0DQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
C36 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
N28 | N29 | doub | 1.28Å | 1.28Å | Aromatic |
N28 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
N29 | S30 | sing | 1.70Å | 1.71Å | Aromatic |
C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
C31 | C27 | sing | 1.48Å | 1.48Å | |
C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
S30 | C26 | sing | 1.72Å | 1.72Å | Aromatic |
C26 | N25 | sing | 1.39Å | 1.38Å | |
N25 | H25 | sing | 0.97Å | 1.00Å | |
C32 | H26 | sing | 1.08Å | 1.08Å | |
C33 | H27 | sing | 1.08Å | 1.08Å | |
C34 | H28 | sing | 1.08Å | 1.08Å | |
C35 | H29 | sing | 1.08Å | 1.08Å | |
C36 | H30 | sing | 1.08Å | 1.08Å | |
N25 | H2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C36 | C35 | C34 | 119.4° | 120.1° |
C35 | C36 | C31 | 120.2° | 119.9° |
C36 | C35 | H29 | 120.3° | 119.9° |
C35 | C36 | H30 | 119.9° | 120.1° |
C35 | C34 | C33 | 120.6° | 120.2° |
C35 | C34 | H28 | 119.7° | 119.8° |
C34 | C35 | H29 | 120.3° | 119.9° |
C36 | C31 | C27 | 118.6° | 120.2° |
C36 | C31 | C32 | 120.2° | 119.7° |
C31 | C36 | H30 | 119.9° | 120.0° |
N29 | N28 | C27 | 118.2° | 118.8° |
N28 | N29 | S30 | 108.0° | 107.1° |
N28 | C27 | C31 | 120.4° | 122.6° |
N28 | C27 | C26 | 114.1° | 114.8° |
N29 | S30 | C26 | 94.1° | 94.9° |
C34 | C33 | C32 | 120.6° | 120.2° |
C34 | C33 | H27 | 119.7° | 119.9° |
C33 | C34 | H28 | 119.7° | 119.9° |
C27 | C31 | C32 | 121.3° | 120.1° |
C31 | C27 | C26 | 125.5° | 122.6° |
C31 | C32 | C33 | 119.1° | 119.9° |
C31 | C32 | H26 | 120.4° | 120.1° |
C27 | C26 | S30 | 105.7° | 104.3° |
C27 | C26 | N25 | 134.5° | 127.9° |
C33 | C32 | H26 | 120.5° | 120.1° |
C32 | C33 | H27 | 119.7° | 119.9° |
S30 | C26 | N25 | 119.6° | 127.8° |
C26 | N25 | H25 | 109.5° | 120.0° |
C26 | N25 | H2 | 109.5° | 120.0° |
H25 | N25 | H2 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C36 | C35 | C34 | H29 | 180.0° | 179.4° |
C35 | C36 | C31 | H30 | 180.0° | 179.4° |
C36 | C35 | C34 | C33 | 0.6° | 0.3° |
C35 | C36 | C31 | C27 | 179.7° | 179.7° |
C35 | C36 | C31 | C32 | 1.1° | 0.6° |
C36 | C35 | C34 | H28 | 179.4° | 179.7° |
C34 | C35 | C36 | C31 | 1.0° | 0.6° |
C35 | C34 | C33 | H28 | 180.0° | 180.0° |
C35 | C34 | C33 | C32 | 0.3° | 0.1° |
C35 | C34 | C33 | H27 | 179.8° | 180.0° |
C34 | C35 | C36 | H30 | 179.0° | 180.0° |
C36 | C31 | C27 | N28 | 45.2° | 144.7° |
C36 | C31 | C27 | C32 | 178.6° | 179.7° |
C36 | C31 | C27 | C26 | 136.1° | 35.3° |
C36 | C31 | C32 | C33 | 0.7° | 0.3° |
C36 | C31 | C32 | H26 | 179.3° | 179.7° |
C31 | C36 | C35 | H29 | 179.0° | 180.0° |
N29 | N28 | C27 | C31 | 179.9° | 180.0° |
N29 | N28 | C27 | C26 | 1.3° | 0.0° |
N28 | N29 | S30 | C26 | 1.2° | 0.3° |
C27 | N28 | N29 | S30 | 0.2° | 0.3° |
N28 | C27 | C31 | C26 | 178.7° | 180.0° |
N28 | C27 | C31 | C32 | 133.3° | 35.0° |
N28 | C27 | C26 | S30 | 2.1° | 0.2° |
N28 | C27 | C26 | N25 | 176.4° | 179.9° |
N29 | S30 | C26 | C27 | 1.8° | 0.3° |
N29 | S30 | C26 | N25 | 177.2° | 180.0° |
C34 | C33 | C32 | C31 | 0.3° | 0.1° |
C34 | C33 | C32 | H27 | 180.0° | 179.9° |
C34 | C33 | C32 | H26 | 179.7° | 179.9° |
C33 | C34 | C35 | H29 | 179.4° | 179.7° |
C27 | C31 | C32 | C33 | 179.3° | 179.9° |
C31 | C27 | C26 | S30 | 179.2° | 179.7° |
C31 | C27 | C26 | N25 | 4.8° | 0.0° |
C27 | C31 | C32 | H26 | 0.7° | 0.0° |
C27 | C31 | C36 | H30 | 0.3° | 0.3° |
C32 | C31 | C27 | C26 | 45.3° | 145.0° |
C31 | C32 | C33 | H26 | 180.0° | 180.0° |
C31 | C32 | C33 | H27 | 179.7° | 180.0° |
C32 | C31 | C36 | H30 | 178.9° | 180.0° |
C27 | C26 | S30 | N25 | 175.4° | 179.7° |
C27 | C26 | N25 | H25 | 173.8° | 0.0° |
C27 | C26 | N25 | H2 | 53.8° | 179.7° |
C32 | C33 | C34 | H28 | 179.7° | 180.0° |
S30 | C26 | N25 | H25 | 0.0° | 179.6° |
S30 | C26 | N25 | H2 | 120.0° | 0.7° |
C26 | N25 | H25 | H2 | 120.0° | 179.7° |
H26 | C32 | C33 | H27 | 0.3° | 0.1° |
H27 | C33 | C34 | H28 | 0.3° | 0.1° |
H28 | C34 | C35 | H29 | 0.6° | 0.3° |
H29 | C35 | C36 | H30 | 1.0° | 0.6° |