RK9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N22 | C21 | trip | 1.14Å | 1.13Å | |
C21 | C20 | sing | 1.43Å | 1.51Å | |
C19 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C20 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
C17 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
C16 | N15 | sing | 1.40Å | 1.44Å | |
O13 | S12 | doub | 1.42Å | 1.46Å | |
N15 | S12 | sing | 1.66Å | 1.69Å | |
S12 | O14 | doub | 1.42Å | 1.47Å | |
S12 | C10 | sing | 1.76Å | 1.81Å | |
S11 | C10 | sing | 1.76Å | 1.61Å | Aromatic |
S11 | C06 | sing | 1.71Å | 1.62Å | Aromatic |
C10 | C08 | doub | 1.33Å | 1.41Å | Aromatic |
O04 | C03 | doub | 1.21Å | 1.18Å | |
C08 | C09 | sing | 1.51Å | 1.51Å | |
C08 | N07 | sing | 1.32Å | 1.44Å | Aromatic |
C06 | N07 | doub | 1.30Å | 1.37Å | Aromatic |
C06 | N05 | sing | 1.39Å | 1.41Å | |
C03 | N05 | sing | 1.35Å | 1.42Å | |
C03 | C02 | sing | 1.51Å | 1.51Å | |
C01 | C02 | sing | 1.53Å | 1.51Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
C19 | H191 | sing | 1.08Å | 1.08Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C09 | H091 | sing | 1.09Å | 1.10Å | |
C09 | H093 | sing | 1.09Å | 1.10Å | |
C09 | H092 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
N05 | H051 | sing | 0.97Å | 1.00Å | |
N15 | H151 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N22 | C21 | C20 | 179.7° | 180.0° |
C21 | C20 | C19 | 120.7° | 120.1° |
C21 | C20 | C23 | 118.5° | 120.1° |
C20 | C19 | C18 | 120.0° | 120.0° |
C19 | C20 | C23 | 120.8° | 119.8° |
C20 | C19 | H191 | 120.0° | 120.0° |
C19 | C18 | C17 | 119.1° | 120.2° |
C19 | C18 | H181 | 120.5° | 119.9° |
C18 | C19 | H191 | 120.0° | 120.0° |
C20 | C23 | C16 | 118.7° | 119.8° |
C20 | C23 | H231 | 120.6° | 120.1° |
C18 | C17 | C16 | 120.2° | 120.2° |
C17 | C18 | H181 | 120.4° | 119.9° |
C18 | C17 | H171 | 119.9° | 119.8° |
C23 | C16 | C17 | 121.2° | 120.0° |
C23 | C16 | N15 | 121.1° | 120.0° |
C16 | C23 | H231 | 120.6° | 120.1° |
C17 | C16 | N15 | 117.7° | 120.0° |
C16 | C17 | H171 | 119.9° | 119.9° |
C16 | N15 | S12 | 121.0° | 120.0° |
C16 | N15 | H151 | 106.5° | 120.0° |
O13 | S12 | N15 | 114.4° | 106.4° |
O13 | S12 | O14 | 104.2° | 123.2° |
O13 | S12 | C10 | 108.3° | 106.4° |
N15 | S12 | O14 | 106.5° | 106.4° |
N15 | S12 | C10 | 114.1° | 107.2° |
S12 | N15 | H151 | 106.5° | 120.0° |
O14 | S12 | C10 | 108.7° | 106.4° |
S12 | C10 | S11 | 125.7° | 126.0° |
S12 | C10 | C08 | 123.0° | 126.0° |
C10 | S11 | C06 | 95.4° | 90.4° |
S11 | C10 | C08 | 111.2° | 108.0° |
S11 | C06 | N07 | 113.5° | 110.1° |
S11 | C06 | N05 | 127.4° | 125.0° |
C10 | C08 | C09 | 126.5° | 122.7° |
C10 | C08 | N07 | 110.7° | 114.6° |
O04 | C03 | N05 | 121.9° | 120.0° |
O04 | C03 | C02 | 125.4° | 120.0° |
C09 | C08 | N07 | 122.8° | 122.7° |
C08 | C09 | H091 | 109.5° | 109.5° |
C08 | C09 | H093 | 109.5° | 109.5° |
C08 | C09 | H092 | 109.5° | 109.5° |
C08 | N07 | C06 | 109.2° | 116.9° |
N07 | C06 | N05 | 119.0° | 124.9° |
C06 | N05 | C03 | 122.2° | 120.0° |
C06 | N05 | H051 | 118.9° | 120.0° |
N05 | C03 | C02 | 112.7° | 120.0° |
C03 | N05 | H051 | 118.9° | 120.0° |
C03 | C02 | C01 | 115.4° | 109.5° |
C03 | C02 | H021 | 108.0° | 109.5° |
C03 | C02 | H022 | 108.0° | 109.4° |
C02 | C01 | H013 | 109.5° | 109.5° |
C02 | C01 | H012 | 109.5° | 109.5° |
C02 | C01 | H011 | 109.5° | 109.5° |
C01 | C02 | H021 | 108.0° | 109.5° |
C01 | C02 | H022 | 108.0° | 109.5° |
H013 | C01 | H012 | 109.5° | 109.5° |
H013 | C01 | H011 | 109.5° | 109.5° |
H012 | C01 | H011 | 109.5° | 109.4° |
H021 | C02 | H022 | 109.5° | 109.5° |
H091 | C09 | H093 | 109.5° | 109.5° |
H091 | C09 | H092 | 109.4° | 109.4° |
H093 | C09 | H092 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N22 | C21 | C20 | C19 | 147.0° | 50.4° |
N22 | C21 | C20 | C23 | 32.9° | 130.4° |
C21 | C20 | C19 | C23 | 179.9° | 179.2° |
C21 | C20 | C19 | C18 | 179.9° | 179.7° |
C21 | C20 | C23 | C16 | 179.8° | 180.0° |
C21 | C20 | C19 | H191 | 0.1° | 0.3° |
C21 | C20 | C23 | H231 | 0.2° | 0.8° |
C20 | C19 | C18 | H191 | 180.0° | 180.0° |
C20 | C19 | C18 | C17 | 0.0° | 0.0° |
C19 | C20 | C23 | C16 | 0.2° | 0.8° |
C20 | C19 | C18 | H181 | 180.0° | 179.7° |
C19 | C20 | C23 | H231 | 179.8° | 180.0° |
C18 | C19 | C20 | C23 | 0.1° | 0.6° |
C19 | C18 | C17 | H181 | 180.0° | 179.7° |
C19 | C18 | C17 | C16 | 0.4° | 0.2° |
C19 | C18 | C17 | H171 | 179.6° | 179.8° |
C20 | C23 | C16 | H231 | 180.0° | 179.2° |
C20 | C23 | C16 | C17 | 0.6° | 0.6° |
C20 | C23 | C16 | N15 | 179.8° | 179.5° |
C23 | C20 | C19 | H191 | 179.9° | 179.5° |
C18 | C17 | C16 | C23 | 0.7° | 0.1° |
C18 | C17 | C16 | H171 | 180.0° | 180.0° |
C18 | C17 | C16 | N15 | 179.9° | 180.0° |
C17 | C18 | C19 | H191 | 180.0° | 180.0° |
C23 | C16 | C17 | N15 | 179.2° | 179.9° |
C23 | C16 | N15 | S12 | 2.1° | 135.0° |
C23 | C16 | C17 | H171 | 179.3° | 180.0° |
C23 | C16 | N15 | H151 | 123.7° | 45.0° |
C17 | C16 | N15 | S12 | 177.1° | 45.1° |
C16 | C17 | C18 | H181 | 179.6° | 180.0° |
C17 | C16 | C23 | H231 | 179.4° | 179.8° |
C17 | C16 | N15 | H151 | 55.5° | 135.0° |
C16 | N15 | S12 | O13 | 43.0° | 48.6° |
C16 | N15 | S12 | H151 | 121.6° | 180.0° |
C16 | N15 | S12 | O14 | 157.5° | 178.5° |
C16 | N15 | S12 | C10 | 82.6° | 65.0° |
N15 | C16 | C17 | H171 | 0.1° | 0.0° |
N15 | C16 | C23 | H231 | 0.2° | 0.3° |
O13 | S12 | N15 | O14 | 114.6° | 132.9° |
O13 | S12 | N15 | C10 | 125.5° | 113.5° |
O13 | S12 | O14 | C10 | 115.3° | 123.0° |
O13 | S12 | C10 | S11 | 6.9° | 23.2° |
O13 | S12 | C10 | C08 | 170.5° | 156.5° |
O13 | S12 | N15 | H151 | 78.7° | 131.5° |
N15 | S12 | O14 | C10 | 123.4° | 114.1° |
N15 | S12 | C10 | S11 | 121.8° | 90.3° |
N15 | S12 | C10 | C08 | 60.8° | 90.0° |
O14 | S12 | C10 | S11 | 119.6° | 156.2° |
O14 | S12 | C10 | C08 | 57.8° | 23.5° |
O14 | S12 | N15 | H151 | 35.9° | 1.5° |
S12 | C10 | S11 | C08 | 177.7° | 179.7° |
S12 | C10 | S11 | C06 | 177.4° | 179.7° |
S12 | C10 | C08 | C09 | 2.3° | 0.3° |
S12 | C10 | C08 | N07 | 177.2° | 179.8° |
C10 | S12 | N15 | H151 | 155.8° | 115.0° |
S11 | C10 | C08 | C09 | 180.0° | 180.0° |
S11 | C10 | C08 | N07 | 0.5° | 0.0° |
C10 | S11 | C06 | N07 | 0.0° | 0.0° |
C10 | S11 | C06 | N05 | 176.3° | 179.9° |
C06 | S11 | C10 | C08 | 0.3° | 0.0° |
S11 | C06 | N07 | C08 | 0.3° | 0.1° |
S11 | C06 | N07 | N05 | 176.6° | 179.9° |
S11 | C06 | N05 | C03 | 1.1° | 180.0° |
S11 | C06 | N05 | H051 | 178.9° | 0.1° |
C10 | C08 | C09 | N07 | 179.5° | 180.0° |
C10 | C08 | N07 | C06 | 0.5° | 0.1° |
C10 | C08 | C09 | H091 | 179.5° | 90.0° |
C10 | C08 | C09 | H093 | 59.5° | 150.0° |
C10 | C08 | C09 | H092 | 60.5° | 30.0° |
O04 | C03 | N05 | C06 | 5.8° | 0.0° |
O04 | C03 | N05 | C02 | 177.8° | 180.0° |
O04 | C03 | C02 | C01 | 7.1° | 0.0° |
O04 | C03 | C02 | H021 | 128.0° | 120.1° |
O04 | C03 | C02 | H022 | 113.8° | 120.0° |
O04 | C03 | N05 | H051 | 174.2° | 179.9° |
C09 | C08 | N07 | C06 | 179.9° | 180.0° |
C08 | C09 | H091 | H093 | 120.0° | 120.0° |
C08 | C09 | H091 | H092 | 120.0° | 120.0° |
C08 | C09 | H093 | H092 | 120.0° | 120.0° |
C08 | N07 | C06 | N05 | 176.9° | 179.9° |
N07 | C08 | C09 | H091 | 0.0° | 90.0° |
N07 | C08 | C09 | H093 | 120.0° | 30.0° |
N07 | C08 | C09 | H092 | 120.0° | 150.0° |
N07 | C06 | N05 | C03 | 177.2° | 0.1° |
N07 | C06 | N05 | H051 | 2.8° | 180.0° |
C06 | N05 | C03 | H051 | 180.0° | 179.9° |
C06 | N05 | C03 | C02 | 176.4° | 180.0° |
N05 | C03 | C02 | C01 | 175.2° | 180.0° |
N05 | C03 | C02 | H021 | 54.4° | 59.9° |
N05 | C03 | C02 | H022 | 63.9° | 60.0° |
C03 | C02 | C01 | H021 | 120.9° | 120.0° |
C03 | C02 | C01 | H022 | 120.9° | 119.9° |
C03 | C02 | C01 | H013 | 180.0° | 60.0° |
C03 | C02 | C01 | H012 | 60.0° | 60.0° |
C03 | C02 | C01 | H011 | 60.0° | 180.0° |
C03 | C02 | H021 | H022 | 117.3° | 119.9° |
C02 | C03 | N05 | H051 | 3.6° | 0.1° |
C02 | C01 | H013 | H012 | 120.0° | 120.0° |
C02 | C01 | H013 | H011 | 120.0° | 120.0° |
C02 | C01 | H012 | H011 | 120.0° | 120.0° |
C01 | C02 | H021 | H022 | 117.3° | 120.0° |
H181 | C18 | C17 | H171 | 0.4° | 0.0° |
H181 | C18 | C19 | H191 | 0.0° | 0.3° |
H013 | C01 | H012 | H011 | 120.0° | 120.0° |
H013 | C01 | C02 | H021 | 59.1° | 60.0° |
H013 | C01 | C02 | H022 | 59.1° | 179.9° |
H012 | C01 | C02 | H021 | 179.1° | 180.0° |
H012 | C01 | C02 | H022 | 60.9° | 60.0° |
H011 | C01 | C02 | H021 | 60.9° | 60.0° |
H011 | C01 | C02 | H022 | 179.1° | 60.0° |
H091 | C09 | H093 | H092 | 120.0° | 120.0° |