FPZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
C06 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | P07 | sing | 1.81Å | 1.85Å | |
C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
P07 | C14 | sing | 1.81Å | 1.84Å | |
P07 | C08 | sing | 1.81Å | 1.88Å | |
C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C02 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
C08 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.08Å | 1.08Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C11 | H111 | sing | 1.08Å | 1.08Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C16 | H161 | sing | 1.08Å | 1.08Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
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) |
C05 | C06 | C01 | 120.7° | 120.1° |
C06 | C05 | C04 | 123.0° | 119.9° |
C06 | C05 | H051 | 118.5° | 120.0° |
C05 | C06 | H061 | 119.7° | 120.0° |
C06 | C01 | C02 | 116.9° | 120.2° |
C06 | C01 | H011 | 121.6° | 119.9° |
C01 | C06 | H061 | 119.6° | 119.9° |
C05 | C04 | P07 | 124.0° | 120.1° |
C05 | C04 | C03 | 115.4° | 119.7° |
C04 | C05 | H051 | 118.5° | 120.1° |
C16 | C15 | C14 | 122.0° | 119.9° |
C15 | C16 | C17 | 120.5° | 120.1° |
C16 | C15 | H151 | 119.0° | 120.0° |
C15 | C16 | H161 | 119.8° | 119.9° |
C15 | C14 | P07 | 123.8° | 120.1° |
C15 | C14 | C19 | 116.5° | 119.8° |
C14 | C15 | H151 | 119.0° | 120.1° |
C16 | C17 | C18 | 118.4° | 120.2° |
C17 | C16 | H161 | 119.7° | 120.0° |
C16 | C17 | H171 | 120.8° | 119.9° |
C01 | C02 | C03 | 121.4° | 120.1° |
C02 | C01 | H011 | 121.5° | 119.9° |
C01 | C02 | H021 | 119.3° | 120.0° |
P07 | C04 | C03 | 120.6° | 120.1° |
C04 | P07 | C14 | 107.8° | 102.0° |
C04 | P07 | C08 | 108.9° | 102.0° |
C04 | C03 | C02 | 122.6° | 119.9° |
C04 | C03 | H031 | 118.7° | 120.1° |
C14 | P07 | C08 | 107.9° | 102.0° |
P07 | C14 | C19 | 119.6° | 120.1° |
P07 | C08 | C09 | 123.8° | 120.1° |
P07 | C08 | C13 | 121.4° | 120.1° |
C14 | C19 | C18 | 122.4° | 119.9° |
C14 | C19 | H191 | 118.8° | 120.1° |
C17 | C18 | C19 | 120.2° | 120.1° |
C18 | C17 | H171 | 120.8° | 119.9° |
C17 | C18 | H181 | 119.9° | 119.9° |
C03 | C02 | H021 | 119.3° | 119.9° |
C02 | C03 | H031 | 118.7° | 120.1° |
C19 | C18 | H181 | 119.9° | 119.9° |
C18 | C19 | H191 | 118.8° | 120.0° |
C09 | C08 | C13 | 114.8° | 119.8° |
C08 | C09 | C10 | 123.4° | 119.9° |
C08 | C09 | H091 | 118.3° | 120.1° |
C08 | C13 | C12 | 122.8° | 119.9° |
C08 | C13 | H131 | 118.6° | 120.0° |
C09 | C10 | C11 | 120.3° | 120.1° |
C09 | C10 | H101 | 119.8° | 119.9° |
C10 | C09 | H091 | 118.3° | 120.1° |
C13 | C12 | C11 | 121.1° | 120.1° |
C13 | C12 | H121 | 119.4° | 119.9° |
C12 | C13 | H131 | 118.6° | 120.1° |
C10 | C11 | C12 | 117.5° | 120.2° |
C11 | C10 | H101 | 119.8° | 120.0° |
C10 | C11 | H111 | 121.3° | 119.9° |
C12 | C11 | H111 | 121.2° | 119.9° |
C11 | C12 | H121 | 119.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | C06 | C01 | H061 | 180.0° | 179.5° |
C06 | C05 | C04 | H051 | 180.0° | 179.7° |
C05 | C06 | C01 | C02 | 0.5° | 0.5° |
C06 | C05 | C04 | P07 | 179.5° | 179.8° |
C06 | C05 | C04 | C03 | 0.6° | 0.3° |
C05 | C06 | C01 | H011 | 179.5° | 179.7° |
C01 | C06 | C05 | C04 | 0.5° | 0.5° |
C06 | C01 | C02 | H011 | 180.0° | 179.8° |
C06 | C01 | C02 | C03 | 0.6° | 0.3° |
C06 | C01 | C02 | H021 | 179.5° | 179.7° |
C01 | C06 | C05 | H051 | 179.5° | 179.7° |
C05 | C04 | P07 | C03 | 179.9° | 179.9° |
C05 | C04 | P07 | C14 | 114.2° | 158.7° |
C05 | C04 | P07 | C08 | 128.9° | 96.1° |
C05 | C04 | C03 | C02 | 0.7° | 0.0° |
C05 | C04 | C03 | H031 | 179.3° | 180.0° |
C04 | C05 | C06 | H061 | 179.5° | 180.0° |
C16 | C15 | C14 | H151 | 180.0° | 180.0° |
C15 | C16 | C17 | H161 | 180.0° | 179.9° |
C16 | C15 | C14 | P07 | 179.8° | 179.7° |
C16 | C15 | C14 | C19 | 0.8° | 0.0° |
C15 | C16 | C17 | C18 | 0.1° | 0.0° |
C15 | C16 | C17 | H171 | 179.9° | 180.0° |
C14 | C15 | C16 | C17 | 0.6° | 0.0° |
C15 | C14 | P07 | C04 | 115.5° | 98.7° |
C15 | C14 | P07 | C19 | 179.0° | 179.7° |
C15 | C14 | P07 | C08 | 127.0° | 6.6° |
C15 | C14 | C19 | C18 | 0.4° | 0.0° |
C14 | C15 | C16 | H161 | 179.3° | 179.9° |
C15 | C14 | C19 | H191 | 179.6° | 179.9° |
C16 | C17 | C18 | H171 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.2° | 0.0° |
C17 | C16 | C15 | H151 | 179.3° | 179.9° |
C16 | C17 | C18 | H181 | 179.8° | 180.0° |
C01 | C02 | C03 | C04 | 0.7° | 0.0° |
C01 | C02 | C03 | H021 | 180.0° | 180.0° |
C01 | C02 | C03 | H031 | 179.3° | 180.0° |
C02 | C01 | C06 | H061 | 179.5° | 180.0° |
C04 | P07 | C14 | C08 | 117.5° | 105.2° |
C04 | P07 | C14 | C19 | 65.5° | 81.1° |
P07 | C04 | C03 | C02 | 179.4° | 179.9° |
C04 | P07 | C08 | C09 | 158.8° | 180.0° |
C04 | P07 | C08 | C13 | 20.0° | 0.5° |
P07 | C04 | C03 | H031 | 0.6° | 0.0° |
P07 | C04 | C05 | H051 | 0.5° | 0.0° |
C03 | C04 | P07 | C14 | 65.7° | 21.4° |
C03 | C04 | P07 | C08 | 51.2° | 83.8° |
C04 | C03 | C02 | H031 | 180.0° | 180.0° |
C04 | C03 | C02 | H021 | 179.3° | 180.0° |
C03 | C04 | C05 | H051 | 179.4° | 180.0° |
P07 | C14 | C19 | C18 | 179.5° | 179.7° |
C14 | P07 | C08 | C09 | 42.0° | 74.8° |
C14 | P07 | C08 | C13 | 136.8° | 105.7° |
P07 | C14 | C15 | H151 | 0.1° | 0.3° |
P07 | C14 | C19 | H191 | 0.5° | 0.2° |
C08 | P07 | C14 | C19 | 52.0° | 173.7° |
P07 | C08 | C09 | C13 | 178.9° | 179.5° |
P07 | C08 | C09 | C10 | 179.5° | 180.0° |
P07 | C08 | C13 | C12 | 179.6° | 179.8° |
P07 | C08 | C09 | H091 | 0.5° | 0.0° |
P07 | C08 | C13 | H131 | 0.4° | 0.5° |
C14 | C19 | C18 | C17 | 0.0° | 0.0° |
C14 | C19 | C18 | H191 | 180.0° | 179.9° |
C19 | C14 | C15 | H151 | 179.2° | 180.0° |
C14 | C19 | C18 | H181 | 180.0° | 180.0° |
C17 | C18 | C19 | H181 | 180.0° | 180.0° |
C18 | C17 | C16 | H161 | 179.9° | 179.9° |
C17 | C18 | C19 | H191 | 179.9° | 179.9° |
C03 | C02 | C01 | H011 | 179.5° | 180.0° |
C19 | C18 | C17 | H171 | 179.8° | 180.0° |
C08 | C09 | C10 | H091 | 180.0° | 179.9° |
C09 | C08 | C13 | C12 | 0.7° | 0.8° |
C08 | C09 | C10 | C11 | 0.3° | 0.0° |
C08 | C09 | C10 | H101 | 179.7° | 179.7° |
C09 | C08 | C13 | H131 | 179.3° | 180.0° |
C13 | C08 | C09 | C10 | 0.6° | 0.5° |
C08 | C13 | C12 | H131 | 180.0° | 179.2° |
C08 | C13 | C12 | C11 | 0.4° | 0.5° |
C13 | C08 | C09 | H091 | 179.4° | 179.4° |
C08 | C13 | C12 | H121 | 179.6° | 179.5° |
C09 | C10 | C11 | H101 | 180.0° | 179.8° |
C09 | C10 | C11 | C12 | 0.0° | 0.2° |
C09 | C10 | C11 | H111 | 180.0° | 179.7° |
C13 | C12 | C11 | C10 | 0.1° | 0.1° |
C13 | C12 | C11 | H121 | 180.0° | 180.0° |
C13 | C12 | C11 | H111 | 179.9° | 180.0° |
C10 | C11 | C12 | H111 | 180.0° | 179.9° |
C11 | C10 | C09 | H091 | 179.7° | 179.9° |
C10 | C11 | C12 | H121 | 179.9° | 179.9° |
C12 | C11 | C10 | H101 | 179.9° | 180.0° |
C11 | C12 | C13 | H131 | 179.5° | 179.8° |
H101 | C10 | C09 | H091 | 0.4° | 0.3° |
H101 | C10 | C11 | H111 | 0.1° | 0.1° |
H011 | C01 | C02 | H021 | 0.5° | 0.0° |
H011 | C01 | C06 | H061 | 0.5° | 0.2° |
H021 | C02 | C03 | H031 | 0.7° | 0.0° |
H051 | C05 | C06 | H061 | 0.5° | 0.2° |
H111 | C11 | C12 | H121 | 0.1° | 0.0° |
H121 | C12 | C13 | H131 | 0.4° | 0.2° |
H151 | C15 | C16 | H161 | 0.7° | 0.1° |
H161 | C16 | C17 | H171 | 0.1° | 0.1° |
H171 | C17 | C18 | H181 | 0.2° | 0.0° |
H181 | C18 | C19 | H191 | 0.0° | 0.0° |