | C07 | 132.9° | 123.7° |
| C20 | N06 | C07 | N19 | 123.8° | 64.0° |
| C20 | N06 | C07 | C08 | 58.4° | 116.4° |
| C20 | N06 | C05 | H051 | 67.1° | 61.3° |
| C20 | N06 | C05 | H052 | 173.7° | 178.6° |
| N06 | C20 | H201 | H202 | 122.2° | 120.1° |
| N06 | C20 | C21 | H212 | 64.8° | 176.8° |
| N06 | C20 | C21 | H211 | 176.2° | 63.1° |
| C05 | N06 | C07 | N19 | 4.8° | 59.7° |
| C05 | N06 | C07 | C08 | 173.0° | 120.0° |
| N06 | C05 | C04 | H041 | 135.0° | 176.8° |
| N06 | C05 | H051 | H052 | 118.7° | 120.1° |
| C05 | N06 | C20 | H201 | 164.5° | 178.6° |
| C05 | N06 | C20 | H202 | 43.0° | 61.4° |
| N06 | C07 | N19 | C08 | 177.7° | 179.7° |
| N06 | C07 | C08 | C09 | 1.8° | 0.2° |
| N06 | C07 | N19 | C18 | 179.1° | 179.8° |
| N06 | C07 | C08 | C16 | 178.9° | 179.7° |
| C07 | N06 | C05 | H051 | 65.8° | 62.5° |
| C07 | N06 | C05 | H052 | 53.4° | 57.7° |
| C07 | N06 | C20 | H201 | 34.4° | 57.7° |
| C07 | N06 | C20 | H202 | 87.1° | 62.4° |
| C13 | C14 | C09 | H141 | 180.0° | 180.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.9° |
| C13 | C14 | C09 | C08 | 179.7° | 180.0° |
| C13 | C14 | C09 | C10 | 0.6° | 0.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H121 | 179.9° | 180.0° |
| C09 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C09 | C08 | C07 | 1.0° | 0.1° |
| C14 | C09 | C08 | C10 | 179.7° | 179.9° |
| C14 | C09 | C08 | C16 | 179.7° | 180.0° |
| C14 | C09 | C10 | C11 | 0.4° | 0.0° |
| C14 | C09 | C10 | N15 | 179.8° | 180.0° |
| C09 | C14 | C13 | H131 | 179.6° | 179.9° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H111 | 179.9° | 179.9° |
| C12 | C13 | C14 | H141 | 179.5° | 180.0° |
| N19 | C07 | C08 | C09 | 179.5° | 179.9° |
| N19 | C07 | C08 | C16 | 1.3° | 0.0° |
| C07 | N19 | C18 | N17 | 0.8° | 0.1° |
| C07 | N19 | C18 | H181 | 179.2° | 180.0° |
| C07 | C08 | C09 | C16 | 179.3° | 179.9° |
| C07 | C08 | C09 | C10 | 179.3° | 180.0° |
| C08 | C07 | N19 | C18 | 1.4° | 0.1° |
| C07 | C08 | C16 | N15 | 179.4° | 180.0° |
| C07 | C08 | C16 | N17 | 0.6° | 0.1° |
| C08 | C09 | C10 | C11 | 179.8° | 180.0° |
| C08 | C09 | C10 | N15 | 0.0° | 0.0° |
| C09 | C08 | C16 | N15 | 0.0° | 0.0° |
| C09 | C08 | C16 | N17 | 180.0° | 180.0° |
| C08 | C09 | C14 | H141 | 0.3° | 0.1° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C08 | C16 | 0.0° | 0.0° |
| C09 | C10 | C11 | N15 | 179.8° | 180.0° |
| C09 | C10 | N15 | C16 | 0.0° | 0.0° |
| C09 | C10 | C11 | H111 | 180.0° | 179.9° |
| C10 | C09 | C14 | H141 | 179.4° | 180.0° |
| C09 | C10 | N15 | H151 | 180.0° | 180.0° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | N15 | 179.8° | 180.0° |
| C11 | C12 | C13 | H131 | 179.9° | 179.9° |
| N19 | C18 | N17 | H181 | 180.0° | 179.9° |
| N19 | C18 | N17 | C16 | 0.1° | 0.0° |
| C08 | C16 | N15 | C10 | 0.0° | 0.0° |
| C08 | C16 | N17 | C18 | 0.0° | 0.1° |
| C08 | C16 | N15 | N17 | 180.0° | 179.9° |
| C08 | C16 | N15 | H151 | 180.0° | 179.9° |
| C11 | C10 | N15 | C16 | 179.8° | 180.0° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C11 | C10 | N15 | H151 | 0.1° | 0.0° |
| C10 | N15 | C16 | H151 | 180.0° | 180.0° |
| C10 | N15 | C16 | N17 | 180.0° | 179.9° |
| N15 | C10 | C11 | H111 | 0.2° | 0.1° |
| C18 | N17 | C16 | N15 | 180.0° | 180.0° |
| C16 | N17 | C18 | H181 | 179.9° | 179.9° |
| N17 | C16 | N15 | H151 | 0.0° | 0.0° |
| H032 | C03 | C04 | H041 | 49.5° | 65.1° |
| H031 | C03 | C04 | H041 | 168.6° | 175.0° |
| H041 | C04 | C05 | H051 | 14.6° | 57.0° |
| H041 | C04 | C05 | H052 | 104.6° | 63.3° |
| H111 | C11 | C12 | H121 | 0.1° | 0.1° |
| H121 | C12 | C13 | H131 | 0.0° | 0.0° |
| H131 | C13 | C14 | H141 | 0.4° | 0.1° |
| H201 | C20 | C21 | H212 | 54.4° | 63.3° |
| H201 | C20 | C21 | H211 | 64.5° | 56.8° |
| H202 | C20 | C21 | H212 | 175.9° | 56.8° |
| H202 | C20 | C21 | H211 | 57.0° | 176.9° |
