BT2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.38Å | 1.54Å | Aromatic |
C1 | C6 | sing | 1.39Å | 1.53Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.38Å | 1.48Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | doub | 1.41Å | 1.48Å | Aromatic |
C3 | S1 | sing | 1.77Å | 1.67Å | Aromatic |
C4 | C5 | sing | 1.42Å | 1.46Å | Aromatic |
C4 | C9 | sing | 1.45Å | 1.46Å | Aromatic |
C5 | C6 | doub | 1.36Å | 1.55Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
S1 | C8 | sing | 1.78Å | 1.73Å | Aromatic |
C8 | C9 | doub | 1.35Å | 1.44Å | Aromatic |
C8 | C10 | sing | 1.48Å | 1.53Å | Aromatic |
C9 | C7 | sing | 1.51Å | 1.58Å | |
C7 | C13 | sing | 1.51Å | 1.58Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C10 | C12 | doub | 1.40Å | 1.51Å | Aromatic |
C10 | C20 | sing | 1.40Å | 1.46Å | Aromatic |
C12 | C14 | sing | 1.38Å | 1.54Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C14 | C16 | doub | 1.39Å | 1.52Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.10Å | |
C16 | C18 | sing | 1.39Å | 1.54Å | Aromatic |
C16 | O2 | sing | 1.36Å | 1.41Å | |
C18 | C20 | doub | 1.38Å | 1.52Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.10Å | |
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 | 1.11Å | |
C24 | H242 | sing | 1.09Å | 1.11Å | |
C11 | C13 | doub | 1.38Å | 1.51Å | Aromatic |
C11 | C21 | sing | 1.38Å | 1.51Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C13 | C15 | sing | 1.38Å | 1.53Å | Aromatic |
C15 | C32 | doub | 1.38Å | 1.54Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.10Å | |
C32 | C19 | sing | 1.39Å | 1.53Å | Aromatic |
C32 | H32 | sing | 1.08Å | 1.10Å | |
C19 | C21 | doub | 1.39Å | 1.52Å | Aromatic |
C19 | O3 | sing | 1.36Å | 1.40Å | |
C21 | H21 | sing | 1.08Å | 1.10Å | |
O3 | C25 | sing | 1.43Å | 1.47Å | |
C25 | C33 | sing | 1.53Å | 1.54Å | |
C25 | H251 | sing | 1.09Å | 1.11Å | |
C25 | H252 | sing | 1.09Å | 1.11Å | |
C17 | C23 | sing | 1.54Å | 1.53Å | |
C17 | C27 | sing | 1.54Å | 1.55Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.11Å | |
C23 | C26 | sing | 1.54Å | 1.52Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C26 | N2 | sing | 1.49Å | 1.53Å | |
C26 | H261 | sing | 1.09Å | 1.12Å | |
C26 | H262 | sing | 1.09Å | 1.12Å | |
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 | 1.11Å | |
C22 | N3 | sing | 1.47Å | 1.54Å | |
C22 | C30 | sing | 1.54Å | 1.53Å | |
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 | 1.54Å | |
C28 | H281 | sing | 1.09Å | 1.12Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
C29 | C30 | sing | 1.55Å | 1.54Å | |
C29 | H291 | sing | 1.09Å | 1.12Å | |
C29 | H292 | sing | 1.09Å | 1.11Å | |
C30 | H301 | sing | 1.09Å | 1.11Å | |
C30 | H302 | sing | 1.09Å | 1.12Å | |
C33 | H331 | sing | 1.09Å | 1.11Å | |
C33 | H332 | sing | 1.09Å | 1.12Å | |
C34 | H341 | sing | 1.09Å | 1.12Å | |
C34 | H342 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 116.7° | 119.5° |
C2 | C1 | H1 | 122.2° | 120.2° |
C1 | C2 | C3 | 121.6° | 119.6° |
C1 | C2 | H2 | 121.2° | 120.2° |
C6 | C1 | H1 | 121.2° | 120.3° |
C1 | C6 | C5 | 118.2° | 121.5° |
C1 | C6 | H6 | 120.2° | 119.2° |
C3 | C2 | H2 | 117.2° | 120.2° |
C2 | C3 | C4 | 121.8° | 122.0° |
C2 | C3 | S1 | 128.3° | 134.2° |
C4 | C3 | S1 | 109.3° | 103.8° |
C3 | C4 | C5 | 118.4° | 116.7° |
C3 | C4 | C9 | 111.2° | 114.7° |
C3 | S1 | C8 | 98.3° | 99.0° |
C5 | C4 | C9 | 130.0° | 128.6° |
C4 | C5 | C6 | 123.2° | 120.7° |
C4 | C5 | H5 | 115.1° | 119.6° |
C4 | C9 | C8 | 113.5° | 119.1° |
C4 | C9 | C7 | 123.4° | 120.5° |
C6 | C5 | H5 | 121.7° | 119.7° |
C5 | C6 | H6 | 121.6° | 119.2° |
S1 | C8 | C9 | 107.7° | 103.4° |
S1 | C8 | C10 | 127.2° | 128.3° |
C9 | C8 | C10 | 125.1° | 128.3° |
C8 | C9 | C7 | 122.5° | 120.4° |
C8 | C10 | C12 | 124.8° | 120.1° |
C8 | C10 | C20 | 117.2° | 120.1° |
C9 | C7 | C13 | 118.8° | 109.4° |
C9 | C7 | H71 | 108.9° | 109.5° |
C9 | C7 | H72 | 108.9° | 109.5° |
C13 | C7 | H71 | 108.9° | 109.4° |
C13 | C7 | H72 | 108.9° | 109.5° |
C7 | C13 | C11 | 125.7° | 120.0° |
C7 | C13 | C15 | 118.5° | 119.9° |
H71 | C7 | H72 | 101.1° | 109.5° |
C12 | C10 | C20 | 117.6° | 119.8° |
C10 | C12 | C14 | 123.7° | 119.9° |
C10 | C12 | H12 | 117.3° | 120.0° |
C10 | C20 | C18 | 121.6° | 119.9° |
C10 | C20 | H20 | 117.3° | 120.0° |
C14 | C12 | H12 | 119.0° | 120.1° |
C12 | C14 | C16 | 117.8° | 120.0° |
C12 | C14 | H14 | 121.5° | 119.9° |
C16 | C14 | H14 | 120.7° | 120.0° |
C14 | C16 | C18 | 117.7° | 120.2° |
C14 | C16 | O2 | 119.3° | 119.9° |
C18 | C16 | O2 | 122.7° | 119.9° |
C16 | C18 | C20 | 121.4° | 120.1° |
C16 | C18 | H18 | 120.1° | 120.0° |
C16 | O2 | C24 | 116.7° | 106.8° |
C20 | C18 | H18 | 118.5° | 119.9° |
C18 | C20 | H20 | 121.2° | 120.1° |
O2 | C24 | C34 | 116.5° | 109.5° |
O2 | C24 | H241 | 109.6° | 109.5° |
O2 | C24 | H242 | 109.7° | 109.5° |
C34 | C24 | H241 | 109.7° | 109.5° |
C34 | C24 | H242 | 109.6° | 109.5° |
C24 | C34 | N3 | 117.9° | 109.5° |
C24 | C34 | H341 | 109.2° | 109.5° |
C24 | C34 | H342 | 109.2° | 109.5° |
H241 | C24 | H242 | 100.6° | 109.5° |
C13 | C11 | C21 | 122.1° | 120.0° |
C13 | C11 | H11 | 119.0° | 119.9° |
C11 | C13 | C15 | 115.7° | 120.1° |
C21 | C11 | H11 | 118.9° | 120.0° |
C11 | C21 | C19 | 122.6° | 119.9° |
C11 | C21 | H21 | 118.4° | 120.1° |
C13 | C15 | C32 | 122.8° | 120.0° |
C13 | C15 | H15 | 118.3° | 120.0° |
C32 | C15 | H15 | 118.9° | 119.9° |
C15 | C32 | C19 | 119.6° | 119.9° |
C15 | C32 | H32 | 120.4° | 120.0° |
C19 | C32 | H32 | 119.9° | 120.1° |
C32 | C19 | C21 | 116.6° | 119.9° |
C32 | C19 | O3 | 123.4° | 120.0° |
C21 | C19 | O3 | 119.7° | 120.1° |
C19 | C21 | H21 | 118.9° | 120.0° |
C19 | O3 | C25 | 118.8° | 106.8° |
O3 | C25 | C33 | 115.3° | 109.5° |
O3 | C25 | H251 | 110.1° | 109.4° |
O3 | C25 | H252 | 110.0° | 109.5° |
C33 | C25 | H251 | 110.1° | 109.5° |
C33 | C25 | H252 | 110.1° | 109.5° |
C25 | C33 | N2 | 111.5° | 109.4° |
C25 | C33 | H331 | 111.5° | 109.5° |
C25 | C33 | H332 | 111.5° | 109.5° |
H251 | C25 | H252 | 100.2° | 109.4° |
C23 | C17 | C27 | 110.0° | 105.1° |
C23 | C17 | H171 | 112.0° | 110.3° |
C23 | C17 | H172 | 111.9° | 110.3° |
C17 | C23 | C26 | 109.5° | 105.0° |
C17 | C23 | H231 | 112.2° | 110.3° |
C17 | C23 | H232 | 112.2° | 110.3° |
C27 | C17 | H171 | 112.0° | 110.4° |
C27 | C17 | H172 | 112.0° | 110.3° |
C17 | C27 | N2 | 101.7° | 104.6° |
C17 | C27 | H271 | 115.2° | 110.4° |
C17 | C27 | H272 | 115.2° | 110.5° |
H171 | C17 | H172 | 98.4° | 110.4° |
C26 | C23 | H231 | 112.2° | 110.3° |
C26 | C23 | H232 | 112.2° | 110.3° |
C23 | C26 | N2 | 102.6° | 104.6° |
C23 | C26 | H261 | 114.8° | 110.4° |
C23 | C26 | H262 | 114.8° | 110.4° |
H231 | C23 | H232 | 98.2° | 110.4° |
N2 | C26 | H261 | 114.9° | 110.4° |
N2 | C26 | H262 | 114.9° | 110.4° |
C26 | N2 | C27 | 115.5° | 104.2° |
C26 | N2 | C33 | 115.6° | 106.7° |
H261 | C26 | H262 | 95.6° | 110.4° |
C27 | N2 | C33 | 126.4° | 106.7° |
N2 | C27 | H271 | 115.2° | 110.4° |
N2 | C27 | H272 | 115.2° | 110.4° |
N2 | C33 | H331 | 111.5° | 109.5° |
N2 | C33 | H332 | 111.5° | 109.4° |
H271 | C27 | H272 | 95.3° | 110.5° |
N3 | C22 | C30 | 101.3° | 107.3° |
N3 | C22 | H221 | 115.4° | 109.9° |
N3 | C22 | H222 | 115.4° | 109.9° |
C22 | N3 | C28 | 113.8° | 108.6° |
C22 | N3 | C34 | 113.3° | 106.8° |
C30 | C22 | H221 | 115.4° | 109.9° |
C30 | C22 | H222 | 115.4° | 109.8° |
C22 | C30 | C29 | 109.0° | 103.0° |
C22 | C30 | H301 | 112.4° | 110.7° |
C22 | C30 | H302 | 112.3° | 110.8° |
H221 | C22 | H222 | 95.1° | 110.0° |
C28 | N3 | C34 | 108.9° | 106.7° |
N3 | C28 | C29 | 102.0° | 104.8° |
N3 | C28 | H281 | 115.0° | 110.4° |
N3 | C28 | H282 | 115.0° | 110.4° |
N3 | C34 | H341 | 109.2° | 109.4° |
N3 | C34 | H342 | 109.1° | 109.5° |
C29 | C28 | H281 | 115.1° | 110.4° |
C29 | C28 | H282 | 115.1° | 110.4° |
C28 | C29 | C30 | 109.7° | 101.6° |
C28 | C29 | H291 | 112.1° | 111.0° |
C28 | C29 | H292 | 112.1° | 111.0° |
H281 | C28 | H282 | 95.4° | 110.4° |
C30 | C29 | H291 | 112.1° | 111.0° |
C30 | C29 | H292 | 112.1° | 111.0° |
C29 | C30 | H301 | 112.4° | 110.7° |
C29 | C30 | H302 | 112.4° | 110.7° |
H291 | C29 | H292 | 98.4° | 110.9° |
H301 | C30 | H302 | 98.0° | 110.7° |
H331 | C33 | H332 | 98.9° | 109.5° |
H341 | C34 | H342 | 100.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H1 | 180.0° | 179.9° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.1° | 0.3° |
C1 | C2 | C3 | S1 | 169.4° | 180.0° |
C2 | C1 | C6 | C5 | 3.0° | 0.0° |
C2 | C1 | C6 | H6 | 177.0° | 180.0° |
C6 | C1 | C2 | C3 | 2.9° | 0.0° |
C6 | C1 | C2 | H2 | 177.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.5° | 0.3° |
C1 | C6 | C5 | H6 | 180.0° | 180.0° |
C1 | C6 | C5 | H5 | 179.5° | 179.9° |
H1 | C1 | C2 | C3 | 177.1° | 179.9° |
H1 | C1 | C2 | H2 | 3.0° | 0.1° |
H1 | C1 | C6 | C5 | 177.0° | 179.9° |
H1 | C1 | C6 | H6 | 3.0° | 0.1° |
C2 | C3 | C4 | S1 | 171.3° | 179.8° |
C2 | C3 | C4 | C5 | 2.5° | 0.5° |
C2 | C3 | C4 | C9 | 171.4° | 179.8° |
C2 | C3 | S1 | C8 | 171.2° | 180.0° |
H2 | C2 | C3 | C4 | 179.8° | 179.7° |
H2 | C2 | C3 | S1 | 10.6° | 0.0° |
C3 | C4 | C5 | C9 | 172.6° | 179.2° |
C3 | C4 | C5 | C6 | 2.4° | 0.5° |
C3 | C4 | C5 | H5 | 177.6° | 179.7° |
C4 | C3 | S1 | C8 | 0.6° | 0.2° |
C3 | C4 | C9 | C8 | 0.7° | 0.5° |
C3 | C4 | C9 | C7 | 170.6° | 179.8° |
S1 | C3 | C4 | C5 | 173.9° | 179.7° |
S1 | C3 | C4 | C9 | 0.0° | 0.4° |
C3 | S1 | C8 | C9 | 1.0° | 0.0° |
C3 | S1 | C8 | C10 | 176.3° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.8° |
C4 | C5 | C6 | H6 | 179.5° | 179.7° |
C5 | C4 | C9 | C8 | 173.7° | 179.6° |
C5 | C4 | C9 | C7 | 2.4° | 0.6° |
C9 | C4 | C5 | C6 | 170.2° | 179.7° |
C9 | C4 | C5 | H5 | 9.8° | 0.5° |
C4 | C9 | C8 | S1 | 1.1° | 0.2° |
C4 | C9 | C8 | C7 | 171.4° | 179.8° |
C4 | C9 | C8 | C10 | 176.2° | 179.8° |
C4 | C9 | C7 | C13 | 97.3° | 92.5° |
C4 | C9 | C7 | H71 | 137.5° | 27.4° |
C4 | C9 | C7 | H72 | 28.0° | 147.5° |
H5 | C5 | C6 | H6 | 0.5° | 0.0° |
S1 | C8 | C9 | C10 | 177.3° | 180.0° |
S1 | C8 | C9 | C7 | 170.3° | 180.0° |
S1 | C8 | C10 | C12 | 137.1° | 50.3° |
S1 | C8 | C10 | C20 | 50.5° | 129.4° |
C8 | C9 | C7 | C13 | 73.2° | 87.2° |
C8 | C9 | C7 | H71 | 52.0° | 152.8° |
C8 | C9 | C7 | H72 | 161.5° | 32.8° |
C9 | C8 | C10 | C12 | 39.7° | 129.7° |
C9 | C8 | C10 | C20 | 132.7° | 50.6° |
C10 | C8 | C9 | C7 | 12.4° | 0.0° |
C8 | C10 | C12 | C20 | 172.4° | 179.7° |
C8 | C10 | C12 | C14 | 172.3° | 180.0° |
C8 | C10 | C12 | H12 | 7.7° | 0.0° |
C8 | C10 | C20 | C18 | 172.1° | 179.7° |
C8 | C10 | C20 | H20 | 7.9° | 0.3° |
C9 | C7 | C13 | H71 | 125.3° | 120.0° |
C9 | C7 | C13 | H72 | 125.3° | 120.1° |
C9 | C7 | H71 | H72 | 114.6° | 120.1° |
C9 | C7 | C13 | C11 | 5.0° | 84.7° |
C9 | C7 | C13 | C15 | 176.7° | 95.3° |
C13 | C7 | H71 | H72 | 114.5° | 120.0° |
C7 | C13 | C11 | C15 | 178.4° | 180.0° |
C7 | C13 | C11 | C21 | 176.7° | 179.7° |
C7 | C13 | C11 | H11 | 3.3° | 0.0° |
C7 | C13 | C15 | C32 | 176.0° | 180.0° |
C7 | C13 | C15 | H15 | 4.0° | 0.1° |
H71 | C7 | C13 | C11 | 120.3° | 35.3° |
H71 | C7 | C13 | C15 | 58.0° | 144.7° |
H72 | C7 | C13 | C11 | 130.3° | 155.3° |
H72 | C7 | C13 | C15 | 51.4° | 24.7° |
C10 | C12 | C14 | H12 | 180.0° | 180.0° |
C10 | C12 | C14 | C16 | 1.1° | 0.0° |
C10 | C12 | C14 | H14 | 178.9° | 179.9° |
C12 | C10 | C20 | C18 | 0.9° | 0.6° |
C12 | C10 | C20 | H20 | 179.1° | 180.0° |
C20 | C10 | C12 | C14 | 0.1° | 0.3° |
C20 | C10 | C12 | H12 | 179.9° | 179.7° |
C10 | C20 | C18 | C16 | 2.8° | 0.6° |
C10 | C20 | C18 | H20 | 180.0° | 179.5° |
C10 | C20 | C18 | H18 | 177.2° | 179.7° |
C12 | C14 | C16 | H14 | 180.0° | 179.9° |
C12 | C14 | C16 | C18 | 2.8° | 0.0° |
C12 | C14 | C16 | O2 | 172.4° | 180.0° |
H12 | C12 | C14 | C16 | 178.9° | 180.0° |
H12 | C12 | C14 | H14 | 1.1° | 0.0° |
C14 | C16 | C18 | O2 | 175.0° | 180.0° |
C14 | C16 | C18 | C20 | 3.7° | 0.3° |
C14 | C16 | C18 | H18 | 176.3° | 180.0° |
C14 | C16 | O2 | C24 | 156.9° | 180.0° |
H14 | C14 | C16 | C18 | 177.2° | 179.9° |
H14 | C14 | C16 | O2 | 7.6° | 0.1° |
C16 | C18 | C20 | H18 | 180.0° | 179.8° |
C16 | C18 | C20 | H20 | 177.2° | 180.0° |
C18 | C16 | O2 | C24 | 18.1° | 0.0° |
O2 | C16 | C18 | C20 | 171.3° | 179.7° |
O2 | C16 | C18 | H18 | 8.7° | 0.0° |
C16 | O2 | C24 | C34 | 162.2° | 180.0° |
C16 | O2 | C24 | H241 | 37.0° | 60.0° |
C16 | O2 | C24 | H242 | 72.6° | 60.0° |
H18 | C18 | C20 | H20 | 2.8° | 0.2° |
O2 | C24 | C34 | H241 | 125.2° | 120.0° |
O2 | C24 | C34 | H242 | 125.2° | 120.0° |
O2 | C24 | H241 | H242 | 115.5° | 120.0° |
O2 | C24 | C34 | N3 | 71.6° | 60.0° |
O2 | C24 | C34 | H341 | 163.1° | 180.0° |
O2 | C24 | C34 | H342 | 53.6° | 60.0° |
C34 | C24 | H241 | H242 | 115.5° | 120.0° |
C24 | C34 | N3 | C22 | 168.7° | 180.0° |
C24 | C34 | N3 | C28 | 63.7° | 64.1° |
C24 | C34 | N3 | H341 | 125.3° | 120.0° |
C24 | C34 | N3 | H342 | 125.3° | 120.0° |
C24 | C34 | H341 | H342 | 114.9° | 120.0° |
H241 | C24 | C34 | N3 | 53.6° | 60.0° |
H241 | C24 | C34 | H341 | 71.7° | 60.0° |
H241 | C24 | C34 | H342 | 178.8° | 180.0° |
H242 | C24 | C34 | N3 | 163.2° | 180.0° |
H242 | C24 | C34 | H341 | 37.9° | 60.0° |
H242 | C24 | C34 | H342 | 71.6° | 60.0° |
C13 | C11 | C21 | H11 | 180.0° | 179.7° |
C11 | C13 | C15 | C32 | 2.5° | 0.0° |
C11 | C13 | C15 | H15 | 177.5° | 180.0° |
C13 | C11 | C21 | C19 | 3.8° | 0.6° |
C13 | C11 | C21 | H21 | 176.2° | 180.0° |
C21 | C11 | C13 | C15 | 1.7° | 0.2° |
C11 | C21 | C19 | C32 | 8.2° | 0.7° |
C11 | C21 | C19 | H21 | 180.0° | 179.4° |
C11 | C21 | C19 | O3 | 165.5° | 179.8° |
H11 | C11 | C13 | C15 | 178.3° | 180.0° |
H11 | C11 | C21 | C19 | 176.2° | 179.7° |
H11 | C11 | C21 | H21 | 3.8° | 0.3° |
C13 | C15 | C32 | H15 | 180.0° | 179.9° |
C13 | C15 | C32 | C19 | 2.1° | 0.0° |
C13 | C15 | C32 | H32 | 178.0° | 179.9° |
C15 | C32 | C19 | H32 | 180.0° | 179.9° |
C15 | C32 | C19 | C21 | 7.2° | 0.4° |
C15 | C32 | C19 | O3 | 166.2° | 180.0° |
H15 | C15 | C32 | C19 | 177.9° | 179.9° |
H15 | C15 | C32 | H32 | 2.0° | 0.0° |
C32 | C19 | C21 | O3 | 173.7° | 179.6° |
C32 | C19 | C21 | H21 | 171.8° | 179.9° |
C32 | C19 | O3 | C25 | 141.9° | 179.9° |
H32 | C32 | C19 | C21 | 172.8° | 179.7° |
H32 | C32 | C19 | O3 | 13.7° | 0.2° |
C21 | C19 | O3 | C25 | 44.9° | 0.4° |
O3 | C19 | C21 | H21 | 14.5° | 0.3° |
C19 | O3 | C25 | C33 | 132.0° | 180.0° |
C19 | O3 | C25 | H251 | 6.7° | 60.0° |
C19 | O3 | C25 | H252 | 102.7° | 59.9° |
O3 | C25 | C33 | H251 | 125.3° | 120.0° |
O3 | C25 | C33 | H252 | 125.2° | 120.1° |
O3 | C25 | H251 | H252 | 115.9° | 120.0° |
O3 | C25 | C33 | N2 | 87.2° | 60.1° |
O3 | C25 | C33 | H331 | 147.5° | 60.0° |
O3 | C25 | C33 | H332 | 38.0° | 180.0° |
C33 | C25 | H251 | H252 | 115.9° | 120.0° |
C25 | C33 | N2 | C26 | 84.5° | 180.0° |
C25 | C33 | N2 | C27 | 114.5° | 69.0° |
C25 | C33 | N2 | H331 | 125.3° | 120.0° |
C25 | C33 | N2 | H332 | 125.2° | 120.0° |
C25 | C33 | H331 | H332 | 117.4° | 120.0° |
H251 | C25 | C33 | N2 | 38.0° | 180.0° |
H251 | C25 | C33 | H331 | 87.2° | 60.0° |
H251 | C25 | C33 | H332 | 163.3° | 60.0° |
H252 | C25 | C33 | N2 | 147.5° | 60.0° |
H252 | C25 | C33 | H331 | 22.3° | 180.0° |
H252 | C25 | C33 | H332 | 87.2° | 59.9° |
C23 | C17 | C27 | H171 | 125.3° | 118.9° |
C23 | C17 | C27 | H172 | 125.2° | 118.9° |
C23 | C17 | H171 | H172 | 117.8° | 122.1° |
C17 | C23 | C26 | H231 | 125.3° | 118.9° |
C17 | C23 | C26 | H232 | 125.3° | 118.8° |
C17 | C23 | H231 | H232 | 118.2° | 122.2° |
C17 | C23 | C26 | N2 | 5.0° | 23.9° |
C17 | C23 | C26 | H261 | 130.4° | 142.6° |
C17 | C23 | C26 | H262 | 120.3° | 94.9° |
C23 | C17 | C27 | N2 | 4.5° | 23.8° |
C23 | C17 | C27 | H271 | 120.7° | 94.9° |
C23 | C17 | C27 | H272 | 129.8° | 142.6° |
C27 | C17 | H171 | H172 | 118.0° | 122.2° |
C27 | C17 | C23 | C26 | 0.4° | 0.0° |
C27 | C17 | C23 | H231 | 124.9° | 118.9° |
C27 | C17 | C23 | H232 | 125.6° | 118.9° |
C17 | C27 | N2 | C26 | 8.3° | 39.4° |
C17 | C27 | N2 | H271 | 125.2° | 118.8° |
C17 | C27 | N2 | H272 | 125.3° | 118.8° |
C17 | C27 | N2 | C33 | 169.2° | 152.1° |
C17 | C27 | H271 | H272 | 121.1° | 122.5° |
H171 | C17 | C23 | C26 | 124.9° | 118.9° |
H171 | C17 | C23 | H231 | 109.8° | 122.2° |
H171 | C17 | C23 | H232 | 0.3° | 0.1° |
H171 | C17 | C27 | N2 | 129.8° | 142.7° |
H171 | C17 | C27 | H271 | 4.5° | 24.0° |
H171 | C17 | C27 | H272 | 105.0° | 98.5° |
H172 | C17 | C23 | C26 | 125.7° | 118.9° |
H172 | C17 | C23 | H231 | 0.4° | 0.0° |
H172 | C17 | C23 | H232 | 109.1° | 122.2° |
H172 | C17 | C27 | N2 | 120.7° | 95.1° |
H172 | C17 | C27 | H271 | 114.1° | 146.2° |
H172 | C17 | C27 | H272 | 4.6° | 23.7° |
C26 | C23 | H231 | H232 | 118.0° | 122.2° |
C23 | C26 | N2 | H261 | 125.3° | 118.8° |
C23 | C26 | N2 | H262 | 125.3° | 118.8° |
C23 | C26 | H261 | H262 | 120.7° | 122.4° |
C23 | C26 | N2 | C27 | 8.6° | 39.5° |
C23 | C26 | N2 | C33 | 171.7° | 152.2° |
H231 | C23 | C26 | N2 | 120.3° | 95.0° |
H231 | C23 | C26 | H261 | 5.1° | 23.7° |
H231 | C23 | C26 | H262 | 114.4° | 146.2° |
H232 | C23 | C26 | N2 | 130.3° | 142.7° |
H232 | C23 | C26 | H261 | 104.3° | 98.5° |
H232 | C23 | C26 | H262 | 5.0° | 23.9° |
N2 | C26 | H261 | H262 | 120.7° | 122.4° |
C26 | N2 | C27 | C33 | 160.9° | 112.7° |
C26 | N2 | C27 | H271 | 117.0° | 79.3° |
C26 | N2 | C27 | H272 | 133.5° | 158.3° |
C26 | N2 | C33 | H331 | 150.2° | 60.0° |
C26 | N2 | C33 | H332 | 40.7° | 60.0° |
H261 | C26 | N2 | C27 | 133.9° | 158.3° |
H261 | C26 | N2 | C33 | 63.0° | 89.0° |
H262 | C26 | N2 | C27 | 116.7° | 79.3° |
H262 | C26 | N2 | C33 | 46.4° | 33.4° |
N2 | C27 | H271 | H272 | 121.1° | 122.4° |
C27 | N2 | C33 | H331 | 10.8° | 171.0° |
C27 | N2 | C33 | H332 | 120.3° | 51.0° |
C33 | N2 | C27 | H271 | 44.0° | 33.4° |
C33 | N2 | C27 | H272 | 65.5° | 89.0° |
N2 | C33 | H331 | H332 | 117.4° | 120.0° |
N3 | C22 | C30 | H221 | 125.3° | 119.4° |
N3 | C22 | C30 | H222 | 125.3° | 119.4° |
N3 | C22 | H221 | H222 | 121.2° | 121.1° |
C22 | N3 | C28 | C34 | 127.4° | 114.7° |
C22 | N3 | C28 | C29 | 15.6° | 24.1° |
C22 | N3 | C28 | H281 | 109.7° | 94.7° |
C22 | N3 | C28 | H282 | 140.9° | 142.9° |
N3 | C22 | C30 | C29 | 18.3° | 22.3° |
N3 | C22 | C30 | H301 | 106.9° | 140.7° |
N3 | C22 | C30 | H302 | 143.6° | 96.1° |
C22 | N3 | C34 | H341 | 66.0° | 60.0° |
C22 | N3 | C34 | H342 | 43.4° | 60.0° |
C30 | C22 | H221 | H222 | 121.2° | 121.0° |
C30 | C22 | N3 | C28 | 21.5° | 1.0° |
C30 | C22 | N3 | C34 | 103.5° | 115.6° |
C22 | C30 | C29 | C28 | 10.3° | 35.7° |
C22 | C30 | C29 | H301 | 125.2° | 118.4° |
C22 | C30 | C29 | H302 | 125.2° | 118.5° |
C22 | C30 | C29 | H291 | 115.0° | 82.4° |
C22 | C30 | C29 | H292 | 135.5° | 153.8° |
C22 | C30 | H301 | H302 | 118.2° | 123.3° |
H221 | C22 | N3 | C28 | 146.8° | 120.4° |
H221 | C22 | N3 | C34 | 21.8° | 124.9° |
H221 | C22 | C30 | C29 | 143.6° | 97.1° |
H221 | C22 | C30 | H301 | 18.3° | 21.2° |
H221 | C22 | C30 | H302 | 91.1° | 144.5° |
H222 | C22 | N3 | C28 | 103.7° | 118.4° |
H222 | C22 | N3 | C34 | 131.2° | 3.8° |
H222 | C22 | C30 | C29 | 106.9° | 141.7° |
H222 | C22 | C30 | H301 | 127.8° | 99.9° |
H222 | C22 | C30 | H302 | 18.3° | 23.3° |
N3 | C28 | C29 | H281 | 125.2° | 118.9° |
N3 | C28 | C29 | H282 | 125.2° | 118.8° |
N3 | C28 | H281 | H282 | 120.9° | 122.3° |
N3 | C28 | C29 | C30 | 2.9° | 37.0° |
N3 | C28 | C29 | H291 | 128.1° | 81.0° |
N3 | C28 | C29 | H292 | 122.3° | 155.1° |
C28 | N3 | C34 | H341 | 61.6° | 175.9° |
C28 | N3 | C34 | H342 | 171.1° | 56.0° |
C34 | N3 | C28 | C29 | 111.8° | 138.8° |
C34 | N3 | C28 | H281 | 122.9° | 20.0° |
C34 | N3 | C28 | H282 | 13.5° | 102.4° |
N3 | C34 | H341 | H342 | 114.9° | 119.9° |
C29 | C28 | H281 | H282 | 121.0° | 122.3° |
C28 | C29 | C30 | H291 | 125.2° | 118.1° |
C28 | C29 | C30 | H292 | 125.2° | 118.1° |
C28 | C29 | H291 | H292 | 118.1° | 123.9° |
C28 | C29 | C30 | H301 | 115.0° | 154.1° |
C28 | C29 | C30 | H302 | 135.5° | 82.8° |
H281 | C28 | C29 | C30 | 122.3° | 81.8° |
H281 | C28 | C29 | H291 | 2.9° | 160.2° |
H281 | C28 | C29 | H292 | 112.4° | 36.3° |
H282 | C28 | C29 | C30 | 128.1° | 155.9° |
H282 | C28 | C29 | H291 | 106.7° | 37.8° |
H282 | C28 | C29 | H292 | 2.9° | 86.0° |
C30 | C29 | H291 | H292 | 118.0° | 123.8° |
C29 | C30 | H301 | H302 | 118.4° | 123.1° |
H291 | C29 | C30 | H301 | 119.8° | 36.0° |
H291 | C29 | C30 | H302 | 10.3° | 159.1° |
H292 | C29 | C30 | H301 | 10.3° | 87.8° |
H292 | C29 | C30 | H302 | 99.3° | 35.3° |