CU5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | C08 | sing | 1.36Å | 1.41Å | |
O11 | C10 | doub | 1.21Å | 1.14Å | |
C08 | C07 | doub | 1.38Å | 1.45Å | Aromatic |
C08 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
C07 | C06 | sing | 1.39Å | 1.36Å | Aromatic |
C10 | C09 | sing | 1.47Å | 1.47Å | |
C10 | C01 | sing | 1.52Å | 1.43Å | |
C09 | C04 | doub | 1.41Å | 1.37Å | Aromatic |
C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
C06 | O13 | sing | 1.36Å | 1.39Å | |
C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C01 | C02 | sing | 1.54Å | 1.49Å | |
C04 | C05 | sing | 1.39Å | 1.43Å | Aromatic |
C04 | O03 | sing | 1.35Å | 1.50Å | |
C05 | O14 | sing | 1.36Å | 1.35Å | |
C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C16 | C02 | sing | 1.51Å | 1.50Å | |
C02 | O03 | sing | 1.43Å | 1.47Å | |
O14 | C15 | sing | 1.43Å | 1.47Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C15 | H153 | sing | 1.09Å | 1.10Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.08Å | 1.08Å | |
O12 | H121 | sing | 0.97Å | 0.95Å | |
O13 | H131 | sing | 0.97Å | 0.95Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C08 | C07 | 118.8° | 120.2° |
O12 | C08 | C09 | 120.0° | 120.3° |
C08 | O12 | H121 | 109.5° | 114.0° |
O11 | C10 | C09 | 120.0° | 121.7° |
O11 | C10 | C01 | 121.7° | 121.7° |
C07 | C08 | C09 | 121.2° | 119.5° |
C08 | C07 | C06 | 118.4° | 120.1° |
C08 | C07 | H071 | 120.8° | 119.9° |
C08 | C09 | C10 | 119.7° | 120.6° |
C08 | C09 | C04 | 118.9° | 120.3° |
C07 | C06 | O13 | 121.0° | 119.7° |
C07 | C06 | C05 | 120.6° | 120.6° |
C06 | C07 | H071 | 120.8° | 119.9° |
C09 | C10 | C01 | 117.9° | 116.6° |
C10 | C09 | C04 | 121.1° | 119.1° |
C10 | C01 | C02 | 113.2° | 107.2° |
C10 | C01 | H011 | 108.5° | 109.9° |
C10 | C01 | H012 | 108.5° | 109.9° |
C09 | C04 | C05 | 119.4° | 119.3° |
C09 | C04 | O03 | 121.5° | 120.8° |
C19 | C18 | C17 | 121.1° | 120.0° |
C18 | C19 | C20 | 120.4° | 120.0° |
C19 | C18 | H181 | 119.5° | 120.0° |
C18 | C19 | H191 | 119.8° | 120.0° |
C18 | C17 | C16 | 117.7° | 120.0° |
C18 | C17 | H171 | 121.1° | 120.0° |
C17 | C18 | H181 | 119.4° | 120.0° |
C19 | C20 | C21 | 119.2° | 120.0° |
C19 | C20 | H201 | 120.4° | 120.0° |
C20 | C19 | H191 | 119.8° | 120.0° |
O13 | C06 | C05 | 118.3° | 119.7° |
C06 | O13 | H131 | 109.5° | 114.0° |
C06 | C05 | C04 | 121.4° | 120.2° |
C06 | C05 | O14 | 118.7° | 119.9° |
C17 | C16 | C21 | 121.2° | 120.0° |
C17 | C16 | C02 | 120.4° | 120.0° |
C16 | C17 | H171 | 121.1° | 120.0° |
C20 | C21 | C16 | 120.2° | 120.0° |
C21 | C20 | H201 | 120.4° | 120.0° |
C20 | C21 | H211 | 119.9° | 119.9° |
C01 | C02 | C16 | 106.8° | 109.4° |
C01 | C02 | O03 | 118.2° | 109.3° |
C02 | C01 | H011 | 108.5° | 109.9° |
C02 | C01 | H012 | 108.5° | 109.9° |
C01 | C02 | H021 | 108.3° | 109.5° |
C05 | C04 | O03 | 119.1° | 119.9° |
C04 | C05 | O14 | 119.9° | 120.0° |
C04 | O03 | C02 | 114.5° | 118.6° |
C05 | O14 | C15 | 115.7° | 117.0° |
C21 | C16 | C02 | 118.4° | 120.0° |
C16 | C21 | H211 | 119.9° | 120.0° |
C16 | C02 | O03 | 106.4° | 109.5° |
C16 | C02 | H021 | 108.2° | 109.5° |
O03 | C02 | H021 | 108.6° | 109.5° |
O14 | C15 | H151 | 109.5° | 109.5° |
O14 | C15 | H152 | 109.5° | 109.5° |
O14 | C15 | H153 | 109.5° | 109.5° |
H151 | C15 | H152 | 109.4° | 109.5° |
H151 | C15 | H153 | 109.5° | 109.5° |
H152 | C15 | H153 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C08 | C07 | C09 | 177.0° | 179.9° |
O12 | C08 | C07 | C06 | 179.3° | 179.9° |
O12 | C08 | C09 | C10 | 6.2° | 0.5° |
O12 | C08 | C09 | C04 | 179.6° | 179.6° |
O12 | C08 | C07 | H071 | 0.6° | 0.2° |
O11 | C10 | C09 | C08 | 12.7° | 11.7° |
O11 | C10 | C09 | C01 | 172.9° | 179.8° |
O11 | C10 | C09 | C04 | 174.0° | 168.1° |
O11 | C10 | C01 | C02 | 151.7° | 140.1° |
O11 | C10 | C01 | H011 | 87.8° | 20.7° |
O11 | C10 | C01 | H012 | 31.1° | 100.5° |
C08 | C07 | C06 | H071 | 180.0° | 179.8° |
C07 | C08 | C09 | C10 | 176.9° | 179.5° |
C07 | C08 | C09 | C04 | 3.5° | 0.3° |
C08 | C07 | C06 | O13 | 179.1° | 179.8° |
C08 | C07 | C06 | C05 | 1.4° | 0.2° |
C07 | C08 | O12 | H121 | 177.7° | 90.0° |
C09 | C08 | C07 | C06 | 2.4° | 0.0° |
C08 | C09 | C10 | C04 | 173.2° | 179.8° |
C08 | C09 | C10 | C01 | 160.2° | 168.1° |
C08 | C09 | C04 | C05 | 3.5° | 0.4° |
C08 | C09 | C04 | O03 | 177.1° | 179.5° |
C09 | C08 | C07 | H071 | 177.6° | 179.9° |
C09 | C08 | O12 | H121 | 0.7° | 89.9° |
C07 | C06 | O13 | C05 | 179.5° | 180.0° |
C07 | C06 | C05 | C04 | 1.6° | 0.1° |
C07 | C06 | C05 | O14 | 179.1° | 179.9° |
C07 | C06 | O13 | H131 | 180.0° | 90.0° |
C09 | C10 | C01 | C02 | 35.5° | 40.1° |
C10 | C09 | C04 | C05 | 176.8° | 179.4° |
C10 | C09 | C04 | O03 | 3.8° | 0.7° |
C09 | C10 | C01 | H011 | 85.0° | 159.5° |
C09 | C10 | C01 | H012 | 156.1° | 79.3° |
C01 | C10 | C09 | C04 | 13.0° | 12.1° |
C10 | C01 | C02 | H011 | 120.5° | 119.4° |
C10 | C01 | C02 | H012 | 120.5° | 119.4° |
C10 | C01 | C02 | C16 | 75.6° | 178.7° |
C10 | C01 | C02 | O03 | 44.1° | 58.7° |
C10 | C01 | H011 | H012 | 118.3° | 121.1° |
C10 | C01 | C02 | H021 | 168.0° | 61.3° |
C09 | C04 | C05 | C06 | 2.7° | 0.2° |
C09 | C04 | C05 | O03 | 179.4° | 179.9° |
C09 | C04 | C05 | O14 | 178.0° | 179.8° |
C09 | C04 | O03 | C02 | 4.0° | 22.4° |
C19 | C18 | C17 | H181 | 180.0° | 180.0° |
C18 | C19 | C20 | H191 | 180.0° | 180.0° |
C19 | C18 | C17 | C16 | 0.9° | 0.0° |
C18 | C19 | C20 | C21 | 1.8° | 0.4° |
C19 | C18 | C17 | H171 | 179.1° | 179.7° |
C18 | C19 | C20 | H201 | 178.2° | 179.6° |
C17 | C18 | C19 | C20 | 0.4° | 0.0° |
C18 | C17 | C16 | H171 | 180.0° | 179.8° |
C18 | C17 | C16 | C21 | 0.7° | 0.2° |
C18 | C17 | C16 | C02 | 179.6° | 179.7° |
C17 | C18 | C19 | H191 | 179.6° | 180.0° |
C19 | C20 | C21 | H201 | 180.0° | 179.3° |
C19 | C20 | C21 | C16 | 2.0° | 0.7° |
C19 | C20 | C21 | H211 | 178.0° | 179.4° |
C20 | C19 | C18 | H181 | 179.6° | 179.9° |
O13 | C06 | C05 | C04 | 178.9° | 179.9° |
O13 | C06 | C05 | O14 | 0.4° | 0.1° |
O13 | C06 | C07 | H071 | 0.9° | 0.0° |
C06 | C05 | C04 | O14 | 179.3° | 180.0° |
C06 | C05 | C04 | O03 | 177.9° | 179.7° |
C06 | C05 | O14 | C15 | 94.8° | 90.0° |
C05 | C06 | C07 | H071 | 178.6° | 180.0° |
C05 | C06 | O13 | H131 | 0.5° | 90.0° |
C17 | C16 | C21 | C20 | 0.7° | 0.6° |
C17 | C16 | C02 | C01 | 106.6° | 95.0° |
C17 | C16 | C21 | C02 | 179.7° | 180.0° |
C17 | C16 | C02 | O03 | 20.5° | 145.1° |
C17 | C16 | C21 | H211 | 179.3° | 179.5° |
C17 | C16 | C02 | H021 | 137.0° | 25.0° |
C16 | C17 | C18 | H181 | 179.1° | 180.0° |
C20 | C21 | C16 | H211 | 180.0° | 179.9° |
C20 | C21 | C16 | C02 | 178.9° | 179.4° |
C21 | C20 | C19 | H191 | 178.2° | 179.7° |
C01 | C02 | O03 | C04 | 28.1° | 52.5° |
C01 | C02 | C16 | C21 | 73.8° | 85.0° |
C01 | C02 | C16 | O03 | 127.1° | 119.8° |
C01 | C02 | C16 | H021 | 116.4° | 120.0° |
C01 | C02 | O03 | H021 | 123.8° | 120.0° |
C02 | C01 | H011 | H012 | 118.3° | 121.2° |
C05 | C04 | O03 | C02 | 175.5° | 157.7° |
C04 | C05 | O14 | C15 | 84.6° | 89.9° |
O03 | C04 | C05 | O14 | 1.4° | 0.3° |
C04 | O03 | C02 | C16 | 91.9° | 172.4° |
C04 | O03 | C02 | H021 | 151.9° | 67.4° |
C05 | O14 | C15 | H151 | 180.0° | 180.0° |
C05 | O14 | C15 | H152 | 60.0° | 59.9° |
C05 | O14 | C15 | H153 | 60.0° | 60.1° |
C21 | C16 | C02 | O03 | 159.1° | 34.8° |
C21 | C16 | C17 | H171 | 179.3° | 180.0° |
C16 | C21 | C20 | H201 | 178.0° | 179.9° |
C21 | C16 | C02 | H021 | 42.6° | 155.0° |
C16 | C02 | O03 | H021 | 116.3° | 120.1° |
C02 | C16 | C17 | H171 | 0.4° | 0.0° |
C02 | C16 | C21 | H211 | 1.0° | 0.6° |
C16 | C02 | C01 | H011 | 163.9° | 61.9° |
C16 | C02 | C01 | H012 | 44.9° | 59.3° |
O03 | C02 | C01 | H011 | 76.4° | 178.1° |
O03 | C02 | C01 | H012 | 164.6° | 60.7° |
O14 | C15 | H151 | H152 | 120.0° | 120.0° |
O14 | C15 | H151 | H153 | 120.0° | 120.0° |
O14 | C15 | H152 | H153 | 120.0° | 120.0° |
H151 | C15 | H152 | H153 | 120.0° | 120.0° |
H171 | C17 | C18 | H181 | 0.9° | 0.2° |
H201 | C20 | C21 | H211 | 2.0° | 0.2° |
H201 | C20 | C19 | H191 | 1.8° | 0.4° |
H011 | C01 | C02 | H021 | 47.5° | 58.1° |
H012 | C01 | C02 | H021 | 71.4° | 179.3° |
H181 | C18 | C19 | H191 | 0.4° | 0.0° |