Obsolete: G2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C02 | sing | 1.43Å | 1.46Å | |
| CL1 | C01 | sing | 1.80Å | 1.85Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C01 | C06 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C10 | C06 | sing | 1.53Å | 1.49Å | |
| C10 | O11 | sing | 1.43Å | 1.42Å | |
| C06 | O05 | sing | 1.43Å | 1.49Å | |
| C03 | O09 | sing | 1.43Å | 1.44Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| O05 | C04 | sing | 1.43Å | 1.50Å | |
| C04 | O12 | sing | 1.43Å | 1.35Å | |
| O19 | C15 | sing | 1.43Å | 1.37Å | |
| O12 | C13 | sing | 1.43Å | 1.46Å | |
| C15 | C14 | sing | 1.55Å | 1.54Å | |
| C15 | C13 | sing | 1.54Å | 1.57Å | |
| C14 | C17 | sing | 1.55Å | 1.38Å | |
| C14 | O20 | sing | 1.43Å | 1.49Å | |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | CL3 | sing | 1.80Å | 1.77Å | |
| C13 | O16 | sing | 1.44Å | 1.30Å | |
| C17 | O16 | sing | 1.44Å | 1.61Å | |
| C17 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | CL2 | sing | 1.80Å | 1.81Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | 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 | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O19 | H191 | sing | 0.97Å | 0.95Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C02 | C01 | 111.4° | 109.5° |
| O08 | C02 | C03 | 110.9° | 109.5° |
| O08 | C02 | H021 | 108.6° | 109.6° |
| C02 | O08 | H081 | 109.5° | 114.0° |
| CL1 | C01 | C02 | 110.6° | 109.5° |
| CL1 | C01 | C06 | 108.5° | 109.5° |
| CL1 | C01 | H011 | 106.1° | 109.6° |
| C02 | C01 | C06 | 112.1° | 109.2° |
| C01 | C02 | C03 | 110.0° | 109.0° |
| C02 | C01 | H011 | 109.9° | 109.5° |
| C01 | C02 | H021 | 107.9° | 109.6° |
| C01 | C06 | C10 | 111.6° | 109.5° |
| C01 | C06 | O05 | 112.3° | 109.4° |
| C06 | C01 | H011 | 109.4° | 109.5° |
| C01 | C06 | H061 | 107.7° | 109.5° |
| C02 | C03 | O09 | 114.0° | 109.5° |
| C02 | C03 | C04 | 106.0° | 109.2° |
| C03 | C02 | H021 | 108.0° | 109.5° |
| C02 | C03 | H031 | 107.9° | 109.5° |
| C06 | C10 | O11 | 105.4° | 109.5° |
| C10 | C06 | O05 | 108.4° | 109.5° |
| C10 | C06 | H061 | 108.4° | 109.5° |
| C06 | C10 | H102 | 110.5° | 109.5° |
| C06 | C10 | H101 | 110.5° | 109.5° |
| O11 | C10 | H102 | 110.5° | 109.4° |
| O11 | C10 | H101 | 110.5° | 109.5° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| C06 | O05 | C04 | 106.0° | 114.1° |
| O05 | C06 | H061 | 108.4° | 109.5° |
| O09 | C03 | C04 | 112.3° | 109.6° |
| O09 | C03 | H031 | 108.7° | 109.5° |
| C03 | O09 | H091 | 109.5° | 114.0° |
| C03 | C04 | O05 | 101.4° | 109.4° |
| C03 | C04 | O12 | 110.1° | 109.4° |
| C04 | C03 | H031 | 107.6° | 109.6° |
| C03 | C04 | H041 | 109.4° | 109.5° |
| O05 | C04 | O12 | 113.7° | 109.5° |
| O05 | C04 | H041 | 109.7° | 109.5° |
| C04 | O12 | C13 | 127.3° | 114.0° |
| O12 | C04 | H041 | 112.1° | 109.5° |
| O19 | C15 | C14 | 116.8° | 110.5° |
| O19 | C15 | C13 | 116.0° | 110.5° |
| O19 | C15 | H151 | 108.2° | 110.5° |
| C15 | O19 | H191 | 109.5° | 114.1° |
| O12 | C13 | C15 | 114.4° | 109.9° |
| O12 | C13 | C18 | 77.0° | 110.0° |
| O12 | C13 | O16 | 87.0° | 109.9° |
| C14 | C15 | C13 | 103.0° | 104.2° |
| C15 | C14 | C17 | 108.3° | 102.1° |
| C15 | C14 | O20 | 105.2° | 110.9° |
| C15 | C14 | H141 | 108.6° | 110.9° |
| C14 | C15 | H151 | 106.1° | 110.5° |
| C15 | C13 | C18 | 119.1° | 109.8° |
| C15 | C13 | O16 | 111.6° | 107.3° |
| C13 | C15 | H151 | 105.8° | 110.5° |
| C17 | C14 | O20 | 114.6° | 110.9° |
| C14 | C17 | O16 | 108.0° | 103.5° |
| C14 | C17 | C21 | 117.0° | 110.6° |
| C17 | C14 | H141 | 110.8° | 110.9° |
| C14 | C17 | H171 | 108.7° | 110.6° |
| O20 | C14 | H141 | 109.1° | 110.8° |
| C14 | O20 | H201 | 109.5° | 114.0° |
| C13 | C18 | CL3 | 95.8° | 109.5° |
| C18 | C13 | O16 | 129.1° | 109.8° |
| C13 | C18 | H182 | 112.8° | 109.5° |
| C13 | C18 | H181 | 112.7° | 109.5° |
| CL3 | C18 | H182 | 112.8° | 109.4° |
| CL3 | C18 | H181 | 112.8° | 109.4° |
| C13 | O16 | C17 | 106.1° | 106.9° |
| O16 | C17 | C21 | 109.7° | 110.6° |
| O16 | C17 | H171 | 105.9° | 110.7° |
| C17 | C21 | CL2 | 114.4° | 109.4° |
| C21 | C17 | H171 | 107.0° | 110.7° |
| C17 | C21 | H211 | 108.2° | 109.5° |
| C17 | C21 | H212 | 108.2° | 109.5° |
| CL2 | C21 | H211 | 108.2° | 109.4° |
| CL2 | C21 | H212 | 108.2° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C02 | C01 | CL1 | 48.7° | 56.9° |
| O08 | C02 | C01 | C03 | 123.3° | 119.9° |
| O08 | C02 | C01 | H021 | 119.1° | 120.3° |
| O08 | C02 | C01 | C06 | 170.0° | 176.9° |
| O08 | C02 | C03 | H021 | 118.8° | 120.2° |
| O08 | C02 | C03 | O09 | 49.0° | 63.2° |
| O08 | C02 | C03 | C04 | 173.0° | 176.9° |
| O08 | C02 | C01 | H011 | 68.1° | 63.3° |
| O08 | C02 | C03 | H031 | 71.9° | 56.9° |
| CL1 | C01 | C02 | C06 | 121.3° | 119.9° |
| CL1 | C01 | C02 | H011 | 116.8° | 120.2° |
| CL1 | C01 | C06 | H011 | 115.4° | 120.2° |
| CL1 | C01 | C02 | C03 | 74.6° | 62.9° |
| CL1 | C01 | C06 | C10 | 45.1° | 57.7° |
| CL1 | C01 | C06 | O05 | 76.9° | 62.3° |
| CL1 | C01 | C02 | H021 | 167.8° | 177.2° |
| CL1 | C01 | C06 | H061 | 163.9° | 177.7° |
| C02 | C01 | C06 | H011 | 122.2° | 119.8° |
| C01 | C02 | C03 | H021 | 117.5° | 119.9° |
| C02 | C01 | C06 | C10 | 167.5° | 177.6° |
| C02 | C01 | C06 | O05 | 45.6° | 57.6° |
| C01 | C02 | C03 | O09 | 172.6° | 176.9° |
| C01 | C02 | C03 | C04 | 63.4° | 57.0° |
| C01 | C02 | C03 | H031 | 51.7° | 63.0° |
| C02 | C01 | C06 | H061 | 73.7° | 62.3° |
| C01 | C02 | O08 | H081 | 180.0° | 60.0° |
| C06 | C01 | C02 | C03 | 46.6° | 57.0° |
| C01 | C06 | C10 | O05 | 124.2° | 119.9° |
| C01 | C06 | C10 | H061 | 118.4° | 120.0° |
| C01 | C06 | C10 | O11 | 166.5° | 177.5° |
| C01 | C06 | O05 | H061 | 118.8° | 120.0° |
| C01 | C06 | O05 | C04 | 59.9° | 61.2° |
| C06 | C01 | C02 | H021 | 71.0° | 62.9° |
| C01 | C06 | C10 | H102 | 47.1° | 57.5° |
| C01 | C06 | C10 | H101 | 74.2° | 62.5° |
| C02 | C03 | O09 | C04 | 120.6° | 119.7° |
| C02 | C03 | O09 | H031 | 120.4° | 120.0° |
| C02 | C03 | C04 | H031 | 115.3° | 119.9° |
| C02 | C03 | C04 | O05 | 76.8° | 57.6° |
| C02 | C03 | C04 | O12 | 162.5° | 177.6° |
| C03 | C02 | C01 | H011 | 168.6° | 176.8° |
| C02 | C03 | C04 | H041 | 38.9° | 62.4° |
| C03 | C02 | O08 | H081 | 57.2° | 179.5° |
| C02 | C03 | O09 | H091 | 180.0° | 60.0° |
| C06 | C10 | O11 | H102 | 119.4° | 120.0° |
| C06 | C10 | O11 | H101 | 119.3° | 120.0° |
| C10 | C06 | O05 | H061 | 117.4° | 120.1° |
| C10 | C06 | O05 | C04 | 176.3° | 178.8° |
| C10 | C06 | C01 | H011 | 70.3° | 62.6° |
| C06 | C10 | H102 | H101 | 121.9° | 120.0° |
| C06 | C10 | O11 | H111 | 180.0° | 180.0° |
| O11 | C10 | C06 | O05 | 69.3° | 62.6° |
| O11 | C10 | C06 | H061 | 48.1° | 57.4° |
| O11 | C10 | H102 | H101 | 121.9° | 120.0° |
| C06 | O05 | C04 | C03 | 74.2° | 61.2° |
| C06 | O05 | C04 | O12 | 167.7° | 178.9° |
| O05 | C06 | C01 | H011 | 167.7° | 177.5° |
| C06 | O05 | C04 | H041 | 41.3° | 58.8° |
| O05 | C06 | C10 | H102 | 171.3° | 177.4° |
| O05 | C06 | C10 | H101 | 50.0° | 57.4° |
| O09 | C03 | C04 | H031 | 119.6° | 120.2° |
| O09 | C03 | C04 | O05 | 158.1° | 177.5° |
| O09 | C03 | C04 | O12 | 37.4° | 62.5° |
| O09 | C03 | C02 | H021 | 69.9° | 57.0° |
| O09 | C03 | C04 | H041 | 86.2° | 57.5° |
| C03 | C04 | O05 | O12 | 118.1° | 119.9° |
| C03 | C04 | O05 | H041 | 115.5° | 120.0° |
| C03 | C04 | O12 | H041 | 122.0° | 120.0° |
| C03 | C04 | O12 | C13 | 155.0° | 144.7° |
| C04 | C03 | C02 | H021 | 54.1° | 62.9° |
| C04 | C03 | O09 | H091 | 59.5° | 179.6° |
| O05 | C04 | O12 | H041 | 125.1° | 120.0° |
| O05 | C04 | O12 | C13 | 92.0° | 95.4° |
| O05 | C04 | C03 | H031 | 38.4° | 62.3° |
| C04 | O05 | C06 | H061 | 58.9° | 58.8° |
| C04 | O12 | C13 | C15 | 17.2° | 171.7° |
| C04 | O12 | C13 | C18 | 133.5° | 67.3° |
| C04 | O12 | C13 | O16 | 95.2° | 53.8° |
| O12 | C04 | C03 | H031 | 82.2° | 57.7° |
| O19 | C15 | C13 | O12 | 44.5° | 1.3° |
| O19 | C15 | C14 | C13 | 128.4° | 118.7° |
| O19 | C15 | C14 | H151 | 120.7° | 122.6° |
| O19 | C15 | C13 | H151 | 119.9° | 122.7° |
| O19 | C15 | C14 | C17 | 128.9° | 97.8° |
| O19 | C15 | C14 | O20 | 108.2° | 144.0° |
| O19 | C15 | C13 | C18 | 43.8° | 119.9° |
| O19 | C15 | C13 | O16 | 141.2° | 120.7° |
| O19 | C15 | C14 | H141 | 8.5° | 20.4° |
| O12 | C13 | C15 | C14 | 84.4° | 117.4° |
| O12 | C13 | C15 | C18 | 88.3° | 121.2° |
| O12 | C13 | C15 | O16 | 96.8° | 119.5° |
| O12 | C13 | C18 | O16 | 75.2° | 121.1° |
| O12 | C13 | C18 | CL3 | 156.1° | 69.5° |
| O12 | C13 | O16 | C17 | 97.7° | 92.9° |
| C13 | O12 | C04 | H041 | 33.0° | 24.6° |
| O12 | C13 | C15 | H151 | 164.4° | 123.9° |
| O12 | C13 | C18 | H182 | 38.4° | 50.5° |
| O12 | C13 | C18 | H181 | 86.2° | 170.5° |
| C14 | C15 | C13 | H151 | 111.2° | 118.7° |
| C15 | C14 | C17 | O20 | 117.1° | 118.2° |
| C15 | C14 | C17 | H141 | 119.0° | 118.3° |
| C15 | C14 | O20 | H141 | 116.3° | 123.6° |
| C14 | C15 | C13 | C18 | 172.7° | 121.5° |
| C14 | C15 | C13 | O16 | 12.4° | 2.1° |
| C15 | C14 | C17 | O16 | 9.0° | 37.0° |
| C15 | C14 | C17 | C21 | 133.2° | 155.5° |
| C15 | C14 | C17 | H171 | 105.5° | 81.5° |
| C14 | C15 | O19 | H191 | 180.0° | 61.4° |
| C15 | C14 | O20 | H201 | 180.0° | 174.2° |
| C13 | C15 | C14 | C17 | 0.5° | 20.8° |
| C13 | C15 | C14 | O20 | 123.5° | 97.4° |
| C15 | C13 | C18 | O16 | 173.9° | 117.8° |
| C15 | C13 | C18 | CL3 | 93.0° | 169.4° |
| C15 | C13 | O16 | C17 | 17.4° | 26.6° |
| C13 | C15 | C14 | H141 | 119.8° | 139.1° |
| C15 | C13 | C18 | H182 | 149.3° | 70.6° |
| C15 | C13 | C18 | H181 | 24.7° | 49.4° |
| C13 | C15 | O19 | H191 | 58.2° | 176.2° |
| C17 | C14 | O20 | H141 | 124.8° | 123.7° |
| C14 | C17 | O16 | C13 | 17.1° | 40.1° |
| C14 | C17 | O16 | C21 | 128.6° | 118.5° |
| C14 | C17 | O16 | H171 | 116.3° | 118.5° |
| C14 | C17 | C21 | H171 | 122.1° | 122.9° |
| C14 | C17 | C21 | CL2 | 166.9° | 175.0° |
| C17 | C14 | C15 | H151 | 110.5° | 139.6° |
| C14 | C17 | C21 | H211 | 46.2° | 65.1° |
| C14 | C17 | C21 | H212 | 72.4° | 55.0° |
| C17 | C14 | O20 | H201 | 61.1° | 61.5° |
| O20 | C14 | C17 | O16 | 108.2° | 81.1° |
| O20 | C14 | C17 | C21 | 16.1° | 37.4° |
| O20 | C14 | C15 | H151 | 12.5° | 21.4° |
| O20 | C14 | C17 | H171 | 137.4° | 160.3° |
| C13 | C18 | CL3 | H182 | 117.7° | 120.0° |
| C13 | C18 | CL3 | H181 | 117.7° | 120.1° |
| C18 | C13 | O16 | C17 | 168.3° | 145.9° |
| C18 | C13 | C15 | H151 | 76.1° | 2.8° |
| C13 | C18 | H182 | H181 | 126.4° | 120.1° |
| CL3 | C18 | C13 | O16 | 81.0° | 51.6° |
| CL3 | C18 | H182 | H181 | 126.4° | 119.9° |
| C13 | O16 | C17 | C21 | 145.7° | 158.6° |
| O16 | C13 | C15 | H151 | 98.8° | 116.6° |
| C13 | O16 | C17 | H171 | 99.1° | 78.4° |
| O16 | C13 | C18 | H182 | 36.7° | 171.6° |
| O16 | C13 | C18 | H181 | 161.4° | 68.4° |
| O16 | C17 | C21 | H171 | 114.4° | 123.0° |
| O16 | C17 | C21 | CL2 | 43.5° | 71.0° |
| O16 | C17 | C14 | H141 | 127.9° | 155.3° |
| O16 | C17 | C21 | H211 | 77.3° | 49.0° |
| O16 | C17 | C21 | H212 | 164.2° | 169.1° |
| C17 | C21 | CL2 | H211 | 120.7° | 120.0° |
| C17 | C21 | CL2 | H212 | 120.7° | 120.0° |
| C21 | C17 | C14 | H141 | 107.8° | 86.2° |
| C17 | C21 | H211 | H212 | 117.7° | 120.1° |
| CL2 | C21 | C17 | H171 | 71.0° | 52.1° |
| CL2 | C21 | H211 | H212 | 117.8° | 120.0° |
| H011 | C01 | C02 | H021 | 51.0° | 57.0° |
| H011 | C01 | C06 | H061 | 48.5° | 57.5° |
| H021 | C02 | C03 | H031 | 169.2° | 177.1° |
| H021 | C02 | O08 | H081 | 61.3° | 60.3° |
| H031 | C03 | C04 | H041 | 154.2° | 177.7° |
| H031 | C03 | O09 | H091 | 59.5° | 60.1° |
| H061 | C06 | C10 | H102 | 71.3° | 62.6° |
| H061 | C06 | C10 | H101 | 167.4° | 177.4° |
| H102 | C10 | O11 | H111 | 60.6° | 60.1° |
| H101 | C10 | O11 | H111 | 60.7° | 59.9° |
| H141 | C14 | C15 | H151 | 129.2° | 102.2° |
| H141 | C14 | C17 | H171 | 13.5° | 36.7° |
| H141 | C14 | O20 | H201 | 63.7° | 62.2° |
| H151 | C15 | O19 | H191 | 60.4° | 61.1° |
| H171 | C17 | C21 | H211 | 168.3° | 172.1° |
| H171 | C17 | C21 | H212 | 49.7° | 67.9° |
