4CU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.31Å | 1.32Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C21 | O22 | sing | 1.36Å | 1.40Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| O09 | C08 | doub | 1.22Å | 1.26Å | |
| C06 | C05 | sing | 1.47Å | 1.53Å | |
| C06 | C07 | doub | 1.35Å | 1.32Å | |
| C08 | C07 | sing | 1.42Å | 1.53Å | |
| C08 | O10 | sing | 1.35Å | 1.26Å | |
| O22 | C23 | sing | 1.43Å | 1.40Å | |
| C05 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.2° | 120.1° |
| C18 | C17 | H171 | 119.9° | 119.9° |
| C17 | C18 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C17 | C16 | C15 | 112.5° | 109.5° |
| C16 | C17 | H171 | 119.9° | 120.0° |
| C17 | C16 | H161 | 108.7° | 109.4° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C16 | C15 | C19 | 119.6° | 119.8° |
| C16 | C15 | C14 | 120.2° | 119.9° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| C19 | C15 | C14 | 120.2° | 120.3° |
| C15 | C19 | C20 | 119.8° | 120.3° |
| C15 | C19 | H191 | 120.1° | 119.8° |
| C15 | C14 | C13 | 120.1° | 119.9° |
| C15 | C14 | H141 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.1° |
| C19 | C20 | H201 | 120.0° | 120.0° |
| C20 | C19 | H191 | 120.1° | 119.9° |
| C14 | C13 | C21 | 119.5° | 119.7° |
| C14 | C13 | C12 | 120.3° | 120.1° |
| C13 | C14 | H141 | 119.9° | 120.1° |
| C20 | C21 | C13 | 120.3° | 119.8° |
| C20 | C21 | O22 | 120.1° | 120.1° |
| C21 | C20 | H201 | 120.0° | 120.0° |
| C21 | C13 | C12 | 120.3° | 120.2° |
| C13 | C21 | O22 | 119.7° | 120.1° |
| C13 | C12 | C11 | 120.5° | 120.1° |
| C13 | C12 | C02 | 120.1° | 120.1° |
| C21 | O22 | C23 | 115.4° | 116.9° |
| C12 | C11 | C05 | 120.3° | 119.8° |
| C11 | C12 | C02 | 119.4° | 119.8° |
| C12 | C11 | H111 | 119.9° | 120.1° |
| C11 | C05 | C06 | 120.7° | 120.1° |
| C11 | C05 | C04 | 119.9° | 119.9° |
| C05 | C11 | H111 | 119.9° | 120.1° |
| C12 | C02 | O01 | 120.3° | 119.9° |
| C12 | C02 | C03 | 120.3° | 120.1° |
| O09 | C08 | C07 | 120.4° | 120.0° |
| O09 | C08 | O10 | 119.8° | 120.0° |
| C05 | C06 | C07 | 119.7° | 120.1° |
| C06 | C05 | C04 | 119.4° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.8° | 120.0° |
| C07 | C06 | H061 | 120.1° | 120.0° |
| C06 | C07 | H071 | 119.6° | 120.0° |
| C07 | C08 | O10 | 119.7° | 120.0° |
| C08 | C07 | H071 | 119.6° | 120.0° |
| C08 | O10 | H1 | 109.5° | 114.0° |
| O22 | C23 | C24 | 107.6° | 109.4° |
| O22 | C23 | H232 | 109.9° | 109.5° |
| O22 | C23 | H231 | 110.0° | 109.5° |
| C05 | C04 | C03 | 120.0° | 120.1° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C23 | C24 | C25 | 112.1° | 109.5° |
| C24 | C23 | H232 | 109.9° | 109.5° |
| C24 | C23 | H231 | 109.9° | 109.5° |
| C23 | C24 | H241 | 108.8° | 109.5° |
| C23 | C24 | H242 | 108.8° | 109.5° |
| O01 | C02 | C03 | 119.4° | 119.9° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C03 | C04 | 120.1° | 120.2° |
| C02 | C03 | H031 | 120.0° | 119.9° |
| C04 | C03 | H031 | 119.9° | 119.9° |
| C03 | C04 | H041 | 120.0° | 119.9° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.8° | 109.4° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H182 | C18 | H181 | 120.0° | 120.0° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H171 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 128.6° | 124.9° |
| C18 | C17 | C16 | H161 | 111.0° | 4.9° |
| C18 | C17 | C16 | H162 | 8.2° | 115.0° |
| C17 | C18 | H182 | H181 | 180.0° | 180.0° |
| C17 | C16 | C15 | H161 | 120.5° | 120.0° |
| C17 | C16 | C15 | H162 | 120.4° | 120.0° |
| C17 | C16 | C15 | C19 | 122.7° | 90.0° |
| C17 | C16 | C15 | C14 | 57.5° | 90.0° |
| C17 | C16 | H161 | H162 | 118.6° | 120.0° |
| C16 | C17 | C18 | H182 | 180.0° | 180.0° |
| C16 | C17 | C18 | H181 | 0.0° | 0.0° |
| C16 | C15 | C19 | C14 | 179.7° | 179.9° |
| C16 | C15 | C19 | C20 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 0.2° | 0.2° |
| C15 | C16 | C17 | H171 | 51.4° | 55.0° |
| C15 | C16 | H161 | H162 | 118.6° | 120.0° |
| C16 | C15 | C19 | H191 | 0.1° | 0.0° |
| C15 | C19 | C20 | H191 | 180.0° | 180.0° |
| C19 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C19 | C20 | C21 | 0.3° | 0.3° |
| C19 | C15 | C14 | H141 | 180.0° | 179.8° |
| C15 | C19 | C20 | H201 | 179.7° | 179.8° |
| C19 | C15 | C16 | H161 | 2.3° | 150.0° |
| C19 | C15 | C16 | H162 | 116.8° | 30.0° |
| C14 | C15 | C19 | C20 | 0.2° | 0.0° |
| C15 | C14 | C13 | H141 | 180.0° | 179.8° |
| C15 | C14 | C13 | C21 | 0.0° | 0.2° |
| C15 | C14 | C13 | C12 | 179.8° | 179.7° |
| C14 | C15 | C16 | H161 | 178.0° | 29.9° |
| C14 | C15 | C16 | H162 | 62.9° | 149.9° |
| C14 | C15 | C19 | H191 | 179.8° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.5° |
| C19 | C20 | C21 | C13 | 0.3° | 0.5° |
| C19 | C20 | C21 | O22 | 179.9° | 179.5° |
| C14 | C13 | C21 | C20 | 0.2° | 0.5° |
| C14 | C13 | C21 | C12 | 179.8° | 179.9° |
| C14 | C13 | C21 | O22 | 179.7° | 179.5° |
| C14 | C13 | C12 | C11 | 48.5° | 65.3° |
| C14 | C13 | C12 | C02 | 131.1° | 115.0° |
| C20 | C21 | C13 | O22 | 179.6° | 180.0° |
| C20 | C21 | C13 | C12 | 179.6° | 179.5° |
| C20 | C21 | O22 | C23 | 58.0° | 0.0° |
| C21 | C20 | C19 | H191 | 179.7° | 179.7° |
| C21 | C13 | C12 | C11 | 131.6° | 114.8° |
| C21 | C13 | C12 | C02 | 48.7° | 65.0° |
| C13 | C21 | O22 | C23 | 122.5° | 180.0° |
| C21 | C13 | C14 | H141 | 180.0° | 180.0° |
| C13 | C21 | C20 | H201 | 179.7° | 180.0° |
| C12 | C13 | C21 | O22 | 0.1° | 0.6° |
| C13 | C12 | C11 | C02 | 179.6° | 179.7° |
| C13 | C12 | C11 | C05 | 179.9° | 179.7° |
| C13 | C12 | C02 | O01 | 0.4° | 0.3° |
| C13 | C12 | C02 | C03 | 180.0° | 179.7° |
| C13 | C12 | C11 | H111 | 0.1° | 0.3° |
| C12 | C13 | C14 | H141 | 0.2° | 0.1° |
| C21 | O22 | C23 | C24 | 128.6° | 180.0° |
| O22 | C21 | C20 | H201 | 0.2° | 0.1° |
| C21 | O22 | C23 | H232 | 111.7° | 60.0° |
| C21 | O22 | C23 | H231 | 8.9° | 60.0° |
| C12 | C11 | C05 | H111 | 180.0° | 179.9° |
| C12 | C11 | C05 | C06 | 179.9° | 180.0° |
| C12 | C11 | C05 | C04 | 0.0° | 0.0° |
| C11 | C12 | C02 | O01 | 180.0° | 180.0° |
| C11 | C12 | C02 | C03 | 0.4° | 0.0° |
| C05 | C11 | C12 | C02 | 0.3° | 0.0° |
| C11 | C05 | C06 | C04 | 179.9° | 180.0° |
| C11 | C05 | C06 | C07 | 135.5° | 180.0° |
| C11 | C05 | C04 | C03 | 0.2° | 0.0° |
| C11 | C05 | C04 | H041 | 179.8° | 180.0° |
| C11 | C05 | C06 | H061 | 44.5° | 0.0° |
| C12 | C02 | O01 | C03 | 179.6° | 180.0° |
| C12 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C12 | C11 | H111 | 179.7° | 179.9° |
| C12 | C02 | O01 | H011 | 180.0° | 90.0° |
| C12 | C02 | C03 | H031 | 179.8° | 179.9° |
| O09 | C08 | C07 | C06 | 8.3° | 0.1° |
| O09 | C08 | C07 | O10 | 179.6° | 179.9° |
| O09 | C08 | C07 | H071 | 171.7° | 180.0° |
| O09 | C08 | O10 | H1 | 0.0° | 0.1° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 179.9° | 180.0° |
| C06 | C05 | C11 | H111 | 0.1° | 0.0° |
| C06 | C05 | C04 | H041 | 0.1° | 0.0° |
| C05 | C06 | C07 | H071 | 0.0° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | O10 | 172.1° | 180.0° |
| C07 | C06 | C05 | C04 | 44.6° | 0.1° |
| C08 | C07 | C06 | H061 | 0.0° | 0.0° |
| C07 | C08 | O10 | H1 | 179.6° | 180.0° |
| O10 | C08 | C07 | H071 | 7.9° | 0.1° |
| O22 | C23 | C24 | H232 | 119.7° | 120.0° |
| O22 | C23 | C24 | H231 | 119.7° | 120.0° |
| O22 | C23 | C24 | C25 | 46.9° | 180.0° |
| O22 | C23 | H232 | H231 | 120.9° | 120.0° |
| O22 | C23 | C24 | H241 | 167.3° | 59.9° |
| O22 | C23 | C24 | H242 | 73.5° | 60.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C04 | C05 | C11 | H111 | 180.0° | 179.9° |
| C05 | C04 | C03 | H031 | 179.9° | 179.9° |
| C04 | C05 | C06 | H061 | 135.4° | 180.0° |
| C23 | C24 | C25 | H241 | 120.4° | 120.1° |
| C23 | C24 | C25 | H242 | 120.4° | 120.0° |
| C24 | C23 | H232 | H231 | 120.8° | 120.0° |
| C23 | C24 | H241 | H242 | 118.8° | 120.1° |
| C23 | C24 | C25 | H252 | 180.0° | 60.0° |
| C23 | C24 | C25 | H251 | 60.0° | 60.0° |
| C23 | C24 | C25 | H253 | 60.0° | 180.0° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C03 | H031 | 0.2° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C03 | C02 | O01 | H011 | 0.4° | 90.0° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C25 | C24 | C23 | H232 | 72.8° | 60.0° |
| C25 | C24 | C23 | H231 | 166.6° | 60.0° |
| C25 | C24 | H241 | H242 | 118.8° | 119.9° |
| C24 | C25 | H252 | H251 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 119.9° | 120.0° |
| H171 | C17 | C16 | H161 | 69.0° | 175.0° |
| H171 | C17 | C16 | H162 | 171.8° | 65.1° |
| H171 | C17 | C18 | H182 | 0.0° | 0.0° |
| H171 | C17 | C18 | H181 | 180.0° | 179.9° |
| H201 | C20 | C19 | H191 | 0.3° | 0.2° |
| H031 | C03 | C04 | H041 | 0.1° | 0.0° |
| H061 | C06 | C07 | H071 | 180.0° | 180.0° |
| H232 | C23 | C24 | H241 | 47.6° | 180.0° |
| H232 | C23 | C24 | H242 | 166.8° | 60.0° |
| H231 | C23 | C24 | H241 | 73.0° | 60.0° |
| H231 | C23 | C24 | H242 | 46.2° | 180.0° |
| H241 | C24 | C25 | H252 | 59.6° | 179.9° |
| H241 | C24 | C25 | H251 | 179.6° | 60.0° |
| H241 | C24 | C25 | H253 | 60.4° | 59.9° |
| H242 | C24 | C25 | H252 | 59.6° | 60.0° |
| H242 | C24 | C25 | H251 | 60.4° | 179.9° |
| H242 | C24 | C25 | H253 | 179.6° | 60.0° |
| H252 | C25 | H251 | H253 | 120.0° | 120.0° |
