QG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| O15 | C05 | doub | 1.21Å | 1.19Å | |
| O20 | C02 | doub | 1.21Å | 1.26Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C07 | O06 | sing | 1.45Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C05 | O06 | sing | 1.34Å | 1.40Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C16 | C04 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 112.7° | 109.5° |
| C14 | C13 | H131 | 108.6° | 109.5° |
| C14 | C13 | H132 | 108.6° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C12 | C10 | 112.9° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.4° |
| C12 | C13 | H132 | 108.7° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.4° |
| C13 | C12 | H122 | 108.6° | 109.5° |
| O15 | C05 | O06 | 119.6° | 120.0° |
| O15 | C05 | C04 | 120.7° | 120.0° |
| O20 | C02 | O01 | 120.6° | 120.0° |
| O20 | C02 | C03 | 120.4° | 120.0° |
| C12 | C10 | C09 | 110.7° | 109.5° |
| C12 | C10 | C11 | 110.9° | 109.5° |
| C12 | C10 | H101 | 107.9° | 109.5° |
| C10 | C12 | H121 | 108.6° | 109.5° |
| C10 | C12 | H122 | 108.6° | 109.5° |
| C09 | C10 | C11 | 111.2° | 109.5° |
| C10 | C09 | C08 | 111.6° | 109.5° |
| C09 | C10 | H101 | 108.0° | 109.5° |
| C10 | C09 | H092 | 108.9° | 109.5° |
| C10 | C09 | H091 | 108.9° | 109.4° |
| C11 | C10 | H101 | 108.0° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| O06 | C07 | C08 | 109.6° | 109.4° |
| C07 | O06 | C05 | 113.5° | 116.9° |
| O06 | C07 | H071 | 109.4° | 109.5° |
| O06 | C07 | H072 | 109.4° | 109.5° |
| C07 | C08 | C09 | 113.8° | 109.5° |
| C08 | C07 | H071 | 109.4° | 109.4° |
| C08 | C07 | H072 | 109.4° | 109.5° |
| C07 | C08 | H082 | 108.4° | 109.5° |
| C07 | C08 | H081 | 108.4° | 109.5° |
| O06 | C05 | C04 | 119.7° | 120.0° |
| C05 | C04 | C16 | 107.5° | 109.4° |
| C05 | C04 | C03 | 111.0° | 109.5° |
| C05 | C04 | H041 | 107.8° | 109.5° |
| O01 | C02 | C03 | 119.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C02 | C03 | C04 | 111.3° | 109.5° |
| C02 | C03 | C19 | 108.9° | 109.4° |
| C02 | C03 | H031 | 108.1° | 109.5° |
| C09 | C08 | H082 | 108.4° | 109.5° |
| C09 | C08 | H081 | 108.4° | 109.4° |
| C08 | C09 | H092 | 108.9° | 109.5° |
| C08 | C09 | H091 | 108.9° | 109.5° |
| C04 | C16 | C17 | 115.7° | 109.4° |
| C16 | C04 | C03 | 114.7° | 109.5° |
| C04 | C16 | H161 | 107.9° | 109.5° |
| C04 | C16 | H162 | 107.9° | 109.5° |
| C16 | C04 | H041 | 107.8° | 109.5° |
| C16 | C17 | C18 | 112.8° | 109.5° |
| C17 | C16 | H161 | 107.9° | 109.4° |
| C17 | C16 | H162 | 107.9° | 109.4° |
| C16 | C17 | H172 | 108.6° | 109.5° |
| C16 | C17 | H171 | 108.6° | 109.5° |
| C04 | C03 | C19 | 112.3° | 109.5° |
| C04 | C03 | H031 | 108.0° | 109.5° |
| C03 | C04 | H041 | 107.8° | 109.5° |
| C03 | C19 | C18 | 111.6° | 109.5° |
| C03 | C19 | H192 | 109.0° | 109.5° |
| C03 | C19 | H191 | 108.9° | 109.5° |
| C19 | C03 | H031 | 108.0° | 109.5° |
| C19 | C18 | C17 | 110.5° | 109.5° |
| C19 | C18 | H182 | 109.2° | 109.5° |
| C19 | C18 | H181 | 109.2° | 109.5° |
| C18 | C19 | H192 | 108.9° | 109.5° |
| C18 | C19 | H191 | 108.9° | 109.5° |
| C18 | C17 | H172 | 108.6° | 109.5° |
| C18 | C17 | H171 | 108.6° | 109.5° |
| C17 | C18 | H182 | 109.2° | 109.5° |
| C17 | C18 | H181 | 109.2° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H131 | 120.5° | 120.0° |
| C14 | C13 | C12 | H132 | 120.5° | 120.0° |
| C14 | C13 | C12 | C10 | 176.6° | 180.0° |
| C14 | C13 | H131 | H132 | 118.5° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H143 | H142 | 120.0° | 120.0° |
| C14 | C13 | C12 | H121 | 56.0° | 60.0° |
| C14 | C13 | C12 | H122 | 62.9° | 60.0° |
| C13 | C12 | C10 | H121 | 120.5° | 120.0° |
| C13 | C12 | C10 | H122 | 120.5° | 120.0° |
| C13 | C12 | C10 | C09 | 141.7° | 175.0° |
| C13 | C12 | C10 | C11 | 94.3° | 65.0° |
| C12 | C13 | H131 | H132 | 118.6° | 120.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C14 | H143 | 60.0° | 60.0° |
| C12 | C13 | C14 | H142 | 60.0° | 60.0° |
| C13 | C12 | C10 | H101 | 23.8° | 55.0° |
| C13 | C12 | H121 | H122 | 118.4° | 120.0° |
| O15 | C05 | O06 | C07 | 63.5° | 0.0° |
| O15 | C05 | O06 | C04 | 178.5° | 179.9° |
| O15 | C05 | C04 | C16 | 52.1° | 120.0° |
| O15 | C05 | C04 | C03 | 74.1° | 0.1° |
| O15 | C05 | C04 | H041 | 168.1° | 120.0° |
| O20 | C02 | O01 | C03 | 179.4° | 180.0° |
| O20 | C02 | C03 | C04 | 77.7° | 0.0° |
| O20 | C02 | C03 | C19 | 46.7° | 120.0° |
| O20 | C02 | C03 | H031 | 163.8° | 120.1° |
| O20 | C02 | O01 | H1 | 0.0° | 0.0° |
| C12 | C10 | C09 | C11 | 123.8° | 120.0° |
| C12 | C10 | C09 | H101 | 117.9° | 120.0° |
| C12 | C10 | C11 | H101 | 118.1° | 120.0° |
| C12 | C10 | C09 | C08 | 167.0° | 175.0° |
| C10 | C12 | C13 | H131 | 63.0° | 60.0° |
| C10 | C12 | C13 | H132 | 56.1° | 60.0° |
| C12 | C10 | C11 | H113 | 180.0° | 60.0° |
| C12 | C10 | C11 | H112 | 60.0° | 179.9° |
| C12 | C10 | C11 | H111 | 60.0° | 60.0° |
| C10 | C12 | H121 | H122 | 118.4° | 120.0° |
| C12 | C10 | C09 | H092 | 72.6° | 65.0° |
| C12 | C10 | C09 | H091 | 46.7° | 55.0° |
| C09 | C10 | C11 | H101 | 118.2° | 120.0° |
| C10 | C09 | C08 | C07 | 142.8° | 180.0° |
| C10 | C09 | C08 | H092 | 120.3° | 120.1° |
| C10 | C09 | C08 | H091 | 120.3° | 120.0° |
| C09 | C10 | C11 | H113 | 56.4° | 60.0° |
| C09 | C10 | C11 | H112 | 176.3° | 60.0° |
| C09 | C10 | C11 | H111 | 63.7° | 180.0° |
| C09 | C10 | C12 | H121 | 97.7° | 65.0° |
| C09 | C10 | C12 | H122 | 21.2° | 55.0° |
| C10 | C09 | C08 | H082 | 96.6° | 60.0° |
| C10 | C09 | C08 | H081 | 22.1° | 59.9° |
| C10 | C09 | H092 | H091 | 119.0° | 120.0° |
| C11 | C10 | C09 | C08 | 69.2° | 65.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H111 | 120.0° | 120.0° |
| C10 | C11 | H112 | H111 | 120.0° | 120.0° |
| C11 | C10 | C12 | H121 | 26.2° | 55.0° |
| C11 | C10 | C12 | H122 | 145.2° | 175.0° |
| C11 | C10 | C09 | H092 | 51.2° | 55.1° |
| C11 | C10 | C09 | H091 | 170.5° | 175.0° |
| O06 | C07 | C08 | H071 | 120.0° | 119.9° |
| O06 | C07 | C08 | H072 | 120.0° | 120.0° |
| C07 | O06 | C05 | C04 | 115.1° | 180.0° |
| O06 | C07 | C08 | C09 | 45.8° | 180.0° |
| O06 | C07 | H071 | H072 | 119.9° | 120.1° |
| O06 | C07 | C08 | H082 | 74.8° | 60.0° |
| O06 | C07 | C08 | H081 | 166.5° | 60.0° |
| C08 | C07 | O06 | C05 | 178.1° | 180.0° |
| C07 | C08 | C09 | H082 | 120.6° | 120.0° |
| C07 | C08 | C09 | H081 | 120.7° | 120.0° |
| C08 | C07 | H071 | H072 | 119.9° | 120.0° |
| C07 | C08 | H082 | H081 | 118.0° | 120.0° |
| C07 | C08 | C09 | H092 | 96.9° | 60.0° |
| C07 | C08 | C09 | H091 | 22.5° | 60.0° |
| O06 | C05 | C04 | C16 | 126.4° | 60.1° |
| O06 | C05 | C04 | C03 | 107.4° | 180.0° |
| O06 | C05 | C04 | H041 | 10.4° | 59.9° |
| C05 | O06 | C07 | H071 | 58.1° | 60.1° |
| C05 | O06 | C07 | H072 | 61.9° | 60.0° |
| C05 | C04 | C03 | C02 | 16.6° | 60.0° |
| C05 | C04 | C16 | C03 | 123.9° | 119.9° |
| C05 | C04 | C16 | H041 | 116.0° | 120.0° |
| C05 | C04 | C16 | C17 | 172.3° | 180.0° |
| C05 | C04 | C03 | H041 | 117.8° | 120.1° |
| C05 | C04 | C03 | C19 | 139.0° | 179.9° |
| C05 | C04 | C16 | H161 | 51.4° | 60.1° |
| C05 | C04 | C16 | H162 | 66.8° | 60.0° |
| C05 | C04 | C03 | H031 | 101.9° | 60.1° |
| O01 | C02 | C03 | C04 | 102.9° | 180.0° |
| O01 | C02 | C03 | C19 | 132.8° | 60.0° |
| O01 | C02 | C03 | H031 | 15.6° | 59.9° |
| C02 | C03 | C04 | C16 | 105.5° | 60.0° |
| C02 | C03 | C04 | C19 | 122.4° | 120.0° |
| C02 | C03 | C04 | H031 | 118.5° | 120.0° |
| C02 | C03 | C19 | H031 | 117.2° | 120.0° |
| C02 | C03 | C19 | C18 | 162.3° | 60.0° |
| C02 | C03 | C19 | H192 | 77.4° | 60.0° |
| C02 | C03 | C19 | H191 | 42.0° | 180.0° |
| C02 | C03 | C04 | H041 | 134.4° | 180.0° |
| C03 | C02 | O01 | H1 | 179.5° | 180.0° |
| C08 | C09 | C10 | H101 | 49.1° | 55.0° |
| C09 | C08 | C07 | H071 | 165.8° | 60.0° |
| C09 | C08 | C07 | H072 | 74.2° | 60.0° |
| C09 | C08 | H082 | H081 | 118.0° | 119.9° |
| C08 | C09 | H092 | H091 | 119.0° | 120.0° |
| C04 | C16 | C17 | H161 | 120.9° | 120.0° |
| C04 | C16 | C17 | H162 | 120.9° | 120.0° |
| C16 | C04 | C03 | H041 | 120.1° | 120.0° |
| C16 | C04 | C03 | C19 | 16.9° | 60.0° |
| C04 | C16 | C17 | C18 | 20.4° | 60.0° |
| C04 | C16 | H161 | H162 | 117.1° | 120.1° |
| C04 | C16 | C17 | H172 | 140.8° | 180.0° |
| C04 | C16 | C17 | H171 | 100.2° | 60.0° |
| C16 | C04 | C03 | H031 | 136.0° | 180.0° |
| C17 | C16 | C04 | C03 | 48.4° | 60.0° |
| C16 | C17 | C18 | C19 | 34.9° | 60.0° |
| C16 | C17 | C18 | H172 | 120.5° | 120.0° |
| C16 | C17 | C18 | H171 | 120.5° | 120.0° |
| C17 | C16 | H161 | H162 | 117.2° | 120.0° |
| C16 | C17 | H172 | H171 | 118.5° | 120.0° |
| C16 | C17 | C18 | H182 | 85.3° | 60.0° |
| C16 | C17 | C18 | H181 | 155.0° | 180.0° |
| C17 | C16 | C04 | H041 | 71.7° | 60.0° |
| C04 | C03 | C19 | H031 | 119.0° | 120.0° |
| C04 | C03 | C19 | C18 | 38.5° | 60.0° |
| C03 | C04 | C16 | H161 | 72.6° | 180.0° |
| C03 | C04 | C16 | H162 | 169.3° | 59.9° |
| C04 | C03 | C19 | H192 | 158.9° | 180.0° |
| C04 | C03 | C19 | H191 | 81.8° | 60.0° |
| C03 | C19 | C18 | H192 | 120.3° | 120.0° |
| C03 | C19 | C18 | H191 | 120.3° | 120.0° |
| C03 | C19 | C18 | C17 | 67.1° | 60.0° |
| C03 | C19 | C18 | H182 | 53.1° | 60.0° |
| C03 | C19 | C18 | H181 | 172.8° | 180.0° |
| C03 | C19 | H192 | H191 | 119.0° | 120.0° |
| C19 | C03 | C04 | H041 | 103.2° | 60.0° |
| C19 | C18 | C17 | H182 | 120.2° | 120.0° |
| C19 | C18 | C17 | H181 | 120.2° | 120.0° |
| C19 | C18 | C17 | H172 | 85.6° | 180.0° |
| C19 | C18 | C17 | H171 | 155.4° | 60.0° |
| C19 | C18 | H182 | H181 | 119.5° | 120.0° |
| C18 | C19 | H192 | H191 | 119.0° | 120.0° |
| C18 | C19 | C03 | H031 | 80.5° | 180.0° |
| C18 | C17 | C16 | H161 | 100.6° | 180.0° |
| C18 | C17 | C16 | H162 | 141.2° | 60.0° |
| C18 | C17 | H172 | H171 | 118.5° | 120.0° |
| C17 | C18 | H182 | H181 | 119.5° | 120.0° |
| C17 | C18 | C19 | H192 | 172.6° | 180.0° |
| C17 | C18 | C19 | H191 | 53.2° | 60.0° |
| H131 | C13 | C14 | H141 | 59.5° | 60.0° |
| H131 | C13 | C14 | H143 | 60.5° | 60.0° |
| H131 | C13 | C14 | H142 | 179.5° | NaN° |
| H131 | C13 | C12 | H121 | 176.5° | 180.0° |
| H131 | C13 | C12 | H122 | 57.5° | 60.0° |
| H132 | C13 | C14 | H141 | 59.5° | 60.0° |
| H132 | C13 | C14 | H143 | 179.6° | 180.0° |
| H132 | C13 | C14 | H142 | 60.5° | 60.0° |
| H132 | C13 | C12 | H121 | 64.4° | 60.0° |
| H132 | C13 | C12 | H122 | 176.6° | 179.9° |
| H161 | C16 | C17 | H172 | 19.9° | 60.0° |
| H161 | C16 | C17 | H171 | 138.9° | 60.0° |
| H161 | C16 | C04 | H041 | 167.3° | 60.0° |
| H162 | C16 | C17 | H172 | 98.3° | 60.0° |
| H162 | C16 | C17 | H171 | 20.7° | 180.0° |
| H162 | C16 | C04 | H041 | 49.1° | 180.0° |
| H172 | C17 | C18 | H182 | 154.2° | 60.0° |
| H172 | C17 | C18 | H181 | 34.5° | 60.0° |
| H171 | C17 | C18 | H182 | 35.2° | 180.0° |
| H171 | C17 | C18 | H181 | 84.5° | 60.0° |
| H182 | C18 | C19 | H192 | 67.2° | 60.0° |
| H182 | C18 | C19 | H191 | 173.4° | 180.0° |
| H181 | C18 | C19 | H192 | 52.4° | 60.0° |
| H181 | C18 | C19 | H191 | 66.9° | 60.0° |
| H192 | C19 | C03 | H031 | 39.8° | 60.0° |
| H191 | C19 | C03 | H031 | 159.2° | 60.0° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H101 | C10 | C11 | H113 | 61.9° | 180.0° |
| H101 | C10 | C11 | H112 | 58.1° | 60.0° |
| H101 | C10 | C11 | H111 | 178.1° | 60.0° |
| H101 | C10 | C12 | H121 | 144.3° | 175.0° |
| H101 | C10 | C12 | H122 | 96.7° | 65.0° |
| H101 | C10 | C09 | H092 | 169.4° | 175.0° |
| H101 | C10 | C09 | H091 | 71.2° | 65.0° |
| H113 | C11 | H112 | H111 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 15.9° | 60.0° |
| H071 | C07 | C08 | H082 | 45.2° | 60.0° |
| H071 | C07 | C08 | H081 | 73.5° | 180.0° |
| H072 | C07 | C08 | H082 | 165.2° | 180.0° |
| H072 | C07 | C08 | H081 | 46.5° | 60.0° |
| H082 | C08 | C09 | H092 | 23.7° | 60.0° |
| H082 | C08 | C09 | H091 | 143.1° | 180.0° |
| H081 | C08 | C09 | H092 | 142.4° | 180.0° |
| H081 | C08 | C09 | H091 | 98.2° | 60.0° |
