8CB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C10 | doub | 1.31Å | 1.37Å | |
| C10 | C14 | sing | 1.51Å | 1.51Å | |
| C10 | C03 | sing | 1.51Å | 1.52Å | |
| C03 | C05 | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| O02 | C13 | sing | 1.36Å | 1.45Å | |
| C06 | C08 | sing | 1.50Å | 1.53Å | |
| C17 | C13 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.56Å | |
| C18 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C09 | sing | 1.51Å | 1.55Å | |
| C04 | C07 | sing | 1.50Å | 1.49Å | |
| C09 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C07 | doub | 1.29Å | 1.36Å | |
| C08 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | O01 | sing | 1.36Å | 1.44Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C10 | C14 | 118.8° | 120.0° |
| C15 | C10 | C03 | 119.3° | 120.0° |
| C10 | C15 | H151 | 120.0° | 120.0° |
| C10 | C15 | H152 | 120.0° | 120.0° |
| C14 | C10 | C03 | 121.9° | 120.0° |
| C10 | C14 | H142 | 109.5° | 109.4° |
| C10 | C14 | H143 | 109.5° | 109.5° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C03 | C05 | 110.4° | 109.7° |
| C10 | C03 | C04 | 112.2° | 109.6° |
| C10 | C03 | H031 | 109.0° | 109.8° |
| C05 | C03 | C04 | 107.8° | 108.4° |
| C03 | C05 | C06 | 108.9° | 108.5° |
| C05 | C03 | H031 | 109.1° | 109.7° |
| C03 | C05 | H051 | 109.6° | 109.6° |
| C03 | C05 | H052 | 109.6° | 109.6° |
| C03 | C04 | C09 | 112.8° | 109.4° |
| C03 | C04 | C07 | 110.4° | 110.1° |
| C04 | C03 | H031 | 108.3° | 109.6° |
| C03 | C04 | H041 | 106.6° | 109.4° |
| C05 | C06 | C08 | 111.5° | 110.1° |
| C06 | C05 | H051 | 109.6° | 109.6° |
| C06 | C05 | H052 | 109.6° | 109.6° |
| C05 | C06 | H061 | 109.0° | 109.3° |
| C05 | C06 | H062 | 109.0° | 109.3° |
| O02 | C13 | C17 | 116.7° | 120.0° |
| O02 | C13 | C09 | 114.3° | 120.1° |
| C13 | O02 | H021 | 109.5° | 114.0° |
| C06 | C08 | C07 | 120.7° | 124.1° |
| C06 | C08 | C11 | 118.8° | 117.9° |
| C08 | C06 | H061 | 108.9° | 109.4° |
| C08 | C06 | H062 | 109.0° | 109.3° |
| C13 | C17 | C18 | 118.8° | 120.1° |
| C17 | C13 | C09 | 129.0° | 119.9° |
| C13 | C17 | H171 | 120.6° | 120.0° |
| C17 | C18 | C19 | 120.4° | 119.9° |
| C17 | C18 | C16 | 118.5° | 120.1° |
| C18 | C17 | H171 | 120.6° | 120.0° |
| C13 | C09 | C04 | 124.8° | 120.1° |
| C13 | C09 | C12 | 108.3° | 119.9° |
| C19 | C18 | C16 | 121.1° | 119.9° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | C16 | C12 | 116.5° | 120.0° |
| C18 | C16 | H161 | 121.7° | 120.0° |
| C09 | C04 | C07 | 112.3° | 109.3° |
| C04 | C09 | C12 | 126.9° | 120.1° |
| C09 | C04 | H041 | 106.8° | 109.4° |
| C04 | C07 | C08 | 124.5° | 124.1° |
| C07 | C04 | H041 | 107.6° | 109.2° |
| C04 | C07 | H071 | 117.7° | 118.0° |
| C09 | C12 | C16 | 128.8° | 119.9° |
| C09 | C12 | O01 | 114.2° | 120.0° |
| C07 | C08 | C11 | 120.2° | 118.0° |
| C08 | C07 | H071 | 117.8° | 117.9° |
| C08 | C11 | H112 | 109.5° | 109.4° |
| C08 | C11 | H111 | 109.4° | 109.5° |
| C08 | C11 | H113 | 109.5° | 109.5° |
| C16 | C12 | O01 | 117.0° | 120.0° |
| C12 | C16 | H161 | 121.8° | 120.0° |
| C12 | O01 | H011 | 109.5° | 114.0° |
| H051 | C05 | H052 | 109.4° | 109.9° |
| H061 | C06 | H062 | 109.5° | 109.3° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H143 | C14 | H141 | 109.5° | 109.4° |
| H151 | C15 | H152 | 120.0° | 120.0° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C10 | C14 | C03 | 178.7° | 179.9° |
| C15 | C10 | C03 | C05 | 123.3° | 120.0° |
| C15 | C10 | C03 | C04 | 116.5° | 121.1° |
| C15 | C10 | C03 | H031 | 3.4° | 0.6° |
| C15 | C10 | C14 | H142 | 180.0° | 90.1° |
| C15 | C10 | C14 | H143 | 60.0° | 29.9° |
| C15 | C10 | C14 | H141 | 60.0° | 149.9° |
| C10 | C15 | H151 | H152 | 180.0° | 179.9° |
| C14 | C10 | C03 | C05 | 58.0° | 60.0° |
| C14 | C10 | C03 | C04 | 62.3° | 59.0° |
| C14 | C10 | C03 | H031 | 177.8° | 179.5° |
| C10 | C14 | H142 | H143 | 120.0° | 120.0° |
| C10 | C14 | H142 | H141 | 120.0° | 120.1° |
| C10 | C14 | H143 | H141 | 120.0° | 120.1° |
| C14 | C10 | C15 | H151 | 178.8° | 180.0° |
| C14 | C10 | C15 | H152 | 1.2° | 0.1° |
| C10 | C03 | C05 | C04 | 122.9° | 119.7° |
| C10 | C03 | C05 | H031 | 119.8° | 120.6° |
| C10 | C03 | C04 | H031 | 120.4° | 120.6° |
| C10 | C03 | C05 | C06 | 168.3° | 172.9° |
| C10 | C03 | C04 | C09 | 62.6° | 70.7° |
| C10 | C03 | C04 | C07 | 170.9° | 169.1° |
| C10 | C03 | C04 | H041 | 54.3° | 49.1° |
| C10 | C03 | C05 | H051 | 71.8° | 67.5° |
| C10 | C03 | C05 | H052 | 48.3° | 53.2° |
| C03 | C10 | C14 | H142 | 1.3° | 90.0° |
| C03 | C10 | C14 | H143 | 118.7° | 150.0° |
| C03 | C10 | C14 | H141 | 121.3° | 30.0° |
| C03 | C10 | C15 | H151 | 0.0° | 0.1° |
| C03 | C10 | C15 | H152 | 180.0° | 180.0° |
| C05 | C03 | C04 | H031 | 117.9° | 119.7° |
| C03 | C05 | C06 | H051 | 119.9° | 119.7° |
| C03 | C05 | C06 | H052 | 119.9° | 119.6° |
| C03 | C05 | C06 | C08 | 52.5° | 49.4° |
| C05 | C03 | C04 | C09 | 175.7° | 169.6° |
| C05 | C03 | C04 | C07 | 49.2° | 49.4° |
| C05 | C03 | C04 | H041 | 67.4° | 70.6° |
| C03 | C05 | H051 | H052 | 120.3° | 120.5° |
| C03 | C05 | C06 | H061 | 172.8° | 169.7° |
| C03 | C05 | C06 | H062 | 67.8° | 70.8° |
| C04 | C03 | C05 | C06 | 68.9° | 67.4° |
| C03 | C04 | C09 | C13 | 59.5° | 60.3° |
| C03 | C04 | C09 | C07 | 125.5° | 120.7° |
| C03 | C04 | C09 | H041 | 116.8° | 119.8° |
| C03 | C04 | C07 | H041 | 115.9° | 120.1° |
| C03 | C04 | C09 | C12 | 119.4° | 120.0° |
| C03 | C04 | C07 | C08 | 16.2° | 17.1° |
| C04 | C03 | C05 | H051 | 51.1° | 52.2° |
| C04 | C03 | C05 | H052 | 171.2° | 172.9° |
| C03 | C04 | C07 | H071 | 163.9° | 162.9° |
| C05 | C06 | C08 | H061 | 120.3° | 120.2° |
| C05 | C06 | C08 | H062 | 120.3° | 120.2° |
| C05 | C06 | C08 | C07 | 18.3° | 17.1° |
| C05 | C06 | C08 | C11 | 156.5° | 162.8° |
| C06 | C05 | C03 | H031 | 48.5° | 52.2° |
| C06 | C05 | H051 | H052 | 120.3° | 120.5° |
| C05 | C06 | H061 | H062 | 119.1° | 119.6° |
| O02 | C13 | C17 | C09 | 177.6° | 180.0° |
| O02 | C13 | C17 | C18 | 178.7° | 180.0° |
| O02 | C13 | C09 | C04 | 0.3° | 0.0° |
| O02 | C13 | C09 | C12 | 179.4° | 179.7° |
| O02 | C13 | C17 | H171 | 1.3° | 0.0° |
| C06 | C08 | C07 | C04 | 0.4° | 0.4° |
| C06 | C08 | C07 | C11 | 174.7° | 179.9° |
| C08 | C06 | C05 | H051 | 67.4° | 70.2° |
| C08 | C06 | C05 | H052 | 172.4° | 169.1° |
| C08 | C06 | H061 | H062 | 119.1° | 119.7° |
| C06 | C08 | C07 | H071 | 179.6° | 179.6° |
| C06 | C08 | C11 | H112 | 180.0° | 90.0° |
| C06 | C08 | C11 | H111 | 60.0° | 150.0° |
| C06 | C08 | C11 | H113 | 60.0° | 29.9° |
| C13 | C17 | C18 | H171 | 180.0° | 180.0° |
| C13 | C17 | C18 | C19 | 178.1° | 180.0° |
| C13 | C17 | C18 | C16 | 3.0° | 0.3° |
| C17 | C13 | C09 | C04 | 177.4° | 180.0° |
| C17 | C13 | C09 | C12 | 1.7° | 0.3° |
| C17 | C13 | O02 | H021 | 180.0° | 90.0° |
| C18 | C17 | C13 | C09 | 3.7° | 0.0° |
| C17 | C18 | C19 | C16 | 178.8° | 179.6° |
| C17 | C18 | C16 | C12 | 1.0° | 0.4° |
| C17 | C18 | C16 | H161 | 179.0° | 179.7° |
| C17 | C18 | C19 | H191 | 89.4° | 90.1° |
| C17 | C18 | C19 | H192 | 150.6° | 150.0° |
| C17 | C18 | C19 | H193 | 30.6° | 29.9° |
| C13 | C09 | C04 | C12 | 178.9° | 179.7° |
| C13 | C09 | C04 | C07 | 66.0° | 60.4° |
| C13 | C09 | C12 | C16 | 0.7° | 0.3° |
| C13 | C09 | C12 | O01 | 178.7° | 179.7° |
| C09 | C13 | O02 | H021 | 2.0° | 89.9° |
| C13 | C09 | C04 | H041 | 176.3° | 180.0° |
| C09 | C13 | C17 | H171 | 176.3° | 180.0° |
| C19 | C18 | C16 | C12 | 179.9° | 180.0° |
| C19 | C18 | C16 | H161 | 0.1° | 0.1° |
| C19 | C18 | C17 | H171 | 1.9° | 0.1° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C18 | C16 | C12 | C09 | 0.9° | 0.1° |
| C18 | C16 | C12 | H161 | 180.0° | 179.9° |
| C18 | C16 | C12 | O01 | 178.9° | 180.0° |
| C16 | C18 | C17 | H171 | 176.9° | 179.7° |
| C16 | C18 | C19 | H191 | 89.4° | 90.3° |
| C16 | C18 | C19 | H192 | 30.6° | 29.7° |
| C16 | C18 | C19 | H193 | 150.6° | 149.7° |
| C09 | C04 | C07 | H041 | 117.3° | 119.7° |
| C09 | C04 | C07 | C08 | 142.9° | 137.3° |
| C04 | C09 | C12 | C16 | 179.7° | 180.0° |
| C04 | C09 | C12 | O01 | 2.3° | 0.0° |
| C09 | C04 | C03 | H031 | 57.8° | 49.9° |
| C09 | C04 | C07 | H071 | 37.1° | 42.7° |
| C07 | C04 | C09 | C12 | 115.1° | 119.3° |
| C04 | C07 | C08 | H071 | 180.0° | 180.0° |
| C04 | C07 | C08 | C11 | 174.3° | 179.5° |
| C07 | C04 | C03 | H031 | 68.7° | 70.3° |
| C09 | C12 | C16 | O01 | 178.0° | 180.0° |
| C09 | C12 | O01 | H011 | 180.0° | 90.0° |
| C12 | C09 | C04 | H041 | 2.7° | 0.2° |
| C09 | C12 | C16 | H161 | 179.1° | 180.0° |
| C08 | C07 | C04 | H041 | 99.8° | 103.0° |
| C07 | C08 | C06 | H061 | 138.6° | 137.3° |
| C07 | C08 | C06 | H062 | 102.0° | 103.1° |
| C07 | C08 | C11 | H112 | 5.2° | 90.1° |
| C07 | C08 | C11 | H111 | 114.8° | 29.9° |
| C07 | C08 | C11 | H113 | 125.3° | 150.0° |
| C11 | C08 | C06 | H061 | 36.1° | 42.6° |
| C11 | C08 | C06 | H062 | 83.2° | 77.0° |
| C11 | C08 | C07 | H071 | 5.7° | 0.5° |
| C08 | C11 | H112 | H111 | 120.0° | 120.0° |
| C08 | C11 | H112 | H113 | 120.0° | 120.0° |
| C08 | C11 | H111 | H113 | 120.0° | 120.0° |
| C16 | C12 | O01 | H011 | 1.7° | 90.0° |
| O01 | C12 | C16 | H161 | 1.1° | 0.1° |
| H031 | C03 | C04 | H041 | 174.7° | 169.7° |
| H031 | C03 | C05 | H051 | 168.4° | 171.9° |
| H031 | C03 | C05 | H052 | 71.4° | 67.4° |
| H041 | C04 | C07 | H071 | 80.2° | 77.0° |
| H051 | C05 | C06 | H061 | 52.9° | 50.0° |
| H051 | C05 | C06 | H062 | 172.3° | 169.6° |
| H052 | C05 | C06 | H061 | 67.3° | 70.7° |
| H052 | C05 | C06 | H062 | 52.1° | 48.9° |
| H112 | C11 | H111 | H113 | 120.0° | 120.0° |
| H142 | C14 | H143 | H141 | 120.0° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
