FC1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C2 | sing | 1.35Å | 1.40Å | |
O6 | C11 | sing | 1.43Å | 1.43Å | |
S7 | C3 | sing | 1.77Å | 1.77Å | Aromatic |
S7 | C10 | sing | 1.79Å | 1.77Å | Aromatic |
C8 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
C8 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C9 | C4 | sing | 1.36Å | 1.42Å | Aromatic |
C9 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C5 | C2 | doub | 1.34Å | 1.36Å | Aromatic |
C5 | C10 | sing | 1.41Å | 1.49Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C1 | C2 | sing | 1.45Å | 1.50Å | Aromatic |
C1 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
C1 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C10 | O13 | doub | 1.22Å | 1.24Å | |
C17 | N16 | sing | 1.47Å | 1.48Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.12Å | |
C17 | H173 | sing | 1.09Å | 1.12Å | |
C18 | N16 | sing | 1.47Å | 1.47Å | |
C18 | H181 | sing | 1.09Å | 1.11Å | |
C18 | H182 | sing | 1.09Å | 1.12Å | |
C18 | H183 | sing | 1.09Å | 1.11Å | |
N16 | C15 | sing | 1.47Å | 1.49Å | |
C11 | C14 | sing | 1.53Å | 1.52Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C15 | H151 | sing | 1.09Å | 1.11Å | |
C15 | H152 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O6 | C11 | 122.2° | 106.8° |
O6 | C2 | C5 | 119.1° | 114.6° |
O6 | C2 | C1 | 116.4° | 114.5° |
O6 | C11 | C14 | 107.5° | 109.5° |
O6 | C11 | H111 | 113.0° | 109.4° |
O6 | C11 | H112 | 112.9° | 109.4° |
C3 | S7 | C10 | 111.3° | 112.8° |
S7 | C3 | C8 | 123.0° | 122.6° |
S7 | C3 | C1 | 116.9° | 115.6° |
S7 | C10 | C5 | 116.5° | 114.3° |
S7 | C10 | O13 | 121.7° | 122.9° |
C3 | C8 | C12 | 120.3° | 119.0° |
C3 | C8 | H8 | 119.8° | 120.4° |
C8 | C3 | C1 | 120.1° | 121.8° |
C12 | C8 | H8 | 119.8° | 120.5° |
C8 | C12 | C9 | 119.7° | 120.0° |
C8 | C12 | H12 | 120.1° | 120.0° |
C4 | C9 | C12 | 120.3° | 121.4° |
C4 | C9 | H9 | 119.8° | 119.3° |
C9 | C4 | C1 | 120.1° | 120.1° |
C9 | C4 | H4 | 120.0° | 119.9° |
C12 | C9 | H9 | 119.9° | 119.3° |
C9 | C12 | H12 | 120.1° | 120.0° |
C2 | C5 | C10 | 125.6° | 124.9° |
C2 | C5 | H5 | 117.2° | 117.6° |
C5 | C2 | C1 | 124.5° | 130.9° |
C10 | C5 | H5 | 117.2° | 117.5° |
C5 | C10 | O13 | 121.8° | 122.9° |
C2 | C1 | C3 | 125.3° | 121.6° |
C2 | C1 | C4 | 115.3° | 120.8° |
C3 | C1 | C4 | 119.4° | 117.7° |
C1 | C4 | H4 | 120.0° | 120.0° |
N16 | C17 | H171 | 108.4° | 109.4° |
N16 | C17 | H172 | 112.6° | 109.4° |
N16 | C17 | H173 | 112.6° | 109.4° |
C17 | N16 | C18 | 108.3° | 106.6° |
C17 | N16 | C15 | 112.3° | 106.7° |
H171 | C17 | H172 | 112.6° | 109.5° |
H171 | C17 | H173 | 112.7° | 109.5° |
H172 | C17 | H173 | 97.8° | 109.5° |
N16 | C18 | H181 | 108.3° | 109.4° |
N16 | C18 | H182 | 112.6° | 109.5° |
N16 | C18 | H183 | 112.6° | 109.5° |
C18 | N16 | C15 | 107.6° | 106.7° |
H181 | C18 | H182 | 112.6° | 109.5° |
H181 | C18 | H183 | 112.6° | 109.4° |
H182 | C18 | H183 | 97.8° | 109.5° |
N16 | C15 | C14 | 113.9° | 109.5° |
N16 | C15 | H151 | 110.6° | 109.5° |
N16 | C15 | H152 | 110.6° | 109.5° |
C14 | C11 | H111 | 112.9° | 109.4° |
C14 | C11 | H112 | 113.0° | 109.5° |
C11 | C14 | C15 | 111.9° | 109.5° |
C11 | C14 | H141 | 111.3° | 109.4° |
C11 | C14 | H142 | 111.3° | 109.5° |
H111 | C11 | H112 | 97.5° | 109.5° |
C15 | C14 | H141 | 111.3° | 109.5° |
C15 | C14 | H142 | 111.3° | 109.5° |
C14 | C15 | H151 | 110.6° | 109.4° |
C14 | C15 | H152 | 110.6° | 109.4° |
H141 | C14 | H142 | 99.0° | 109.4° |
H151 | C15 | H152 | 99.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C2 | C5 | C1 | 179.3° | 179.7° |
O6 | C2 | C5 | C10 | 179.6° | 179.9° |
O6 | C2 | C5 | H5 | 0.4° | 0.0° |
O6 | C2 | C1 | C3 | 179.8° | 179.8° |
O6 | C2 | C1 | C4 | 0.5° | 0.4° |
C2 | O6 | C11 | C14 | 135.1° | 174.7° |
C2 | O6 | C11 | H111 | 99.6° | 54.7° |
C2 | O6 | C11 | H112 | 9.8° | 65.3° |
C11 | O6 | C2 | C5 | 25.5° | 107.3° |
C11 | O6 | C2 | C1 | 155.1° | 72.9° |
O6 | C11 | C14 | H111 | 125.3° | 120.0° |
O6 | C11 | C14 | H112 | 125.3° | 120.0° |
O6 | C11 | H111 | H112 | 118.9° | 120.0° |
O6 | C11 | C14 | C15 | 106.7° | 180.0° |
O6 | C11 | C14 | H141 | 128.1° | 60.0° |
O6 | C11 | C14 | H142 | 18.6° | 59.9° |
S7 | C3 | C8 | C1 | 179.5° | 179.8° |
S7 | C3 | C8 | C12 | 179.6° | 180.0° |
S7 | C3 | C8 | H8 | 0.4° | 0.1° |
C3 | S7 | C10 | C5 | 0.1° | 0.1° |
S7 | C3 | C1 | C2 | 0.5° | 0.4° |
S7 | C3 | C1 | C4 | 179.8° | 179.8° |
C3 | S7 | C10 | O13 | 179.9° | 180.0° |
C10 | S7 | C3 | C8 | 179.9° | 179.9° |
S7 | C10 | C5 | C2 | 0.1° | 0.1° |
S7 | C10 | C5 | O13 | 179.9° | 179.9° |
S7 | C10 | C5 | H5 | 179.9° | 180.0° |
C10 | S7 | C3 | C1 | 0.3° | 0.1° |
C3 | C8 | C12 | H8 | 180.0° | 179.9° |
C3 | C8 | C12 | C9 | 0.0° | 0.0° |
C8 | C3 | C1 | C2 | 179.9° | 179.8° |
C8 | C3 | C1 | C4 | 0.2° | 0.4° |
C3 | C8 | C12 | H12 | 180.0° | 180.0° |
C8 | C12 | C9 | C4 | 0.2° | 0.0° |
C8 | C12 | C9 | H12 | 180.0° | 180.0° |
C8 | C12 | C9 | H9 | 179.8° | 180.0° |
C12 | C8 | C3 | C1 | 0.1° | 0.2° |
H8 | C8 | C12 | C9 | 180.0° | 179.9° |
H8 | C8 | C3 | C1 | 179.9° | 179.9° |
H8 | C8 | C12 | H12 | 0.0° | 0.0° |
C4 | C9 | C12 | H9 | 180.0° | 180.0° |
C9 | C4 | C1 | C2 | 179.9° | 179.8° |
C9 | C4 | C1 | C3 | 0.4° | 0.4° |
C9 | C4 | C1 | H4 | 180.0° | 179.7° |
C4 | C9 | C12 | H12 | 179.8° | 180.0° |
C12 | C9 | C4 | C1 | 0.3° | 0.2° |
C12 | C9 | C4 | H4 | 179.6° | 179.9° |
H9 | C9 | C4 | C1 | 179.6° | 179.8° |
H9 | C9 | C4 | H4 | 0.4° | 0.0° |
H9 | C9 | C12 | H12 | 0.2° | 0.0° |
C2 | C5 | C10 | H5 | 180.0° | 179.9° |
C5 | C2 | C1 | C3 | 0.5° | 0.5° |
C5 | C2 | C1 | C4 | 179.8° | 179.9° |
C2 | C5 | C10 | O13 | 180.0° | 180.0° |
C10 | C5 | C2 | C1 | 0.2° | 0.2° |
H5 | C5 | C2 | C1 | 179.8° | 179.7° |
H5 | C5 | C10 | O13 | 0.0° | 0.1° |
C2 | C1 | C3 | C4 | 179.7° | 179.4° |
C2 | C1 | C4 | H4 | 0.1° | 0.5° |
C3 | C1 | C4 | H4 | 179.6° | 179.9° |
N16 | C17 | H171 | H172 | 125.3° | 119.9° |
N16 | C17 | H171 | H173 | 125.3° | 120.0° |
N16 | C17 | H172 | H173 | 118.5° | 119.9° |
C17 | N16 | C18 | C15 | 121.6° | 113.7° |
C17 | N16 | C18 | H181 | 180.0° | 180.0° |
C17 | N16 | C18 | H182 | 54.7° | 60.0° |
C17 | N16 | C18 | H183 | 54.7° | 60.0° |
C17 | N16 | C15 | C14 | 60.8° | 180.0° |
C17 | N16 | C15 | H151 | 64.5° | 60.0° |
C17 | N16 | C15 | H152 | 173.9° | 60.1° |
H171 | C17 | H172 | H173 | 118.6° | 120.1° |
H171 | C17 | N16 | C18 | 180.0° | 66.2° |
H171 | C17 | N16 | C15 | 61.3° | 180.0° |
H172 | C17 | N16 | C18 | 54.7° | 173.8° |
H172 | C17 | N16 | C15 | 173.4° | 60.0° |
H173 | C17 | N16 | C18 | 54.7° | 53.8° |
H173 | C17 | N16 | C15 | 64.0° | 59.9° |
N16 | C18 | H181 | H182 | 125.3° | 120.0° |
N16 | C18 | H181 | H183 | 125.3° | 120.0° |
N16 | C18 | H182 | H183 | 118.6° | 120.1° |
C18 | N16 | C15 | C14 | 179.9° | 66.3° |
C18 | N16 | C15 | H151 | 54.6° | 53.7° |
C18 | N16 | C15 | H152 | 54.8° | 173.8° |
H181 | C18 | H182 | H183 | 118.6° | 120.0° |
H181 | C18 | N16 | C15 | 58.4° | 66.2° |
H182 | C18 | N16 | C15 | 66.9° | 173.8° |
H183 | C18 | N16 | C15 | 176.3° | 53.7° |
N16 | C15 | C14 | C11 | 50.8° | 180.0° |
N16 | C15 | C14 | H151 | 125.3° | 120.0° |
N16 | C15 | C14 | H152 | 125.3° | 120.0° |
N16 | C15 | C14 | H141 | 176.1° | 60.0° |
N16 | C15 | C14 | H142 | 74.5° | 60.0° |
N16 | C15 | H151 | H152 | 116.4° | 120.1° |
C14 | C11 | H111 | H112 | 118.9° | 120.0° |
C11 | C14 | C15 | H141 | 125.3° | 120.0° |
C11 | C14 | C15 | H142 | 125.3° | 120.1° |
C11 | C14 | H141 | H142 | 117.2° | 120.0° |
C11 | C14 | C15 | H151 | 176.1° | 60.0° |
C11 | C14 | C15 | H152 | 74.5° | 60.0° |
H111 | C11 | C14 | C15 | 18.6° | 60.0° |
H111 | C11 | C14 | H141 | 106.7° | 180.0° |
H111 | C11 | C14 | H142 | 143.9° | 60.0° |
H112 | C11 | C14 | C15 | 128.1° | 60.0° |
H112 | C11 | C14 | H141 | 2.8° | 60.0° |
H112 | C11 | C14 | H142 | 106.7° | 179.9° |
C15 | C14 | H141 | H142 | 117.2° | 120.0° |
C14 | C15 | H151 | H152 | 116.5° | 119.9° |
H141 | C14 | C15 | H151 | 58.7° | 180.0° |
H141 | C14 | C15 | H152 | 50.8° | 60.0° |
H142 | C14 | C15 | H151 | 50.8° | 60.1° |
H142 | C14 | C15 | H152 | 160.3° | 179.9° |