7SC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N19 | C20 | sing | 1.47Å | 1.45Å | |
N19 | C18 | sing | 1.37Å | 1.44Å | |
N28 | C18 | sing | 1.36Å | 1.42Å | |
N28 | C29 | sing | 1.35Å | 1.39Å | |
O30 | C29 | doub | 1.22Å | 1.25Å | |
C20 | C21 | sing | 1.53Å | 1.55Å | |
C18 | N17 | doub | 1.31Å | 1.41Å | |
C29 | C15 | sing | 1.41Å | 1.49Å | |
C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.51Å | 1.54Å | |
C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
N17 | C16 | sing | 1.34Å | 1.44Å | |
C15 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
C15 | C14 | sing | 1.46Å | 1.40Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | N12 | sing | 1.36Å | 1.35Å | Aromatic |
C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
C14 | C13 | doub | 1.34Å | 1.38Å | Aromatic |
N12 | C13 | sing | 1.37Å | 1.35Å | Aromatic |
N12 | C11 | sing | 1.46Å | 1.43Å | |
C11 | C02 | sing | 1.51Å | 1.54Å | |
O01 | C02 | doub | 1.21Å | 1.22Å | |
C02 | N03 | sing | 1.35Å | 1.43Å | |
N03 | C04 | sing | 1.40Å | 1.45Å | |
C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | C09 | sing | 1.40Å | 1.37Å | Aromatic |
C06 | N07 | doub | 1.32Å | 1.35Å | Aromatic |
C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | CL10 | sing | 1.74Å | 1.72Å | |
N07 | C08 | sing | 1.32Å | 1.34Å | Aromatic |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C24 | H241 | sing | 1.08Å | 1.08Å | |
N03 | H031 | sing | 0.97Å | 1.00Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
N19 | H191 | sing | 0.97Å | 1.00Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
C27 | H271 | sing | 1.08Å | 1.08Å | |
N28 | H281 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | N19 | C18 | 120.8° | 120.0° |
N19 | C20 | C21 | 100.9° | 109.5° |
N19 | C20 | H201 | 111.6° | 109.5° |
N19 | C20 | H202 | 111.6° | 109.5° |
C20 | N19 | H191 | 119.6° | 120.0° |
N19 | C18 | N28 | 119.0° | 118.9° |
N19 | C18 | N17 | 120.1° | 119.0° |
C18 | N19 | H191 | 119.6° | 120.0° |
C18 | N28 | C29 | 122.6° | 120.1° |
N28 | C18 | N17 | 120.9° | 122.2° |
C18 | N28 | H281 | 118.7° | 120.0° |
N28 | C29 | O30 | 118.9° | 120.8° |
N28 | C29 | C15 | 117.0° | 118.3° |
C29 | N28 | H281 | 118.7° | 119.9° |
O30 | C29 | C15 | 124.1° | 120.9° |
C20 | C21 | C22 | 119.1° | 109.5° |
C21 | C20 | H201 | 111.5° | 109.5° |
C21 | C20 | H202 | 111.6° | 109.4° |
C20 | C21 | H211 | 107.0° | 109.5° |
C20 | C21 | H212 | 107.0° | 109.5° |
C18 | N17 | C16 | 117.2° | 121.2° |
C29 | C15 | C16 | 119.4° | 119.1° |
C29 | C15 | C14 | 133.8° | 134.6° |
C24 | C23 | C22 | 120.3° | 119.9° |
C23 | C24 | C25 | 120.2° | 120.1° |
C24 | C23 | H231 | 119.8° | 120.0° |
C23 | C24 | H241 | 119.9° | 120.0° |
C23 | C22 | C21 | 121.2° | 120.0° |
C23 | C22 | C27 | 119.3° | 120.1° |
C22 | C23 | H231 | 119.9° | 120.0° |
C21 | C22 | C27 | 119.4° | 120.0° |
C22 | C21 | H211 | 107.0° | 109.4° |
C22 | C21 | H212 | 107.0° | 109.5° |
C24 | C25 | C26 | 119.8° | 120.0° |
C25 | C24 | H241 | 119.9° | 120.0° |
C24 | C25 | H251 | 120.1° | 120.0° |
C22 | C27 | C26 | 120.7° | 120.0° |
C22 | C27 | H271 | 119.6° | 120.0° |
N17 | C16 | C15 | 123.0° | 119.2° |
N17 | C16 | N12 | 128.3° | 133.6° |
C16 | C15 | C14 | 106.8° | 106.3° |
C15 | C16 | N12 | 108.7° | 107.2° |
C15 | C14 | C13 | 107.2° | 106.7° |
C15 | C14 | H141 | 126.4° | 126.6° |
C25 | C26 | C27 | 119.6° | 120.0° |
C26 | C25 | H251 | 120.1° | 120.0° |
C25 | C26 | H261 | 120.2° | 120.0° |
C16 | N12 | C13 | 109.5° | 110.1° |
C16 | N12 | C11 | 122.5° | 124.9° |
C27 | C26 | H261 | 120.2° | 120.0° |
C26 | C27 | H271 | 119.6° | 120.0° |
C14 | C13 | N12 | 107.8° | 109.6° |
C13 | C14 | H141 | 126.4° | 126.7° |
C14 | C13 | H131 | 126.1° | 125.1° |
C13 | N12 | C11 | 127.9° | 125.0° |
N12 | C13 | H131 | 126.1° | 125.2° |
N12 | C11 | C02 | 116.5° | 109.5° |
N12 | C11 | H112 | 107.7° | 109.5° |
N12 | C11 | H111 | 107.7° | 109.5° |
C11 | C02 | O01 | 124.7° | 120.0° |
C11 | C02 | N03 | 111.1° | 120.0° |
C02 | C11 | H112 | 107.7° | 109.5° |
C02 | C11 | H111 | 107.7° | 109.4° |
O01 | C02 | N03 | 124.0° | 120.0° |
C02 | N03 | C04 | 124.8° | 120.0° |
C02 | N03 | H031 | 117.6° | 120.0° |
N03 | C04 | C05 | 123.4° | 120.8° |
N03 | C04 | C09 | 117.6° | 120.9° |
C04 | N03 | H031 | 117.6° | 120.0° |
C04 | C05 | C06 | 119.5° | 119.1° |
C05 | C04 | C09 | 118.9° | 118.3° |
C04 | C05 | H051 | 120.2° | 120.5° |
C05 | C06 | N07 | 120.5° | 120.9° |
C06 | C05 | H051 | 120.3° | 120.4° |
C05 | C06 | H061 | 119.8° | 119.6° |
C04 | C09 | C08 | 118.8° | 119.0° |
C04 | C09 | CL10 | 122.5° | 120.5° |
C06 | N07 | C08 | 119.8° | 121.9° |
N07 | C06 | H061 | 119.7° | 119.6° |
C08 | C09 | CL10 | 118.7° | 120.5° |
C09 | C08 | N07 | 122.4° | 120.8° |
C09 | C08 | H081 | 118.8° | 119.6° |
N07 | C08 | H081 | 118.8° | 119.6° |
H201 | C20 | H202 | 109.5° | 109.5° |
H211 | C21 | H212 | 109.5° | 109.5° |
H112 | C11 | H111 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C20 | N19 | C18 | H191 | 180.0° | 180.0° |
C20 | N19 | C18 | N28 | 176.9° | 179.9° |
N19 | C20 | C21 | H201 | 118.6° | 120.0° |
N19 | C20 | C21 | H202 | 118.6° | 120.0° |
C20 | N19 | C18 | N17 | 3.7° | 0.0° |
N19 | C20 | C21 | C22 | 168.7° | 180.0° |
N19 | C20 | H201 | H202 | 124.0° | 120.0° |
N19 | C20 | C21 | H211 | 69.9° | 60.0° |
N19 | C20 | C21 | H212 | 47.3° | 60.0° |
N19 | C18 | N28 | N17 | 179.3° | 179.9° |
N19 | C18 | N28 | C29 | 180.0° | 179.8° |
C18 | N19 | C20 | C21 | 85.9° | 180.0° |
N19 | C18 | N17 | C16 | 179.3° | 180.0° |
C18 | N19 | C20 | H201 | 155.5° | 60.0° |
C18 | N19 | C20 | H202 | 32.7° | 60.0° |
N19 | C18 | N28 | H281 | 0.0° | 0.1° |
C18 | N28 | C29 | H281 | 180.0° | 179.9° |
C18 | N28 | C29 | O30 | 179.7° | 180.0° |
C18 | N28 | C29 | C15 | 0.7° | 0.3° |
N28 | C18 | N17 | C16 | 0.0° | 0.0° |
N28 | C18 | N19 | H191 | 3.1° | 0.1° |
N28 | C29 | O30 | C15 | 178.9° | 179.6° |
C29 | N28 | C18 | N17 | 0.7° | 0.1° |
N28 | C29 | C15 | C16 | 0.1° | 0.4° |
N28 | C29 | C15 | C14 | 178.7° | 179.9° |
O30 | C29 | C15 | C16 | 179.1° | 180.0° |
O30 | C29 | C15 | C14 | 0.3° | 0.3° |
O30 | C29 | N28 | H281 | 0.3° | 0.1° |
C20 | C21 | C22 | C23 | 45.6° | 89.7° |
C20 | C21 | C22 | H211 | 121.4° | 120.0° |
C20 | C21 | C22 | H212 | 121.3° | 120.0° |
C20 | C21 | C22 | C27 | 136.1° | 90.0° |
C21 | C20 | H201 | H202 | 124.0° | 120.0° |
C20 | C21 | H211 | H212 | 115.6° | 120.0° |
C21 | C20 | N19 | H191 | 94.1° | 0.0° |
C18 | N17 | C16 | C15 | 0.7° | 0.0° |
C18 | N17 | C16 | N12 | 179.3° | 179.7° |
N17 | C18 | N19 | H191 | 176.2° | 179.9° |
N17 | C18 | N28 | H281 | 179.3° | 180.0° |
C29 | C15 | C16 | N17 | 0.6° | 0.2° |
C29 | C15 | C16 | C14 | 179.1° | 179.8° |
C29 | C15 | C16 | N12 | 179.4° | 180.0° |
C29 | C15 | C14 | C13 | 179.8° | 179.9° |
C29 | C15 | C14 | H141 | 0.2° | 0.3° |
C15 | C29 | N28 | H281 | 179.3° | 179.8° |
C24 | C23 | C22 | H231 | 180.0° | 179.9° |
C24 | C23 | C22 | C21 | 179.8° | 180.0° |
C23 | C24 | C25 | H241 | 180.0° | 180.0° |
C24 | C23 | C22 | C27 | 1.5° | 0.3° |
C23 | C24 | C25 | C26 | 0.1° | 0.0° |
C23 | C24 | C25 | H251 | 179.9° | 180.0° |
C23 | C22 | C21 | C27 | 178.3° | 179.7° |
C22 | C23 | C24 | C25 | 0.8° | 0.1° |
C23 | C22 | C27 | C26 | 1.3° | 0.5° |
C23 | C22 | C21 | H211 | 167.0° | 150.3° |
C23 | C22 | C21 | H212 | 75.7° | 30.3° |
C22 | C23 | C24 | H241 | 179.2° | 179.9° |
C23 | C22 | C27 | H271 | 178.7° | 179.7° |
C21 | C22 | C27 | C26 | 179.6° | 179.8° |
C22 | C21 | C20 | H201 | 50.1° | 60.0° |
C22 | C21 | C20 | H202 | 72.7° | 60.0° |
C22 | C21 | H211 | H212 | 115.7° | 120.0° |
C21 | C22 | C23 | H231 | 0.2° | 0.1° |
C21 | C22 | C27 | H271 | 0.4° | 0.0° |
C24 | C25 | C26 | H251 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 0.3° | 0.2° |
C25 | C24 | C23 | H231 | 179.2° | 180.0° |
C24 | C25 | C26 | H261 | 179.7° | 179.9° |
C22 | C27 | C26 | C25 | 0.4° | 0.4° |
C22 | C27 | C26 | H271 | 180.0° | 179.8° |
C27 | C22 | C21 | H211 | 14.7° | 30.0° |
C27 | C22 | C21 | H212 | 102.6° | 150.0° |
C27 | C22 | C23 | H231 | 178.5° | 179.7° |
C22 | C27 | C26 | H261 | 179.6° | 179.7° |
N17 | C16 | C15 | N12 | 178.8° | 179.8° |
N17 | C16 | C15 | C14 | 179.7° | 180.0° |
N17 | C16 | N12 | C13 | 179.7° | 179.7° |
N17 | C16 | N12 | C11 | 3.4° | 0.0° |
C16 | C15 | C14 | C13 | 0.9° | 0.4° |
C15 | C16 | N12 | C13 | 1.5° | 0.1° |
C15 | C16 | N12 | C11 | 177.8° | 179.7° |
C16 | C15 | C14 | H141 | 179.1° | 180.0° |
C14 | C15 | C16 | N12 | 1.5° | 0.2° |
C15 | C14 | C13 | H141 | 180.0° | 179.6° |
C15 | C14 | C13 | N12 | 0.0° | 0.4° |
C15 | C14 | C13 | H131 | 179.9° | 179.7° |
C25 | C26 | C27 | H261 | 180.0° | 179.9° |
C26 | C25 | C24 | H241 | 179.9° | 180.0° |
C25 | C26 | C27 | H271 | 179.6° | 179.8° |
C16 | N12 | C13 | C14 | 1.0° | 0.3° |
C16 | N12 | C13 | C11 | 176.0° | 179.7° |
C16 | N12 | C11 | C02 | 71.4° | 84.7° |
C16 | N12 | C11 | H112 | 49.7° | 155.3° |
C16 | N12 | C11 | H111 | 167.6° | 35.3° |
C16 | N12 | C13 | H131 | 179.0° | 179.8° |
C27 | C26 | C25 | H251 | 179.7° | 179.8° |
C14 | C13 | N12 | H131 | 180.0° | 179.9° |
C14 | C13 | N12 | C11 | 177.0° | 180.0° |
C13 | N12 | C11 | C02 | 113.1° | 94.9° |
N12 | C13 | C14 | H141 | 180.0° | 180.0° |
C13 | N12 | C11 | H112 | 125.9° | 25.1° |
C13 | N12 | C11 | H111 | 7.9° | 145.1° |
N12 | C11 | C02 | H112 | 121.0° | 120.0° |
N12 | C11 | C02 | H111 | 121.0° | 120.0° |
N12 | C11 | C02 | O01 | 2.3° | 0.0° |
N12 | C11 | C02 | N03 | 176.1° | 180.0° |
N12 | C11 | H112 | H111 | 116.8° | 120.0° |
C11 | N12 | C13 | H131 | 3.0° | 0.1° |
C11 | C02 | O01 | N03 | 173.1° | 180.0° |
C11 | C02 | N03 | C04 | 179.1° | 175.8° |
C11 | C02 | N03 | H031 | 0.9° | 4.2° |
C02 | C11 | H112 | H111 | 116.8° | 119.9° |
O01 | C02 | N03 | C04 | 7.0° | 4.2° |
O01 | C02 | N03 | H031 | 173.0° | 175.8° |
O01 | C02 | C11 | H112 | 123.3° | 120.0° |
O01 | C02 | C11 | H111 | 118.7° | 120.0° |
C02 | N03 | C04 | H031 | 180.0° | 180.0° |
C02 | N03 | C04 | C05 | 24.5° | 34.1° |
C02 | N03 | C04 | C09 | 159.9° | 146.3° |
N03 | C02 | C11 | H112 | 62.8° | 59.9° |
N03 | C02 | C11 | H111 | 55.1° | 60.0° |
N03 | C04 | C05 | C09 | 175.6° | 179.6° |
N03 | C04 | C05 | C06 | 177.5° | 179.9° |
N03 | C04 | C09 | C08 | 177.2° | 179.8° |
N03 | C04 | C09 | CL10 | 2.6° | 0.1° |
N03 | C04 | C05 | H051 | 2.5° | 0.1° |
C04 | C05 | C06 | H051 | 180.0° | 180.0° |
C04 | C05 | C06 | N07 | 2.1° | 0.0° |
C05 | C04 | C09 | C08 | 1.4° | 0.5° |
C05 | C04 | C09 | CL10 | 178.5° | 179.7° |
C05 | C04 | N03 | H031 | 155.5° | 146.0° |
C04 | C05 | C06 | H061 | 177.9° | 180.0° |
C06 | C05 | C04 | C09 | 1.9° | 0.3° |
C05 | C06 | N07 | H061 | 180.0° | 180.0° |
C05 | C06 | N07 | C08 | 1.8° | 0.0° |
C04 | C09 | C08 | CL10 | 179.8° | 179.7° |
C04 | C09 | C08 | N07 | 1.1° | 0.5° |
C09 | C04 | N03 | H031 | 20.1° | 33.7° |
C09 | C04 | C05 | H051 | 178.1° | 179.7° |
C04 | C09 | C08 | H081 | 178.9° | 179.7° |
C06 | N07 | C08 | C09 | 1.3° | 0.3° |
N07 | C06 | C05 | H051 | 177.9° | 180.0° |
C06 | N07 | C08 | H081 | 178.7° | 180.0° |
C09 | C08 | N07 | H081 | 180.0° | 179.8° |
CL10 | C09 | C08 | N07 | 178.7° | 179.7° |
CL10 | C09 | C08 | H081 | 1.3° | 0.0° |
C08 | N07 | C06 | H061 | 178.2° | 180.0° |
H141 | C14 | C13 | H131 | 0.1° | 0.1° |
H201 | C20 | C21 | H211 | 171.4° | 60.0° |
H201 | C20 | C21 | H212 | 71.3° | 180.0° |
H201 | C20 | N19 | H191 | 24.5° | 120.0° |
H202 | C20 | C21 | H211 | 48.7° | 180.0° |
H202 | C20 | C21 | H212 | 165.9° | 60.0° |
H202 | C20 | N19 | H191 | 147.3° | 120.0° |
H231 | C23 | C24 | H241 | 0.8° | 0.0° |
H241 | C24 | C25 | H251 | 0.1° | 0.0° |
H051 | C05 | C06 | H061 | 2.1° | 0.0° |
H251 | C25 | C26 | H261 | 0.3° | 0.1° |
H261 | C26 | C27 | H271 | 0.4° | 0.1° |