HVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C19 | sing | 1.36Å | 1.36Å | |
| C19 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C18 | sing | 1.51Å | 1.53Å | |
| C11 | C09 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C09 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | O01 | sing | 1.36Å | 1.35Å | |
| C14 | C10 | sing | 1.51Å | 1.50Å | |
| C09 | C04 | sing | 1.51Å | 1.49Å | |
| C10 | C15 | doub | 1.31Å | 1.33Å | |
| C10 | C03 | sing | 1.51Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | C07 | sing | 1.50Å | 1.48Å | |
| C03 | C05 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | doub | 1.29Å | 1.35Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C08 | C06 | sing | 1.50Å | 1.52Å | |
| C08 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C19 | C16 | 121.6° | 120.0° |
| O02 | C19 | C17 | 117.9° | 120.0° |
| C19 | O02 | H021 | 109.5° | 114.1° |
| C16 | C19 | C17 | 120.5° | 119.9° |
| C19 | C16 | C11 | 122.0° | 120.1° |
| C19 | C16 | H161 | 119.0° | 120.0° |
| C19 | C17 | C13 | 119.0° | 119.9° |
| C19 | C17 | H171 | 120.5° | 120.0° |
| C16 | C11 | C18 | 116.4° | 119.9° |
| C16 | C11 | C09 | 119.5° | 120.1° |
| C11 | C16 | H161 | 119.0° | 120.0° |
| C17 | C13 | C09 | 122.0° | 119.9° |
| C17 | C13 | O01 | 119.8° | 120.0° |
| C13 | C17 | H171 | 120.5° | 120.0° |
| C18 | C11 | C09 | 124.1° | 119.9° |
| C11 | C18 | H183 | 109.5° | 109.5° |
| C11 | C18 | H181 | 109.5° | 109.5° |
| C11 | C18 | H182 | 109.5° | 109.5° |
| C11 | C09 | C13 | 116.9° | 120.1° |
| C11 | C09 | C04 | 125.5° | 120.0° |
| C09 | C13 | O01 | 118.1° | 120.0° |
| C13 | C09 | C04 | 117.5° | 119.9° |
| C13 | O01 | H011 | 109.5° | 114.0° |
| C14 | C10 | C15 | 116.5° | 120.0° |
| C14 | C10 | C03 | 121.8° | 120.0° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C14 | H142 | 109.4° | 109.5° |
| C10 | C14 | H143 | 109.5° | 109.5° |
| C09 | C04 | C03 | 112.4° | 109.3° |
| C09 | C04 | C07 | 114.1° | 109.4° |
| C09 | C04 | H041 | 105.4° | 109.3° |
| C15 | C10 | C03 | 121.7° | 120.0° |
| C10 | C15 | H152 | 120.0° | 120.0° |
| C10 | C15 | H151 | 120.0° | 120.0° |
| C10 | C03 | C04 | 109.8° | 109.6° |
| C10 | C03 | C05 | 115.3° | 109.6° |
| C10 | C03 | H031 | 107.9° | 109.6° |
| C03 | C04 | C07 | 113.4° | 110.1° |
| C04 | C03 | C05 | 107.5° | 108.4° |
| C04 | C03 | H031 | 108.0° | 109.8° |
| C03 | C04 | H041 | 104.9° | 109.3° |
| C04 | C07 | C08 | 125.9° | 124.1° |
| C07 | C04 | H041 | 105.6° | 109.4° |
| C04 | C07 | H071 | 117.0° | 117.9° |
| C03 | C05 | C06 | 113.6° | 108.4° |
| C05 | C03 | H031 | 108.2° | 109.7° |
| C03 | C05 | H051 | 108.4° | 109.7° |
| C03 | C05 | H052 | 108.4° | 109.7° |
| C07 | C08 | C06 | 118.3° | 124.1° |
| C07 | C08 | C12 | 122.0° | 118.0° |
| C08 | C07 | H071 | 117.1° | 118.0° |
| C05 | C06 | C08 | 114.4° | 110.2° |
| C06 | C05 | H051 | 108.4° | 109.6° |
| C06 | C05 | H052 | 108.5° | 109.6° |
| C05 | C06 | H061 | 108.2° | 109.4° |
| C05 | C06 | H062 | 108.2° | 109.4° |
| C06 | C08 | C12 | 119.7° | 118.0° |
| C08 | C06 | H061 | 108.2° | 109.3° |
| C08 | C06 | H062 | 108.2° | 109.2° |
| C08 | C12 | H121 | 109.5° | 109.5° |
| C08 | C12 | H123 | 109.5° | 109.5° |
| C08 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H152 | C15 | H151 | 120.0° | 120.0° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.8° |
| H061 | C06 | H062 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C19 | C16 | C17 | 178.3° | 180.0° |
| O02 | C19 | C16 | C11 | 179.3° | 180.0° |
| O02 | C19 | C17 | C13 | 179.3° | 179.7° |
| O02 | C19 | C16 | H161 | 0.7° | 0.0° |
| O02 | C19 | C17 | H171 | 0.8° | 0.0° |
| C19 | C16 | C11 | H161 | 180.0° | 180.0° |
| C16 | C19 | C17 | C13 | 2.3° | 0.3° |
| C19 | C16 | C11 | C18 | 179.0° | 180.0° |
| C19 | C16 | C11 | C09 | 0.4° | 0.3° |
| C16 | C19 | C17 | H171 | 177.6° | 180.0° |
| C16 | C19 | O02 | H021 | 180.0° | 90.0° |
| C17 | C19 | C16 | C11 | 1.0° | 0.0° |
| C19 | C17 | C13 | H171 | 180.0° | 179.7° |
| C19 | C17 | C13 | C09 | 3.2° | 0.3° |
| C19 | C17 | C13 | O01 | 179.6° | 179.8° |
| C17 | C19 | C16 | H161 | 179.0° | 180.0° |
| C17 | C19 | O02 | H021 | 1.6° | 90.0° |
| C16 | C11 | C18 | C09 | 179.5° | 179.6° |
| C16 | C11 | C09 | C13 | 1.2° | 0.3° |
| C16 | C11 | C09 | C04 | 178.7° | 179.8° |
| C16 | C11 | C18 | H183 | 90.2° | 96.1° |
| C16 | C11 | C18 | H181 | 149.8° | 23.8° |
| C16 | C11 | C18 | H182 | 29.8° | 143.9° |
| C17 | C13 | C09 | C11 | 2.6° | 0.0° |
| C17 | C13 | C09 | O01 | 177.2° | 180.0° |
| C17 | C13 | C09 | C04 | 179.7° | 179.9° |
| C17 | C13 | O01 | H011 | 180.0° | 90.0° |
| C18 | C11 | C09 | C13 | 178.3° | 180.0° |
| C18 | C11 | C09 | C04 | 0.7° | 0.1° |
| C18 | C11 | C16 | H161 | 1.0° | 0.1° |
| C11 | C18 | H183 | H181 | 120.0° | 120.0° |
| C11 | C18 | H183 | H182 | 120.0° | 120.1° |
| C11 | C18 | H181 | H182 | 120.0° | 120.1° |
| C11 | C09 | C13 | C04 | 177.7° | 179.9° |
| C11 | C09 | C13 | O01 | 179.8° | 179.9° |
| C11 | C09 | C04 | C03 | 114.4° | 118.4° |
| C11 | C09 | C04 | C07 | 114.7° | 120.9° |
| C09 | C11 | C16 | H161 | 179.5° | 179.7° |
| C09 | C11 | C18 | H183 | 90.3° | 84.3° |
| C09 | C11 | C18 | H181 | 29.7° | 155.8° |
| C09 | C11 | C18 | H182 | 149.7° | 35.8° |
| C11 | C09 | C04 | H041 | 0.6° | 1.3° |
| C13 | C09 | C04 | C03 | 68.1° | 61.7° |
| C13 | C09 | C04 | C07 | 62.8° | 59.0° |
| C09 | C13 | C17 | H171 | 176.8° | 180.0° |
| C09 | C13 | O01 | H011 | 2.7° | 90.0° |
| C13 | C09 | C04 | H041 | 178.2° | 178.6° |
| O01 | C13 | C09 | C04 | 2.4° | 0.0° |
| O01 | C13 | C17 | H171 | 0.4° | 0.0° |
| C14 | C10 | C15 | C03 | 178.3° | 180.0° |
| C14 | C10 | C03 | C04 | 104.0° | 58.9° |
| C14 | C10 | C03 | C05 | 134.4° | 60.0° |
| C10 | C14 | H141 | H142 | 120.0° | 120.0° |
| C10 | C14 | H141 | H143 | 120.0° | 120.0° |
| C10 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C10 | C15 | H152 | 178.3° | 180.0° |
| C14 | C10 | C15 | H151 | 1.7° | 0.0° |
| C14 | C10 | C03 | H031 | 13.4° | 179.5° |
| C09 | C04 | C03 | C10 | 55.2° | 70.7° |
| C09 | C04 | C03 | C07 | 131.2° | 120.2° |
| C09 | C04 | C03 | H041 | 114.1° | 119.6° |
| C09 | C04 | C07 | H041 | 115.3° | 119.6° |
| C09 | C04 | C03 | C05 | 178.7° | 169.7° |
| C09 | C04 | C07 | C08 | 155.3° | 137.3° |
| C09 | C04 | C03 | H031 | 62.1° | 49.8° |
| C09 | C04 | C07 | H071 | 24.7° | 42.7° |
| C15 | C10 | C03 | C04 | 74.2° | 121.0° |
| C15 | C10 | C03 | C05 | 47.3° | 120.0° |
| C15 | C10 | C14 | H141 | 180.0° | 90.0° |
| C15 | C10 | C14 | H142 | 60.0° | 150.0° |
| C15 | C10 | C14 | H143 | 60.0° | 30.0° |
| C10 | C15 | H152 | H151 | 179.9° | 180.0° |
| C15 | C10 | C03 | H031 | 168.3° | 0.5° |
| C10 | C03 | C04 | C05 | 126.1° | 119.7° |
| C10 | C03 | C04 | H031 | 117.4° | 120.5° |
| C10 | C03 | C04 | C07 | 173.5° | 169.1° |
| C10 | C03 | C05 | H031 | 120.9° | 120.5° |
| C10 | C03 | C05 | C06 | 179.4° | 172.9° |
| C03 | C10 | C14 | H141 | 1.7° | 90.0° |
| C03 | C10 | C14 | H142 | 121.7° | 30.0° |
| C03 | C10 | C14 | H143 | 118.3° | 150.0° |
| C03 | C10 | C15 | H152 | 0.0° | 0.0° |
| C03 | C10 | C15 | H151 | 180.0° | 180.0° |
| C10 | C03 | C04 | H041 | 58.8° | 48.9° |
| C10 | C03 | C05 | H051 | 60.0° | 67.5° |
| C10 | C03 | C05 | H052 | 58.8° | 53.2° |
| C03 | C04 | C07 | H041 | 114.3° | 120.2° |
| C04 | C03 | C05 | H031 | 116.4° | 119.9° |
| C03 | C04 | C07 | C08 | 24.9° | 17.1° |
| C04 | C03 | C05 | C06 | 57.8° | 67.5° |
| C04 | C03 | C05 | H051 | 62.8° | 52.2° |
| C04 | C03 | C05 | H052 | 178.4° | 172.9° |
| C03 | C04 | C07 | H071 | 155.1° | 162.9° |
| C07 | C04 | C03 | C05 | 47.4° | 49.4° |
| C04 | C07 | C08 | H071 | 180.0° | 180.0° |
| C04 | C07 | C08 | C06 | 8.2° | 0.5° |
| C04 | C07 | C08 | C12 | 173.3° | 179.5° |
| C07 | C04 | C03 | H031 | 69.1° | 70.4° |
| C03 | C05 | C06 | H051 | 120.6° | 119.7° |
| C03 | C05 | C06 | H052 | 120.6° | 119.7° |
| C03 | C05 | C06 | C08 | 43.1° | 49.5° |
| C05 | C03 | C04 | H041 | 67.3° | 70.7° |
| C03 | C05 | H051 | H052 | 118.1° | 120.6° |
| C03 | C05 | C06 | H061 | 163.8° | 169.6° |
| C03 | C05 | C06 | H062 | 77.7° | 70.6° |
| C07 | C08 | C06 | C05 | 16.4° | 17.1° |
| C07 | C08 | C06 | C12 | 178.6° | 180.0° |
| C07 | C08 | C12 | H121 | 180.0° | 0.1° |
| C07 | C08 | C12 | H123 | 60.0° | 120.0° |
| C07 | C08 | C12 | H122 | 60.0° | 120.0° |
| C08 | C07 | C04 | H041 | 89.4° | 103.1° |
| C07 | C08 | C06 | H061 | 137.2° | 137.3° |
| C07 | C08 | C06 | H062 | 104.3° | 103.0° |
| C05 | C06 | C08 | H061 | 120.7° | 120.2° |
| C05 | C06 | C08 | H062 | 120.8° | 120.2° |
| C05 | C06 | C08 | C12 | 165.0° | 162.8° |
| C06 | C05 | C03 | H031 | 58.5° | 52.4° |
| C06 | C05 | H051 | H052 | 118.2° | 120.5° |
| C05 | C06 | H061 | H062 | 117.7° | 119.8° |
| C06 | C08 | C12 | H121 | 1.4° | 180.0° |
| C06 | C08 | C12 | H123 | 118.6° | 60.0° |
| C06 | C08 | C12 | H122 | 121.4° | 60.1° |
| C08 | C06 | C05 | H051 | 77.5° | 70.2° |
| C08 | C06 | C05 | H052 | 163.7° | 169.2° |
| C08 | C06 | H061 | H062 | 117.7° | 119.5° |
| C06 | C08 | C07 | H071 | 171.8° | 179.5° |
| C08 | C12 | H121 | H123 | 120.0° | 120.1° |
| C08 | C12 | H121 | H122 | 120.0° | 120.0° |
| C08 | C12 | H123 | H122 | 120.0° | 120.0° |
| C12 | C08 | C06 | H061 | 44.2° | 42.6° |
| C12 | C08 | C06 | H062 | 74.3° | 77.0° |
| C12 | C08 | C07 | H071 | 6.7° | 0.5° |
| H121 | C12 | H123 | H122 | 120.0° | 119.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H183 | C18 | H181 | H182 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 176.2° | 169.4° |
| H031 | C03 | C05 | H051 | 179.2° | 172.1° |
| H031 | C03 | C05 | H052 | 62.1° | 67.2° |
| H041 | C04 | C07 | H071 | 90.6° | 77.0° |
| H051 | C05 | C06 | H061 | 43.2° | 49.9° |
| H051 | C05 | C06 | H062 | 161.7° | 169.7° |
| H052 | C05 | C06 | H061 | 75.6° | 70.7° |
| H052 | C05 | C06 | H062 | 42.9° | 49.1° |
