8ZR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C11 | doub | 0.00Å | 1.35Å | Aromatic |
C10 | C9 | sing | 0.00Å | 1.39Å | Aromatic |
C11 | C12 | sing | 0.00Å | 1.35Å | Aromatic |
C12 | C13 | doub | 0.00Å | 1.39Å | Aromatic |
C13 | C14 | sing | 0.00Å | 1.54Å | |
C13 | N15 | sing | 0.00Å | 1.37Å | Aromatic |
C2 | N1 | sing | 0.00Å | 1.47Å | |
C3 | N1 | sing | 0.00Å | 1.47Å | |
C4 | N1 | sing | 0.00Å | 1.47Å | |
C4 | N6 | sing | 0.00Å | 1.26Å | |
C4 | S5 | doub | 0.00Å | 1.65Å | |
C8 | C9 | sing | 0.00Å | 1.40Å | |
C8 | N7 | doub | 0.00Å | 1.34Å | |
C9 | N15 | doub | 0.00Å | 1.36Å | Aromatic |
N15 | CU1 | sing | 0.00Å | 1.97Å | |
N6 | N7 | sing | 0.00Å | 1.39Å | |
N7 | CU1 | sing | 0.00Å | 2.07Å | |
S5 | CU1 | sing | 0.00Å | 1.99Å | |
C10 | H10 | sing | 0.00Å | 1.08Å | |
C11 | H11 | sing | 0.00Å | 1.08Å | |
C12 | H12 | sing | 0.00Å | 1.08Å | |
C14 | H13 | sing | 0.00Å | 1.10Å | |
C14 | H14 | sing | 0.00Å | 1.10Å | |
C14 | H15 | sing | 0.00Å | 1.10Å | |
C2 | H22 | sing | 0.00Å | 1.10Å | |
C2 | H23 | sing | 0.00Å | 1.10Å | |
C2 | H21 | sing | 0.00Å | 1.10Å | |
C3 | H32 | sing | 0.00Å | 1.10Å | |
C3 | H31 | sing | 0.00Å | 1.10Å | |
C3 | H30 | sing | 0.00Å | 1.10Å | |
C8 | H2 | sing | 0.00Å | 1.08Å | |
N6 | H3 | sing | 0.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | C9 | 120.1° | 90.0° |
C10 | C11 | C12 | 120.1° | 90.0° |
C11 | C10 | H10 | 119.9° | 90.0° |
C10 | C11 | H11 | 120.0° | 90.0° |
C10 | C9 | C8 | 116.4° | 90.0° |
C10 | C9 | N15 | 120.5° | 90.0° |
C9 | C10 | H10 | 119.9° | 90.0° |
C11 | C12 | C13 | 120.1° | 90.0° |
C12 | C11 | H11 | 120.0° | 90.0° |
C11 | C12 | H12 | 119.9° | 90.0° |
C12 | C13 | C14 | 119.5° | 90.0° |
C12 | C13 | N15 | 120.1° | 90.0° |
C13 | C12 | H12 | 119.9° | 90.0° |
C14 | C13 | N15 | 120.4° | 90.0° |
C13 | C14 | H13 | 109.5° | 90.0° |
C13 | C14 | H14 | 109.4° | 90.0° |
C13 | C14 | H15 | 109.5° | 90.0° |
C13 | N15 | C9 | 119.0° | 90.0° |
C13 | N15 | CU1 | 129.5° | 90.0° |
C2 | N1 | C3 | 119.8° | 90.0° |
C2 | N1 | C4 | 120.1° | 90.0° |
N1 | C2 | H22 | 109.5° | 90.0° |
N1 | C2 | H23 | 109.5° | 90.0° |
N1 | C2 | H21 | 109.4° | 90.0° |
C3 | N1 | C4 | 120.0° | 90.0° |
N1 | C3 | H32 | 109.5° | 90.0° |
N1 | C3 | H31 | 109.5° | 90.0° |
N1 | C3 | H30 | 109.5° | 90.0° |
N1 | C4 | N6 | 126.8° | 90.0° |
N1 | C4 | S5 | 126.0° | 90.0° |
N6 | C4 | S5 | 107.2° | 90.0° |
C4 | N6 | N7 | 122.0° | 90.0° |
C4 | N6 | H3 | 119.0° | 90.0° |
C4 | S5 | CU1 | 116.6° | 90.0° |
C9 | C8 | N7 | 109.5° | 90.0° |
C8 | C9 | N15 | 123.0° | 90.0° |
C9 | C8 | H2 | 125.2° | 90.0° |
C8 | N7 | N6 | 126.3° | 90.0° |
C8 | N7 | CU1 | 116.2° | 90.0° |
N7 | C8 | H2 | 125.2° | 90.0° |
C9 | N15 | CU1 | 111.5° | 90.0° |
N15 | CU1 | N7 | 79.7° | 90.0° |
N15 | CU1 | S5 | 156.5° | 90.0° |
N6 | N7 | CU1 | 117.5° | 90.0° |
N7 | N6 | H3 | 119.0° | 90.0° |
N7 | CU1 | S5 | 76.8° | 90.0° |
H13 | C14 | H14 | 109.5° | 90.0° |
H13 | C14 | H15 | 109.5° | 90.0° |
H14 | C14 | H15 | 109.5° | 90.0° |
H22 | C2 | H23 | 109.4° | 90.0° |
H22 | C2 | H21 | 109.5° | 90.0° |
H23 | C2 | H21 | 109.5° | 90.0° |
H32 | C3 | H31 | 109.5° | 90.0° |
H32 | C3 | H30 | 109.4° | 90.0° |
H31 | C3 | H30 | 109.4° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | C9 | H10 | 180.0° | 90.0° |
C10 | C11 | C12 | H11 | 180.0° | 90.0° |
C10 | C11 | C12 | C13 | 0.0° | 90.0° |
C11 | C10 | C9 | C8 | 179.9° | 90.0° |
C11 | C10 | C9 | N15 | 0.0° | 90.0° |
C10 | C11 | C12 | H12 | 180.0° | 90.0° |
C9 | C10 | C11 | C12 | 0.0° | 90.0° |
C10 | C9 | N15 | C13 | 0.1° | 90.0° |
C10 | C9 | C8 | N15 | 179.9° | 90.0° |
C10 | C9 | C8 | N7 | 179.9° | 90.0° |
C10 | C9 | N15 | CU1 | 179.9° | 90.0° |
C9 | C10 | C11 | H11 | 180.0° | 90.0° |
C10 | C9 | C8 | H2 | 0.1° | 90.0° |
C11 | C12 | C13 | H12 | 180.0° | 90.0° |
C11 | C12 | C13 | C14 | 179.8° | 90.0° |
C11 | C12 | C13 | N15 | 0.0° | 90.0° |
C12 | C11 | C10 | H10 | 180.0° | 90.0° |
C12 | C13 | C14 | N15 | 179.8° | 90.0° |
C12 | C13 | N15 | C9 | 0.1° | 90.0° |
C12 | C13 | N15 | CU1 | 179.9° | 90.0° |
C13 | C12 | C11 | H11 | 180.0° | 90.0° |
C12 | C13 | C14 | H13 | 180.0° | 90.0° |
C12 | C13 | C14 | H14 | 60.0° | 90.0° |
C12 | C13 | C14 | H15 | 60.0° | 90.0° |
C14 | C13 | N15 | C9 | 179.7° | 90.0° |
C14 | C13 | N15 | CU1 | 0.1° | 90.0° |
C14 | C13 | C12 | H12 | 0.2° | 90.0° |
C13 | C14 | H13 | H14 | 120.0° | 90.0° |
C13 | C14 | H13 | H15 | 120.0° | 90.0° |
C13 | C14 | H14 | H15 | 120.0° | 90.0° |
C13 | N15 | C9 | C8 | 180.0° | 90.0° |
C13 | N15 | C9 | CU1 | 179.8° | 90.0° |
C13 | N15 | CU1 | N7 | 180.0° | 90.0° |
C13 | N15 | CU1 | S5 | 179.1° | 90.0° |
N15 | C13 | C12 | H12 | 180.0° | 90.0° |
N15 | C13 | C14 | H13 | 0.2° | 90.0° |
N15 | C13 | C14 | H14 | 119.9° | 90.0° |
N15 | C13 | C14 | H15 | 120.2° | 90.0° |
C2 | N1 | C3 | C4 | 178.7° | 90.0° |
C2 | N1 | C4 | N6 | 23.5° | 90.0° |
C2 | N1 | C4 | S5 | 156.0° | 90.0° |
N1 | C2 | H22 | H23 | 120.0° | 90.0° |
N1 | C2 | H22 | H21 | 120.0° | 90.0° |
N1 | C2 | H23 | H21 | 120.0° | 90.0° |
C2 | N1 | C3 | H32 | 180.0° | 90.0° |
C2 | N1 | C3 | H31 | 60.0° | 90.0° |
C2 | N1 | C3 | H30 | 60.0° | 90.0° |
C3 | N1 | C4 | N6 | 157.8° | 90.0° |
C3 | N1 | C4 | S5 | 22.7° | 90.0° |
C3 | N1 | C2 | H22 | 180.0° | 90.0° |
C3 | N1 | C2 | H23 | 60.0° | 90.0° |
C3 | N1 | C2 | H21 | 60.0° | 90.0° |
N1 | C3 | H32 | H31 | 120.0° | 90.0° |
N1 | C3 | H32 | H30 | 120.0° | 90.0° |
N1 | C3 | H31 | H30 | 120.0° | 90.0° |
N1 | C4 | N6 | S5 | 179.6° | 90.0° |
N1 | C4 | N6 | N7 | 179.6° | 90.0° |
N1 | C4 | S5 | CU1 | 179.4° | 90.0° |
C4 | N1 | C2 | H22 | 1.3° | 90.0° |
C4 | N1 | C2 | H23 | 118.8° | 90.0° |
C4 | N1 | C2 | H21 | 121.3° | 90.0° |
C4 | N1 | C3 | H32 | 1.2° | 90.0° |
C4 | N1 | C3 | H31 | 121.3° | 90.0° |
C4 | N1 | C3 | H30 | 118.8° | 90.0° |
N1 | C4 | N6 | H3 | 0.4° | 90.0° |
C4 | N6 | N7 | C8 | 179.8° | 90.0° |
C4 | N6 | N7 | H3 | 180.0° | 90.0° |
C4 | N6 | N7 | CU1 | 0.3° | 90.0° |
N6 | C4 | S5 | CU1 | 0.2° | 90.0° |
C4 | S5 | CU1 | N15 | 1.2° | 90.0° |
S5 | C4 | N6 | N7 | 0.1° | 90.0° |
C4 | S5 | CU1 | N7 | 0.3° | 90.0° |
S5 | C4 | N6 | H3 | 179.9° | 90.0° |
C9 | C8 | N7 | H2 | 180.0° | 90.0° |
C8 | C9 | N15 | CU1 | 0.2° | 90.0° |
C9 | C8 | N7 | N6 | 180.0° | 90.0° |
C9 | C8 | N7 | CU1 | 0.1° | 90.0° |
C8 | C9 | C10 | H10 | 0.1° | 90.0° |
N7 | C8 | C9 | N15 | 0.0° | 90.0° |
C8 | N7 | CU1 | N15 | 0.2° | 90.0° |
C8 | N7 | N6 | CU1 | 179.9° | 90.0° |
C8 | N7 | CU1 | S5 | 179.8° | 90.0° |
C8 | N7 | N6 | H3 | 0.2° | 90.0° |
C9 | N15 | CU1 | N7 | 0.2° | 90.0° |
C9 | N15 | CU1 | S5 | 1.1° | 90.0° |
N15 | C9 | C10 | H10 | 180.0° | 90.0° |
N15 | C9 | C8 | H2 | 180.0° | 90.0° |
N15 | CU1 | N7 | N6 | 179.9° | 90.0° |
N15 | CU1 | N7 | S5 | 179.6° | 90.0° |
N6 | N7 | CU1 | S5 | 0.3° | 90.0° |
N6 | N7 | C8 | H2 | 0.0° | 90.0° |
CU1 | N7 | C8 | H2 | 179.9° | 90.0° |
CU1 | N7 | N6 | H3 | 179.7° | 90.0° |
H10 | C10 | C11 | H11 | 0.0° | 90.0° |
H11 | C11 | C12 | H12 | 0.0° | 90.0° |
H13 | C14 | H14 | H15 | 120.0° | 90.0° |
H22 | C2 | H23 | H21 | 120.0° | 90.0° |
H32 | C3 | H31 | H30 | 119.9° | 90.0° |