BT3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.39Å | 1.52Å | Aromatic |
C1 | C6 | sing | 1.39Å | 1.50Å | Aromatic |
C1 | O1 | sing | 1.36Å | 1.38Å | |
C2 | C3 | sing | 1.38Å | 1.48Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | doub | 1.41Å | 1.50Å | Aromatic |
C3 | S1 | sing | 1.77Å | 1.70Å | Aromatic |
C4 | C5 | sing | 1.42Å | 1.46Å | Aromatic |
C4 | C9 | sing | 1.45Å | 1.43Å | Aromatic |
C5 | C6 | doub | 1.36Å | 1.51Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
S1 | C8 | sing | 1.78Å | 1.70Å | Aromatic |
C8 | C9 | doub | 1.35Å | 1.44Å | Aromatic |
C8 | C10 | sing | 1.48Å | 1.48Å | Aromatic |
C9 | C7 | sing | 1.51Å | 1.55Å | |
C7 | C13 | sing | 1.51Å | 1.58Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C10 | C12 | doub | 1.40Å | 1.48Å | Aromatic |
C10 | C20 | sing | 1.39Å | 1.48Å | Aromatic |
C12 | C14 | sing | 1.38Å | 1.50Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C14 | C16 | doub | 1.39Å | 1.53Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.10Å | |
C16 | N1 | sing | 1.32Å | 1.42Å | Aromatic |
C16 | O2 | sing | 1.36Å | 1.33Å | |
N1 | C20 | doub | 1.32Å | 1.41Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.10Å | |
O2 | C24 | sing | 1.43Å | 1.50Å | |
C24 | C34 | sing | 1.53Å | 1.54Å | |
C24 | H241 | sing | 1.09Å | 1.12Å | |
C24 | H242 | sing | 1.09Å | 1.11Å | |
C11 | C13 | doub | 1.38Å | 1.52Å | Aromatic |
C11 | C21 | sing | 1.38Å | 1.48Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C13 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
C15 | C32 | doub | 1.38Å | 1.52Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.10Å | |
C32 | C19 | sing | 1.39Å | 1.51Å | Aromatic |
C32 | H32 | sing | 1.08Å | 1.10Å | |
C19 | C21 | doub | 1.39Å | 1.47Å | Aromatic |
C19 | O3 | sing | 1.36Å | 1.38Å | |
C21 | H21 | sing | 1.08Å | 1.10Å | |
O3 | C25 | sing | 1.43Å | 1.45Å | |
C25 | C33 | sing | 1.53Å | 1.53Å | |
C25 | H251 | sing | 1.09Å | 1.11Å | |
C25 | H252 | sing | 1.09Å | 1.12Å | |
C17 | C23 | sing | 1.55Å | 1.50Å | |
C17 | C27 | sing | 1.55Å | 1.51Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.12Å | |
C23 | C26 | sing | 1.54Å | 1.53Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.11Å | |
C26 | N2 | sing | 1.47Å | 1.50Å | |
C26 | H261 | sing | 1.09Å | 1.11Å | |
C26 | H262 | sing | 1.09Å | 1.11Å | |
N2 | C27 | sing | 1.48Å | 1.50Å | |
N2 | C33 | sing | 1.47Å | 1.49Å | |
C27 | H271 | sing | 1.09Å | 1.11Å | |
C27 | H272 | sing | 1.09Å | 1.12Å | |
C22 | N3 | sing | 1.47Å | 1.52Å | |
C22 | C30 | sing | 1.54Å | 1.52Å | |
C22 | H221 | sing | 1.09Å | 1.12Å | |
C22 | H222 | sing | 1.09Å | 1.12Å | |
N3 | C28 | sing | 1.48Å | 1.53Å | |
N3 | C34 | sing | 1.47Å | 1.51Å | |
C28 | C29 | sing | 1.55Å | 1.53Å | |
C28 | H281 | sing | 1.09Å | 1.11Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
C29 | C30 | sing | 1.55Å | 1.53Å | |
C29 | H291 | sing | 1.09Å | 1.12Å | |
C29 | H292 | sing | 1.09Å | 1.12Å | |
C30 | H301 | sing | 1.09Å | 1.12Å | |
C30 | H302 | sing | 1.09Å | 1.12Å | |
C33 | H331 | sing | 1.09Å | 1.12Å | |
C33 | H332 | sing | 1.09Å | 1.11Å | |
C34 | H341 | sing | 1.09Å | 1.11Å | |
C34 | H342 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 119.7° | 119.4° |
C2 | C1 | O1 | 120.3° | 120.3° |
C1 | C2 | C3 | 119.0° | 119.5° |
C1 | C2 | H2 | 121.8° | 120.3° |
C6 | C1 | O1 | 119.5° | 120.3° |
C1 | C6 | C5 | 119.4° | 121.5° |
C1 | C6 | H6 | 119.7° | 119.2° |
C1 | O1 | HO1 | 120.3° | 106.8° |
C3 | C2 | H2 | 119.2° | 120.3° |
C2 | C3 | C4 | 121.1° | 122.1° |
C2 | C3 | S1 | 129.9° | 134.1° |
C4 | C3 | S1 | 108.9° | 103.8° |
C3 | C4 | C5 | 120.1° | 116.7° |
C3 | C4 | C9 | 111.3° | 114.7° |
C3 | S1 | C8 | 96.2° | 99.0° |
C5 | C4 | C9 | 128.5° | 128.6° |
C4 | C5 | C6 | 120.5° | 120.8° |
C4 | C5 | H5 | 117.9° | 119.6° |
C4 | C9 | C8 | 112.8° | 119.1° |
C4 | C9 | C7 | 122.6° | 120.5° |
C6 | C5 | H5 | 121.6° | 119.6° |
C5 | C6 | H6 | 120.8° | 119.2° |
S1 | C8 | C9 | 110.7° | 103.4° |
S1 | C8 | C10 | 122.4° | 128.3° |
C9 | C8 | C10 | 126.8° | 128.3° |
C8 | C9 | C7 | 122.8° | 120.4° |
C8 | C10 | C12 | 122.9° | 120.5° |
C8 | C10 | C20 | 118.0° | 120.5° |
C9 | C7 | C13 | 120.5° | 109.5° |
C9 | C7 | H71 | 108.3° | 109.5° |
C9 | C7 | H72 | 108.3° | 109.4° |
C13 | C7 | H71 | 108.3° | 109.5° |
C13 | C7 | H72 | 108.3° | 109.5° |
C7 | C13 | C11 | 124.5° | 119.9° |
C7 | C13 | C15 | 119.3° | 120.0° |
H71 | C7 | H72 | 101.6° | 109.5° |
C12 | C10 | C20 | 118.8° | 119.0° |
C10 | C12 | C14 | 120.4° | 118.4° |
C10 | C12 | H12 | 119.1° | 120.8° |
C10 | C20 | N1 | 122.2° | 120.6° |
C10 | C20 | H20 | 121.6° | 119.7° |
C14 | C12 | H12 | 120.5° | 120.8° |
C12 | C14 | C16 | 115.2° | 119.2° |
C12 | C14 | H14 | 121.6° | 120.4° |
C16 | C14 | H14 | 123.2° | 120.4° |
C14 | C16 | N1 | 122.9° | 120.9° |
C14 | C16 | O2 | 116.1° | 119.5° |
N1 | C16 | O2 | 118.7° | 119.5° |
C16 | N1 | C20 | 120.3° | 121.8° |
C16 | O2 | C24 | 111.1° | 106.8° |
N1 | C20 | H20 | 116.2° | 119.7° |
O2 | C24 | C34 | 107.3° | 109.5° |
O2 | C24 | H241 | 113.0° | 109.5° |
O2 | C24 | H242 | 113.0° | 109.5° |
C34 | C24 | H241 | 113.0° | 109.5° |
C34 | C24 | H242 | 113.0° | 109.5° |
C24 | C34 | N3 | 101.8° | 109.5° |
C24 | C34 | H341 | 115.1° | 109.5° |
C24 | C34 | H342 | 115.1° | 109.5° |
H241 | C24 | H242 | 97.5° | 109.4° |
C13 | C11 | C21 | 123.0° | 120.1° |
C13 | C11 | H11 | 119.9° | 120.0° |
C11 | C13 | C15 | 116.3° | 120.1° |
C21 | C11 | H11 | 117.1° | 119.9° |
C11 | C21 | C19 | 120.0° | 119.9° |
C11 | C21 | H21 | 120.3° | 120.1° |
C13 | C15 | C32 | 120.6° | 120.1° |
C13 | C15 | H15 | 119.5° | 120.0° |
C32 | C15 | H15 | 119.9° | 120.0° |
C15 | C32 | C19 | 119.6° | 120.0° |
C15 | C32 | H32 | 120.6° | 120.1° |
C19 | C32 | H32 | 119.7° | 120.0° |
C32 | C19 | C21 | 119.8° | 119.9° |
C32 | C19 | O3 | 116.8° | 120.0° |
C21 | C19 | O3 | 123.0° | 120.1° |
C19 | C21 | H21 | 119.8° | 120.0° |
C19 | O3 | C25 | 126.7° | 106.8° |
O3 | C25 | C33 | 115.6° | 109.5° |
O3 | C25 | H251 | 110.0° | 109.4° |
O3 | C25 | H252 | 110.0° | 109.5° |
C33 | C25 | H251 | 110.0° | 109.5° |
C33 | C25 | H252 | 110.0° | 109.5° |
C25 | C33 | N2 | 113.0° | 109.5° |
C25 | C33 | H331 | 110.9° | 109.5° |
C25 | C33 | H332 | 110.9° | 109.5° |
H251 | C25 | H252 | 100.2° | 109.5° |
C23 | C17 | C27 | 108.6° | 101.7° |
C23 | C17 | H171 | 112.6° | 110.9° |
C23 | C17 | H172 | 112.6° | 111.0° |
C17 | C23 | C26 | 108.4° | 103.0° |
C17 | C23 | H231 | 112.5° | 110.7° |
C17 | C23 | H232 | 112.6° | 110.7° |
C27 | C17 | H171 | 112.5° | 111.0° |
C27 | C17 | H172 | 112.6° | 111.0° |
C17 | C27 | N2 | 100.5° | 104.8° |
C17 | C27 | H271 | 115.6° | 110.4° |
C17 | C27 | H272 | 115.6° | 110.4° |
H171 | C17 | H172 | 97.8° | 110.9° |
C26 | C23 | H231 | 112.6° | 110.7° |
C26 | C23 | H232 | 112.6° | 110.7° |
C23 | C26 | N2 | 101.9° | 107.2° |
C23 | C26 | H261 | 115.1° | 109.9° |
C23 | C26 | H262 | 115.1° | 109.9° |
H231 | C23 | H232 | 97.9° | 110.8° |
N2 | C26 | H261 | 115.1° | 110.0° |
N2 | C26 | H262 | 115.1° | 109.8° |
C26 | N2 | C27 | 112.9° | 108.6° |
C26 | N2 | C33 | 104.3° | 106.8° |
H261 | C26 | H262 | 95.4° | 110.0° |
C27 | N2 | C33 | 107.3° | 106.7° |
N2 | C27 | H271 | 115.7° | 110.3° |
N2 | C27 | H272 | 115.7° | 110.4° |
N2 | C33 | H331 | 110.9° | 109.4° |
N2 | C33 | H332 | 110.9° | 109.4° |
H271 | C27 | H272 | 94.8° | 110.4° |
N3 | C22 | C30 | 97.8° | 107.2° |
N3 | C22 | H221 | 116.7° | 109.9° |
N3 | C22 | H222 | 116.8° | 109.9° |
C22 | N3 | C28 | 111.1° | 108.6° |
C22 | N3 | C34 | 96.7° | 106.7° |
C30 | C22 | H221 | 116.7° | 109.9° |
C30 | C22 | H222 | 116.7° | 109.9° |
C22 | C30 | C29 | 107.4° | 103.1° |
C22 | C30 | H301 | 113.0° | 110.7° |
C22 | C30 | H302 | 113.0° | 110.7° |
H221 | C22 | H222 | 93.7° | 110.0° |
C28 | N3 | C34 | 123.7° | 106.7° |
N3 | C28 | C29 | 100.2° | 104.8° |
N3 | C28 | H281 | 115.8° | 110.4° |
N3 | C28 | H282 | 115.8° | 110.4° |
N3 | C34 | H341 | 115.1° | 109.5° |
N3 | C34 | H342 | 115.1° | 109.4° |
C29 | C28 | H281 | 115.8° | 110.4° |
C29 | C28 | H282 | 115.7° | 110.3° |
C28 | C29 | C30 | 108.4° | 101.6° |
C28 | C29 | H291 | 112.6° | 110.9° |
C28 | C29 | H292 | 112.6° | 111.0° |
H281 | C28 | H282 | 94.7° | 110.4° |
C30 | C29 | H291 | 112.6° | 111.0° |
C30 | C29 | H292 | 112.6° | 111.0° |
C29 | C30 | H301 | 113.0° | 110.7° |
C29 | C30 | H302 | 113.0° | 110.7° |
H291 | C29 | H292 | 97.8° | 110.9° |
H301 | C30 | H302 | 97.5° | 110.7° |
H331 | C33 | H332 | 99.5° | 109.5° |
H341 | C34 | H342 | 95.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | O1 | 172.5° | 179.8° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 1.2° | 0.5° |
C1 | C2 | C3 | S1 | 174.3° | 179.8° |
C2 | C1 | C6 | C5 | 0.2° | 0.2° |
C2 | C1 | C6 | H6 | 179.8° | 179.8° |
C2 | C1 | O1 | HO1 | 180.0° | 90.2° |
C6 | C1 | C2 | C3 | 1.4° | 0.4° |
C6 | C1 | C2 | H2 | 178.6° | 179.6° |
C1 | C6 | C5 | C4 | 1.3° | 0.0° |
C1 | C6 | C5 | H6 | 180.0° | 180.0° |
C1 | C6 | C5 | H5 | 178.7° | 180.0° |
C6 | C1 | O1 | HO1 | 7.6° | 90.1° |
O1 | C1 | C2 | C3 | 171.0° | 179.8° |
O1 | C1 | C2 | H2 | 9.0° | 0.2° |
O1 | C1 | C6 | C5 | 172.3° | 180.0° |
O1 | C1 | C6 | H6 | 7.8° | 0.0° |
C2 | C3 | C4 | S1 | 176.3° | 179.8° |
C2 | C3 | C4 | C5 | 0.3° | 0.2° |
C2 | C3 | C4 | C9 | 176.4° | 179.8° |
C2 | C3 | S1 | C8 | 177.8° | 179.8° |
H2 | C2 | C3 | C4 | 178.8° | 179.6° |
H2 | C2 | C3 | S1 | 5.7° | 0.1° |
C3 | C4 | C5 | C9 | 176.2° | 179.9° |
C3 | C4 | C5 | C6 | 1.6° | 0.0° |
C3 | C4 | C5 | H5 | 178.4° | 179.9° |
C4 | C3 | S1 | C8 | 1.9° | 0.0° |
C3 | C4 | C9 | C8 | 2.2° | 0.0° |
C3 | C4 | C9 | C7 | 162.7° | 180.0° |
S1 | C3 | C4 | C5 | 176.7° | 180.0° |
S1 | C3 | C4 | C9 | 0.1° | 0.0° |
C3 | S1 | C8 | C9 | 3.2° | 0.0° |
C3 | S1 | C8 | C10 | 179.2° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 178.7° | 180.0° |
C5 | C4 | C9 | C8 | 178.7° | 179.9° |
C5 | C4 | C9 | C7 | 13.7° | 0.1° |
C9 | C4 | C5 | C6 | 174.6° | 179.9° |
C9 | C4 | C5 | H5 | 5.4° | 0.0° |
C4 | C9 | C8 | S1 | 3.6° | 0.0° |
C4 | C9 | C8 | C7 | 164.9° | 179.9° |
C4 | C9 | C8 | C10 | 179.4° | 179.9° |
C4 | C9 | C7 | C13 | 97.0° | 89.9° |
C4 | C9 | C7 | H71 | 137.7° | 150.0° |
C4 | C9 | C7 | H72 | 28.3° | 30.1° |
H5 | C5 | C6 | H6 | 1.3° | 0.1° |
S1 | C8 | C9 | C10 | 175.7° | 180.0° |
S1 | C8 | C9 | C7 | 161.3° | 179.9° |
S1 | C8 | C10 | C12 | 145.6° | 129.8° |
S1 | C8 | C10 | C20 | 40.3° | 50.3° |
C8 | C9 | C7 | C13 | 66.4° | 90.0° |
C8 | C9 | C7 | H71 | 58.9° | 30.0° |
C8 | C9 | C7 | H72 | 168.3° | 150.0° |
C9 | C8 | C10 | C12 | 39.1° | 50.2° |
C9 | C8 | C10 | C20 | 134.9° | 129.6° |
C10 | C8 | C9 | C7 | 14.5° | 0.0° |
C8 | C10 | C12 | C20 | 174.0° | 179.8° |
C8 | C10 | C12 | C14 | 173.6° | 180.0° |
C8 | C10 | C12 | H12 | 6.4° | 0.1° |
C8 | C10 | C20 | N1 | 174.8° | 179.7° |
C8 | C10 | C20 | H20 | 5.2° | 0.2° |
C9 | C7 | C13 | H71 | 125.3° | 120.0° |
C9 | C7 | C13 | H72 | 125.3° | 119.9° |
C9 | C7 | H71 | H72 | 113.9° | 119.9° |
C9 | C7 | C13 | C11 | 0.5° | 90.0° |
C9 | C7 | C13 | C15 | 179.6° | 90.2° |
C13 | C7 | H71 | H72 | 113.9° | 120.0° |
C7 | C13 | C11 | C15 | 179.1° | 179.8° |
C7 | C13 | C11 | C21 | 176.4° | 180.0° |
C7 | C13 | C11 | H11 | 3.6° | 0.1° |
C7 | C13 | C15 | C32 | 175.1° | 179.7° |
C7 | C13 | C15 | H15 | 4.8° | 0.2° |
H71 | C7 | C13 | C11 | 124.7° | 30.0° |
H71 | C7 | C13 | C15 | 54.3° | 149.7° |
H72 | C7 | C13 | C11 | 125.9° | 150.1° |
H72 | C7 | C13 | C15 | 55.1° | 29.7° |
C10 | C12 | C14 | H12 | 180.0° | 180.0° |
C10 | C12 | C14 | C16 | 2.4° | 0.0° |
C10 | C12 | C14 | H14 | 177.6° | 179.9° |
C12 | C10 | C20 | N1 | 0.5° | 0.5° |
C12 | C10 | C20 | H20 | 179.5° | 180.0° |
C20 | C10 | C12 | C14 | 0.4° | 0.2° |
C20 | C10 | C12 | H12 | 179.6° | 179.7° |
C10 | C20 | N1 | C16 | 0.9° | 0.5° |
C10 | C20 | N1 | H20 | 180.0° | 179.5° |
C12 | C14 | C16 | H14 | 180.0° | 180.0° |
C12 | C14 | C16 | N1 | 3.8° | 0.0° |
C12 | C14 | C16 | O2 | 158.5° | 180.0° |
H12 | C12 | C14 | C16 | 177.7° | 180.0° |
H12 | C12 | C14 | H14 | 2.3° | 0.0° |
C14 | C16 | N1 | O2 | 161.9° | 180.0° |
C14 | C16 | N1 | C20 | 3.2° | 0.2° |
C14 | C16 | O2 | C24 | 128.6° | 180.0° |
H14 | C14 | C16 | N1 | 176.2° | 179.9° |
H14 | C14 | C16 | O2 | 21.5° | 0.0° |
C16 | N1 | C20 | H20 | 179.1° | 180.0° |
N1 | C16 | O2 | C24 | 68.3° | 0.0° |
O2 | C16 | N1 | C20 | 158.7° | 179.7° |
C16 | O2 | C24 | C34 | 174.2° | 180.0° |
C16 | O2 | C24 | H241 | 48.9° | 60.0° |
C16 | O2 | C24 | H242 | 60.5° | 60.0° |
O2 | C24 | C34 | H241 | 125.2° | 120.0° |
O2 | C24 | C34 | H242 | 125.3° | 120.0° |
O2 | C24 | H241 | H242 | 119.0° | 120.0° |
O2 | C24 | C34 | N3 | 100.3° | 60.0° |
O2 | C24 | C34 | H341 | 134.5° | 180.0° |
O2 | C24 | C34 | H342 | 24.9° | 60.0° |
C34 | C24 | H241 | H242 | 119.0° | 120.0° |
C24 | C34 | N3 | C22 | 107.1° | 180.0° |
C24 | C34 | N3 | C28 | 132.0° | 64.0° |
C24 | C34 | N3 | H341 | 125.3° | 120.1° |
C24 | C34 | N3 | H342 | 125.3° | 120.0° |
C24 | C34 | H341 | H342 | 121.1° | 120.0° |
H241 | C24 | C34 | N3 | 24.9° | 60.1° |
H241 | C24 | C34 | H341 | 100.3° | 60.0° |
H241 | C24 | C34 | H342 | 150.1° | 180.0° |
H242 | C24 | C34 | N3 | 134.4° | 180.0° |
H242 | C24 | C34 | H341 | 9.2° | 60.0° |
H242 | C24 | C34 | H342 | 100.4° | 60.0° |
C13 | C11 | C21 | H11 | 180.0° | 179.9° |
C11 | C13 | C15 | C32 | 4.0° | 0.5° |
C11 | C13 | C15 | H15 | 176.0° | 179.9° |
C13 | C11 | C21 | C19 | 4.0° | 0.0° |
C13 | C11 | C21 | H21 | 175.9° | 180.0° |
C21 | C11 | C13 | C15 | 2.7° | 0.2° |
C11 | C21 | C19 | C32 | 9.5° | 0.1° |
C11 | C21 | C19 | H21 | 180.0° | 179.9° |
C11 | C21 | C19 | O3 | 163.4° | 179.9° |
H11 | C11 | C13 | C15 | 177.3° | 179.8° |
H11 | C11 | C21 | C19 | 175.9° | 179.9° |
H11 | C11 | C21 | H21 | 4.1° | 0.0° |
C13 | C15 | C32 | H15 | 180.0° | 179.6° |
C13 | C15 | C32 | C19 | 1.2° | 0.5° |
C13 | C15 | C32 | H32 | 178.8° | 179.7° |
C15 | C32 | C19 | H32 | 180.0° | 179.8° |
C15 | C32 | C19 | C21 | 8.1° | 0.2° |
C15 | C32 | C19 | O3 | 165.2° | 179.7° |
H15 | C15 | C32 | C19 | 178.7° | 180.0° |
H15 | C15 | C32 | H32 | 1.3° | 0.2° |
C32 | C19 | C21 | O3 | 172.9° | 179.9° |
C32 | C19 | C21 | H21 | 170.5° | 180.0° |
C32 | C19 | O3 | C25 | 160.4° | 0.1° |
H32 | C32 | C19 | C21 | 171.9° | 180.0° |
H32 | C32 | C19 | O3 | 14.8° | 0.1° |
C21 | C19 | O3 | C25 | 26.5° | 180.0° |
O3 | C19 | C21 | H21 | 16.7° | 0.2° |
C19 | O3 | C25 | C33 | 42.2° | 179.9° |
C19 | O3 | C25 | H251 | 83.1° | 60.1° |
C19 | O3 | C25 | H252 | 167.5° | 59.9° |
O3 | C25 | C33 | H251 | 125.3° | 120.0° |
O3 | C25 | C33 | H252 | 125.2° | 120.0° |
O3 | C25 | H251 | H252 | 115.8° | 120.0° |
O3 | C25 | C33 | N2 | 102.2° | 60.0° |
O3 | C25 | C33 | H331 | 23.1° | 179.9° |
O3 | C25 | C33 | H332 | 132.6° | 60.0° |
C33 | C25 | H251 | H252 | 115.8° | 120.0° |
C25 | C33 | N2 | C26 | 177.5° | 179.9° |
C25 | C33 | N2 | C27 | 57.6° | 64.0° |
C25 | C33 | N2 | H331 | 125.2° | 120.0° |
C25 | C33 | N2 | H332 | 125.2° | 120.0° |
C25 | C33 | H331 | H332 | 116.8° | 120.1° |
H251 | C25 | C33 | N2 | 132.6° | 60.0° |
H251 | C25 | C33 | H331 | 102.2° | 60.0° |
H251 | C25 | C33 | H332 | 7.3° | 179.9° |
H252 | C25 | C33 | N2 | 23.1° | 180.0° |
H252 | C25 | C33 | H331 | 148.3° | 60.1° |
H252 | C25 | C33 | H332 | 102.2° | 60.0° |
C23 | C17 | C27 | H171 | 125.3° | 118.1° |
C23 | C17 | C27 | H172 | 125.3° | 118.1° |
C23 | C17 | H171 | H172 | 118.4° | 123.8° |
C17 | C23 | C26 | H231 | 125.2° | 118.4° |
C17 | C23 | C26 | H232 | 125.2° | 118.3° |
C17 | C23 | H231 | H232 | 118.5° | 123.2° |
C17 | C23 | C26 | N2 | 0.1° | 22.3° |
C17 | C23 | C26 | H261 | 125.4° | 97.2° |
C17 | C23 | C26 | H262 | 125.1° | 141.6° |
C23 | C17 | C27 | N2 | 26.0° | 37.0° |
C23 | C17 | C27 | H271 | 99.3° | 81.8° |
C23 | C17 | C27 | H272 | 151.3° | 155.9° |
C27 | C17 | H171 | H172 | 118.4° | 123.9° |
C27 | C17 | C23 | C26 | 17.0° | 35.6° |
C27 | C17 | C23 | H231 | 142.3° | 154.0° |
C27 | C17 | C23 | H232 | 108.3° | 82.7° |
C17 | C27 | N2 | C26 | 27.5° | 24.0° |
C17 | C27 | N2 | H271 | 125.3° | 118.8° |
C17 | C27 | N2 | H272 | 125.2° | 118.8° |
C17 | C27 | N2 | C33 | 141.8° | 138.8° |
C17 | C27 | H271 | H272 | 121.4° | 122.3° |
H171 | C17 | C23 | C26 | 142.3° | 82.4° |
H171 | C17 | C23 | H231 | 92.4° | 35.9° |
H171 | C17 | C23 | H232 | 17.0° | 159.2° |
H171 | C17 | C27 | N2 | 151.3° | 81.0° |
H171 | C17 | C27 | H271 | 26.0° | 160.2° |
H171 | C17 | C27 | H272 | 83.4° | 37.8° |
H172 | C17 | C23 | C26 | 108.3° | 153.8° |
H172 | C17 | C23 | H231 | 17.0° | 87.9° |
H172 | C17 | C23 | H232 | 126.4° | 35.4° |
H172 | C17 | C27 | N2 | 99.3° | 155.1° |
H172 | C17 | C27 | H271 | 135.4° | 36.3° |
H172 | C17 | C27 | H272 | 26.0° | 86.0° |
C26 | C23 | H231 | H232 | 118.6° | 123.2° |
C23 | C26 | N2 | H261 | 125.2° | 119.5° |
C23 | C26 | N2 | H262 | 125.2° | 119.4° |
C23 | C26 | H261 | H262 | 121.0° | 121.1° |
C23 | C26 | N2 | C27 | 17.8° | 0.9° |
C23 | C26 | N2 | C33 | 133.8° | 115.7° |
H231 | C23 | C26 | N2 | 125.1° | 140.7° |
H231 | C23 | C26 | H261 | 0.1° | 21.2° |
H231 | C23 | C26 | H262 | 109.7° | 100.0° |
H232 | C23 | C26 | N2 | 125.4° | 96.0° |
H232 | C23 | C26 | H261 | 109.4° | 144.5° |
H232 | C23 | C26 | H262 | 0.2° | 23.3° |
N2 | C26 | H261 | H262 | 121.0° | 121.1° |
C26 | N2 | C27 | C33 | 114.2° | 114.8° |
C26 | N2 | C27 | H271 | 97.7° | 94.8° |
C26 | N2 | C27 | H272 | 152.8° | 142.8° |
C26 | N2 | C33 | H331 | 52.3° | 59.9° |
C26 | N2 | C33 | H332 | 57.2° | 60.1° |
H261 | C26 | N2 | C27 | 143.0° | 120.4° |
H261 | C26 | N2 | C33 | 101.0° | 124.9° |
H262 | C26 | N2 | C27 | 107.5° | 118.4° |
H262 | C26 | N2 | C33 | 8.6° | 3.7° |
N2 | C27 | H271 | H272 | 121.5° | 122.3° |
C27 | N2 | C33 | H331 | 67.6° | 176.0° |
C27 | N2 | C33 | H332 | 177.1° | 56.0° |
C33 | N2 | C27 | H271 | 16.5° | 20.0° |
C33 | N2 | C27 | H272 | 93.0° | 102.4° |
N2 | C33 | H331 | H332 | 116.8° | 119.9° |
N3 | C22 | C30 | H221 | 125.3° | 119.4° |
N3 | C22 | C30 | H222 | 125.3° | 119.5° |
N3 | C22 | H221 | H222 | 122.5° | 121.1° |
C22 | N3 | C28 | C34 | 114.1° | 114.7° |
C22 | N3 | C28 | C29 | 29.1° | 24.1° |
C22 | N3 | C28 | H281 | 154.4° | 94.7° |
C22 | N3 | C28 | H282 | 96.1° | 142.9° |
N3 | C22 | C30 | C29 | 33.6° | 22.2° |
N3 | C22 | C30 | H301 | 158.9° | 140.6° |
N3 | C22 | C30 | H302 | 91.7° | 96.1° |
C22 | N3 | C34 | H341 | 127.6° | 60.0° |
C22 | N3 | C34 | H342 | 18.1° | 60.0° |
C30 | C22 | H221 | H222 | 122.4° | 121.1° |
C30 | C22 | N3 | C28 | 39.7° | 1.0° |
C30 | C22 | N3 | C34 | 169.7° | 115.7° |
C22 | C30 | C29 | C28 | 18.4° | 35.6° |
C22 | C30 | C29 | H301 | 125.3° | 118.4° |
C22 | C30 | C29 | H302 | 125.3° | 118.4° |
C22 | C30 | C29 | H291 | 143.6° | 82.4° |
C22 | C30 | C29 | H292 | 106.9° | 153.7° |
C22 | C30 | H301 | H302 | 118.9° | 123.2° |
H221 | C22 | N3 | C28 | 85.6° | 120.4° |
H221 | C22 | N3 | C34 | 44.5° | 124.9° |
H221 | C22 | C30 | C29 | 91.7° | 97.2° |
H221 | C22 | C30 | H301 | 33.6° | 21.2° |
H221 | C22 | C30 | H302 | 143.0° | 144.5° |
H222 | C22 | N3 | C28 | 164.9° | 118.4° |
H222 | C22 | N3 | C34 | 65.0° | 3.8° |
H222 | C22 | C30 | C29 | 158.9° | 141.7° |
H222 | C22 | C30 | H301 | 75.9° | 99.9° |
H222 | C22 | C30 | H302 | 33.6° | 23.3° |
N3 | C28 | C29 | H281 | 125.3° | 118.8° |
N3 | C28 | C29 | H282 | 125.3° | 118.9° |
N3 | C28 | H281 | H282 | 121.7° | 122.4° |
N3 | C28 | C29 | C30 | 5.8° | 37.0° |
N3 | C28 | C29 | H291 | 119.4° | 81.0° |
N3 | C28 | C29 | H292 | 131.1° | 155.2° |
C28 | N3 | C34 | H341 | 6.7° | 175.9° |
C28 | N3 | C34 | H342 | 102.8° | 55.9° |
C34 | N3 | C28 | C29 | 143.2° | 138.8° |
C34 | N3 | C28 | H281 | 91.6° | 20.0° |
C34 | N3 | C28 | H282 | 18.0° | 102.4° |
N3 | C34 | H341 | H342 | 120.9° | 119.9° |
C29 | C28 | H281 | H282 | 121.5° | 122.3° |
C28 | C29 | C30 | H291 | 125.3° | 118.0° |
C28 | C29 | C30 | H292 | 125.3° | 118.1° |
C28 | C29 | H291 | H292 | 118.6° | 123.9° |
C28 | C29 | C30 | H301 | 143.7° | 154.0° |
C28 | C29 | C30 | H302 | 106.9° | 82.8° |
H281 | C28 | C29 | C30 | 131.1° | 81.8° |
H281 | C28 | C29 | H291 | 5.8° | 160.2° |
H281 | C28 | C29 | H292 | 103.6° | 36.4° |
H282 | C28 | C29 | C30 | 119.5° | 155.9° |
H282 | C28 | C29 | H291 | 115.3° | 37.8° |
H282 | C28 | C29 | H292 | 5.8° | 86.0° |
C30 | C29 | H291 | H292 | 118.5° | 123.9° |
C29 | C30 | H301 | H302 | 118.9° | 123.1° |
H291 | C29 | C30 | H301 | 91.1° | 36.0° |
H291 | C29 | C30 | H302 | 18.4° | 159.2° |
H292 | C29 | C30 | H301 | 18.4° | 87.9° |
H292 | C29 | C30 | H302 | 127.8° | 35.3° |