UCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C11 | sing | 1.74Å | 1.77Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | doub | 1.33Å | 1.33Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C02 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C05 | O20 | sing | 1.43Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C06 | N15 | sing | 1.39Å | 1.44Å | |
| N15 | N19 | sing | 1.40Å | 1.34Å | Aromatic |
| N15 | C16 | sing | 1.35Å | 1.30Å | Aromatic |
| N19 | C18 | doub | 1.31Å | 1.31Å | Aromatic |
| C16 | N17 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | N17 | sing | 1.33Å | 1.33Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C11 | C10 | 119.6° | 119.8° |
| CL1 | C11 | C12 | 119.5° | 119.9° |
| C10 | C11 | C12 | 121.0° | 120.3° |
| C11 | C10 | C09 | 119.3° | 120.2° |
| C11 | C10 | H101 | 120.4° | 119.9° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C11 | C12 | H121 | 120.2° | 120.0° |
| C10 | C09 | C08 | 120.1° | 119.8° |
| C10 | C09 | H091 | 119.9° | 120.1° |
| C09 | C10 | H101 | 120.4° | 119.9° |
| C12 | C13 | C08 | 119.5° | 119.8° |
| C13 | C12 | H121 | 120.2° | 119.9° |
| C12 | C13 | H131 | 120.2° | 120.1° |
| C09 | C08 | C13 | 120.5° | 119.8° |
| C09 | C08 | C07 | 116.7° | 120.1° |
| C08 | C09 | H091 | 120.0° | 120.1° |
| C13 | C08 | C07 | 122.8° | 120.1° |
| C08 | C13 | H131 | 120.3° | 120.1° |
| C08 | C07 | C06 | 122.3° | 120.0° |
| C08 | C07 | H071 | 118.8° | 120.0° |
| C03 | C02 | C04 | 108.0° | 109.5° |
| C03 | C02 | C05 | 110.1° | 109.5° |
| C03 | C02 | C01 | 110.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.4° |
| C02 | C03 | H033 | 109.4° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C07 | C06 | C05 | 125.0° | 120.0° |
| C07 | C06 | N15 | 116.1° | 120.0° |
| C06 | C07 | H071 | 118.8° | 120.0° |
| C04 | C02 | C05 | 107.4° | 109.5° |
| C04 | C02 | C01 | 107.5° | 109.5° |
| C02 | C04 | H043 | 109.5° | 109.5° |
| C02 | C04 | H041 | 109.5° | 109.5° |
| C02 | C04 | H042 | 109.5° | 109.5° |
| C02 | C05 | C06 | 115.4° | 109.5° |
| C02 | C05 | O20 | 109.1° | 109.5° |
| C05 | C02 | C01 | 113.1° | 109.5° |
| C02 | C05 | H051 | 107.6° | 109.5° |
| C06 | C05 | O20 | 107.7° | 109.5° |
| C05 | C06 | N15 | 118.8° | 120.0° |
| C06 | C05 | H051 | 107.6° | 109.5° |
| O20 | C05 | H051 | 109.4° | 109.5° |
| C05 | O20 | H201 | 109.5° | 114.0° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C06 | N15 | N19 | 122.8° | 126.8° |
| C06 | N15 | C16 | 127.8° | 126.8° |
| N19 | N15 | C16 | 109.4° | 106.3° |
| N15 | N19 | C18 | 108.1° | 106.8° |
| N15 | C16 | N17 | 106.3° | 108.0° |
| N15 | C16 | H161 | 126.9° | 126.0° |
| N19 | C18 | N17 | 106.4° | 109.0° |
| N19 | C18 | H181 | 126.8° | 125.5° |
| C16 | N17 | C18 | 109.7° | 109.8° |
| N17 | C16 | H161 | 126.8° | 126.0° |
| N17 | C18 | H181 | 126.8° | 125.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H043 | C04 | H041 | 109.5° | 109.5° |
| H043 | C04 | H042 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C11 | C10 | C12 | 179.9° | 180.0° |
| CL1 | C11 | C10 | C09 | 179.7° | 179.9° |
| CL1 | C11 | C12 | C13 | 179.7° | 179.8° |
| CL1 | C11 | C10 | H101 | 0.3° | 0.0° |
| CL1 | C11 | C12 | H121 | 0.3° | 0.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.2° |
| C11 | C10 | C09 | C08 | 0.7° | 0.1° |
| C11 | C10 | C09 | H091 | 179.4° | 180.0° |
| C10 | C11 | C12 | H121 | 179.6° | 180.0° |
| C12 | C11 | C10 | C09 | 0.2° | 0.1° |
| C11 | C12 | C13 | H121 | 180.0° | 179.8° |
| C11 | C12 | C13 | C08 | 0.5° | 0.4° |
| C12 | C11 | C10 | H101 | 179.8° | 180.0° |
| C11 | C12 | C13 | H131 | 179.5° | 180.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | C13 | 0.6° | 0.2° |
| C10 | C09 | C08 | C07 | 179.1° | 180.0° |
| C12 | C13 | C08 | C09 | 0.0° | 0.4° |
| C12 | C13 | C08 | H131 | 180.0° | 179.6° |
| C12 | C13 | C08 | C07 | 178.4° | 179.8° |
| C09 | C08 | C13 | C07 | 178.4° | 179.8° |
| C09 | C08 | C07 | C06 | 123.2° | 49.7° |
| C09 | C08 | C07 | H071 | 56.8° | 130.2° |
| C08 | C09 | C10 | H101 | 179.3° | 180.0° |
| C09 | C08 | C13 | H131 | 180.0° | 180.0° |
| C13 | C08 | C07 | C06 | 55.3° | 130.5° |
| C13 | C08 | C07 | H071 | 124.7° | 49.6° |
| C13 | C08 | C09 | H091 | 179.4° | 179.8° |
| C08 | C13 | C12 | H121 | 179.5° | 179.7° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 1.1° | 6.8° |
| C08 | C07 | C06 | N15 | 177.2° | 173.2° |
| C07 | C08 | C09 | H091 | 0.9° | 0.0° |
| C07 | C08 | C13 | H131 | 1.6° | 0.2° |
| C03 | C02 | C04 | C05 | 118.7° | 120.0° |
| C03 | C02 | C04 | C01 | 119.3° | 120.0° |
| C03 | C02 | C05 | C01 | 124.1° | 120.0° |
| C03 | C02 | C05 | C06 | 54.7° | 67.5° |
| C03 | C02 | C05 | O20 | 176.1° | 52.5° |
| C03 | C02 | C01 | H013 | 180.0° | 74.0° |
| C03 | C02 | C01 | H011 | 60.0° | 166.0° |
| C03 | C02 | C01 | H012 | 60.0° | 46.1° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C03 | C02 | C04 | H043 | 180.0° | 180.0° |
| C03 | C02 | C04 | H041 | 60.0° | 60.0° |
| C03 | C02 | C04 | H042 | 60.0° | 60.0° |
| C03 | C02 | C05 | H051 | 65.4° | 172.5° |
| C07 | C06 | C05 | C02 | 112.0° | 114.3° |
| C07 | C06 | C05 | N15 | 178.2° | 180.0° |
| C07 | C06 | C05 | O20 | 125.9° | 125.7° |
| C07 | C06 | N15 | N19 | 42.0° | 161.8° |
| C07 | C06 | N15 | C16 | 138.7° | 18.2° |
| C07 | C06 | C05 | H051 | 8.1° | 5.7° |
| C04 | C02 | C05 | C01 | 118.5° | 120.0° |
| C04 | C02 | C05 | C06 | 172.1° | 172.6° |
| C04 | C02 | C05 | O20 | 66.5° | 67.5° |
| C04 | C02 | C01 | H013 | 62.3° | 166.0° |
| C04 | C02 | C01 | H011 | 177.7° | 46.0° |
| C04 | C02 | C01 | H012 | 57.7° | 73.9° |
| C04 | C02 | C03 | H032 | 180.0° | 51.4° |
| C04 | C02 | C03 | H033 | 60.0° | 68.6° |
| C04 | C02 | C03 | H031 | 60.0° | 171.4° |
| C02 | C04 | H043 | H041 | 120.0° | 120.0° |
| C02 | C04 | H043 | H042 | 120.0° | 120.0° |
| C02 | C04 | H041 | H042 | 120.0° | 120.0° |
| C04 | C02 | C05 | H051 | 52.0° | 52.5° |
| C02 | C05 | C06 | O20 | 122.1° | 120.0° |
| C02 | C05 | C06 | H051 | 120.1° | 120.0° |
| C02 | C05 | O20 | H051 | 117.5° | 120.0° |
| C02 | C05 | C06 | N15 | 66.2° | 65.7° |
| C05 | C02 | C01 | H013 | 56.1° | 46.0° |
| C05 | C02 | C01 | H011 | 63.9° | 74.0° |
| C05 | C02 | C01 | H012 | 176.1° | 166.1° |
| C05 | C02 | C03 | H032 | 63.0° | 171.4° |
| C05 | C02 | C03 | H033 | 57.0° | 51.4° |
| C05 | C02 | C03 | H031 | 177.0° | 68.6° |
| C05 | C02 | C04 | H043 | 61.3° | 60.0° |
| C05 | C02 | C04 | H041 | 178.7° | 60.0° |
| C05 | C02 | C04 | H042 | 58.7° | 180.0° |
| C02 | C05 | O20 | H201 | 180.0° | 180.0° |
| C06 | C05 | O20 | H051 | 116.6° | 120.0° |
| C06 | C05 | C02 | C01 | 69.4° | 52.5° |
| C05 | C06 | N15 | N19 | 136.4° | 18.2° |
| C05 | C06 | N15 | C16 | 42.9° | 161.8° |
| C05 | C06 | C07 | H071 | 178.9° | 173.1° |
| C06 | C05 | O20 | H201 | 54.1° | 60.1° |
| O20 | C05 | C02 | C01 | 52.0° | 172.5° |
| O20 | C05 | C06 | N15 | 55.8° | 54.2° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 62.6° | 68.6° |
| C01 | C02 | C03 | H033 | 177.4° | 171.4° |
| C01 | C02 | C03 | H031 | 57.4° | 51.4° |
| C01 | C02 | C04 | H043 | 60.7° | 60.0° |
| C01 | C02 | C04 | H041 | 59.3° | 180.0° |
| C01 | C02 | C04 | H042 | 179.3° | 60.0° |
| C01 | C02 | C05 | H051 | 170.5° | 67.5° |
| C06 | N15 | N19 | C16 | 179.4° | 180.0° |
| C06 | N15 | N19 | C18 | 179.1° | 179.7° |
| C06 | N15 | C16 | N17 | 179.2° | 180.0° |
| N15 | C06 | C05 | H051 | 173.6° | 174.2° |
| N15 | C06 | C07 | H071 | 2.8° | 6.9° |
| C06 | N15 | C16 | H161 | 0.8° | 0.3° |
| N19 | N15 | C16 | N17 | 0.2° | 0.0° |
| N15 | N19 | C18 | N17 | 0.3° | 0.4° |
| N19 | N15 | C16 | H161 | 179.8° | 179.8° |
| N15 | N19 | C18 | H181 | 179.7° | 179.9° |
| C16 | N15 | N19 | C18 | 0.3° | 0.2° |
| N15 | C16 | N17 | H161 | 180.0° | 179.7° |
| N15 | C16 | N17 | C18 | 0.0° | 0.3° |
| N19 | C18 | N17 | C16 | 0.2° | 0.4° |
| N19 | C18 | N17 | H181 | 180.0° | 179.5° |
| C16 | N17 | C18 | H181 | 179.9° | 180.0° |
| C18 | N17 | C16 | H161 | 180.0° | 180.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H032 | C03 | H033 | H031 | 120.0° | 120.0° |
| H043 | C04 | H041 | H042 | 120.0° | 120.0° |
| H051 | C05 | O20 | H201 | 62.5° | 60.0° |
| H091 | C09 | C10 | H101 | 0.6° | 0.0° |
| H121 | C12 | C13 | H131 | 0.5° | 0.2° |
