BZT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.46Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C3 | S1 | sing | 1.77Å | 1.72Å | Aromatic |
| C4 | C5 | doub | 1.42Å | 1.43Å | Aromatic |
| C4 | C9 | sing | 1.45Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| S1 | C8 | sing | 1.78Å | 1.65Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.45Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.51Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.48Å | |
| C7 | C13 | sing | 1.51Å | 1.63Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C10 | C12 | doub | 1.40Å | 1.47Å | Aromatic |
| C10 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C14 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C16 | C18 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | O2 | sing | 1.36Å | 1.43Å | |
| C18 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| O2 | C24 | sing | 1.43Å | 1.49Å | |
| C24 | C34 | sing | 1.53Å | 1.56Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C11 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C13 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C32 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C32 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | BR1 | sing | 1.89Å | 1.81Å | |
| C19 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C31 | sing | 1.51Å | 1.54Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C31 | N2 | sing | 1.47Å | 1.45Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C17 | C23 | sing | 1.55Å | 1.54Å | |
| C17 | C27 | sing | 1.55Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C23 | C26 | sing | 1.54Å | 1.58Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C26 | N2 | sing | 1.48Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| N2 | C27 | sing | 1.48Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C22 | N3 | sing | 1.47Å | 1.46Å | |
| C22 | C30 | sing | 1.54Å | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| N3 | C28 | sing | 1.48Å | 1.47Å | |
| N3 | C34 | sing | 1.47Å | 1.52Å | |
| 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 | 1.56Å | |
| 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 | |
| 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 | 117.0° | 119.5° |
| C2 | C1 | O1 | 123.2° | 120.3° |
| C1 | C2 | C3 | 123.1° | 119.5° |
| C1 | C2 | H2 | 119.6° | 120.3° |
| C6 | C1 | O1 | 119.8° | 120.2° |
| C1 | C6 | C5 | 120.3° | 121.4° |
| C1 | C6 | H6 | 118.7° | 119.3° |
| C1 | O1 | HO1 | 123.2° | 106.8° |
| C3 | C2 | H2 | 117.3° | 120.2° |
| C2 | C3 | C4 | 119.4° | 122.1° |
| C2 | C3 | S1 | 131.2° | 134.1° |
| C4 | C3 | S1 | 109.4° | 103.8° |
| C3 | C4 | C5 | 118.2° | 116.7° |
| C3 | C4 | C9 | 111.9° | 114.7° |
| C3 | S1 | C8 | 95.8° | 98.9° |
| C5 | C4 | C9 | 129.9° | 128.6° |
| C4 | C5 | C6 | 122.0° | 120.8° |
| C4 | C5 | H5 | 118.3° | 119.6° |
| C4 | C9 | C8 | 112.0° | 119.1° |
| C4 | C9 | C7 | 130.6° | 120.5° |
| C6 | C5 | H5 | 119.7° | 119.6° |
| C5 | C6 | H6 | 121.1° | 119.2° |
| S1 | C8 | C9 | 110.8° | 103.5° |
| S1 | C8 | C10 | 121.3° | 128.2° |
| C9 | C8 | C10 | 127.8° | 128.3° |
| C8 | C9 | C7 | 116.7° | 120.5° |
| C8 | C10 | C12 | 124.6° | 120.1° |
| C8 | C10 | C20 | 116.1° | 120.1° |
| C9 | C7 | C13 | 119.9° | 109.5° |
| C9 | C7 | H71 | 108.5° | 109.5° |
| C9 | C7 | H72 | 108.5° | 109.5° |
| C13 | C7 | H71 | 108.5° | 109.4° |
| C13 | C7 | H72 | 108.5° | 109.4° |
| C7 | C13 | C11 | 122.2° | 119.9° |
| C7 | C13 | C15 | 120.6° | 120.0° |
| H71 | C7 | H72 | 101.4° | 109.5° |
| C12 | C10 | C20 | 119.3° | 119.8° |
| C10 | C12 | C14 | 121.3° | 119.9° |
| C10 | C12 | H12 | 121.5° | 120.0° |
| C10 | C20 | C18 | 117.7° | 119.9° |
| C10 | C20 | H20 | 121.1° | 120.1° |
| C14 | C12 | H12 | 117.2° | 120.1° |
| C12 | C14 | C16 | 121.2° | 120.1° |
| C12 | C14 | H14 | 119.0° | 119.9° |
| C16 | C14 | H14 | 119.7° | 119.9° |
| C14 | C16 | C18 | 117.3° | 120.1° |
| C14 | C16 | O2 | 115.4° | 119.9° |
| C18 | C16 | O2 | 127.3° | 119.9° |
| C16 | C18 | C20 | 123.2° | 120.1° |
| C16 | C18 | H18 | 119.4° | 119.9° |
| C16 | O2 | C24 | 117.5° | 106.8° |
| C20 | C18 | H18 | 117.4° | 120.0° |
| C18 | C20 | H20 | 121.2° | 120.0° |
| O2 | C24 | C34 | 115.2° | 109.5° |
| O2 | C24 | H241 | 110.1° | 109.5° |
| O2 | C24 | H242 | 110.1° | 109.5° |
| C34 | C24 | H241 | 110.1° | 109.5° |
| C34 | C24 | H242 | 110.1° | 109.5° |
| C24 | C34 | N3 | 115.7° | 109.5° |
| C24 | C34 | H341 | 110.0° | 109.4° |
| C24 | C34 | H342 | 110.0° | 109.5° |
| H241 | C24 | H242 | 100.2° | 109.5° |
| C13 | C11 | C21 | 120.3° | 120.0° |
| C13 | C11 | H11 | 120.6° | 120.0° |
| C11 | C13 | C15 | 117.1° | 120.1° |
| C21 | C11 | H11 | 119.1° | 120.0° |
| C11 | C21 | C19 | 124.7° | 120.0° |
| C11 | C21 | H21 | 116.8° | 120.0° |
| C13 | C15 | C32 | 121.0° | 120.0° |
| C13 | C15 | H15 | 118.7° | 120.1° |
| C32 | C15 | H15 | 120.3° | 120.0° |
| C15 | C32 | C19 | 121.9° | 120.0° |
| C15 | C32 | BR1 | 112.3° | 120.0° |
| C19 | C32 | BR1 | 125.8° | 120.0° |
| C32 | C19 | C21 | 115.0° | 120.0° |
| C32 | C19 | C31 | 126.6° | 120.0° |
| C21 | C19 | C31 | 118.4° | 120.0° |
| C19 | C21 | H21 | 118.5° | 120.0° |
| C19 | C31 | N2 | 115.4° | 109.4° |
| C19 | C31 | H311 | 110.0° | 109.5° |
| C19 | C31 | H312 | 110.0° | 109.4° |
| N2 | C31 | H311 | 110.1° | 109.5° |
| N2 | C31 | H312 | 110.0° | 109.5° |
| C31 | N2 | C26 | 118.5° | 106.7° |
| C31 | N2 | C27 | 123.2° | 106.7° |
| H311 | C31 | H312 | 100.2° | 109.5° |
| C23 | C17 | C27 | 108.9° | 101.7° |
| C23 | C17 | H171 | 112.4° | 111.0° |
| C23 | C17 | H172 | 112.4° | 111.0° |
| C17 | C23 | C26 | 97.7° | 103.0° |
| C17 | C23 | H231 | 116.8° | 110.7° |
| C17 | C23 | H232 | 116.8° | 110.7° |
| C27 | C17 | H171 | 112.4° | 111.0° |
| C27 | C17 | H172 | 112.4° | 111.0° |
| C17 | C27 | N2 | 100.7° | 104.8° |
| C17 | C27 | H271 | 115.6° | 110.3° |
| C17 | C27 | H272 | 115.6° | 110.4° |
| H171 | C17 | H172 | 98.0° | 110.9° |
| C26 | C23 | H231 | 116.8° | 110.7° |
| C26 | C23 | H232 | 116.8° | 110.7° |
| C23 | C26 | N2 | 105.7° | 107.2° |
| C23 | C26 | H261 | 113.6° | 109.9° |
| C23 | C26 | H262 | 113.6° | 109.9° |
| H231 | C23 | H232 | 93.6° | 110.8° |
| N2 | C26 | H261 | 113.6° | 109.9° |
| N2 | C26 | H262 | 113.6° | 109.9° |
| C26 | N2 | C27 | 96.2° | 108.5° |
| H261 | C26 | H262 | 96.8° | 110.0° |
| N2 | C27 | H271 | 115.6° | 110.4° |
| N2 | C27 | H272 | 115.5° | 110.4° |
| H271 | C27 | H272 | 94.9° | 110.4° |
| N3 | C22 | C30 | 100.1° | 107.2° |
| N3 | C22 | H221 | 115.9° | 109.9° |
| N3 | C22 | H222 | 115.9° | 109.9° |
| C22 | N3 | C28 | 100.9° | 108.6° |
| C22 | N3 | C34 | 114.9° | 106.7° |
| C30 | C22 | H221 | 115.8° | 109.9° |
| C30 | C22 | H222 | 115.8° | 109.9° |
| C22 | C30 | C29 | 101.4° | 103.0° |
| C22 | C30 | H301 | 115.3° | 110.7° |
| C22 | C30 | H302 | 115.3° | 110.7° |
| H221 | C22 | H222 | 94.6° | 110.0° |
| C28 | N3 | C34 | 114.5° | 106.7° |
| N3 | C28 | C29 | 99.2° | 104.7° |
| N3 | C28 | H281 | 116.2° | 110.4° |
| N3 | C28 | H282 | 116.2° | 110.3° |
| N3 | C34 | H341 | 110.0° | 109.5° |
| N3 | C34 | H342 | 109.9° | 109.5° |
| C29 | C28 | H281 | 116.2° | 110.4° |
| C29 | C28 | H282 | 116.1° | 110.4° |
| C28 | C29 | C30 | 104.9° | 101.7° |
| C28 | C29 | H291 | 114.0° | 111.0° |
| C28 | C29 | H292 | 114.0° | 110.9° |
| H281 | C28 | H282 | 94.3° | 110.4° |
| C30 | C29 | H291 | 113.9° | 111.0° |
| C30 | C29 | H292 | 113.9° | 111.0° |
| C29 | C30 | H301 | 115.3° | 110.7° |
| C29 | C30 | H302 | 115.3° | 110.7° |
| H291 | C29 | H292 | 96.5° | 110.9° |
| H301 | C30 | H302 | 95.1° | 110.8° |
| H341 | C34 | H342 | 100.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 179.8° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C1 | C2 | C3 | S1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| C2 | C1 | O1 | HO1 | 180.0° | 90.2° |
| C6 | C1 | C2 | C3 | 0.1° | 0.6° |
| C6 | C1 | C2 | H2 | 179.9° | 179.6° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.6° | 180.0° |
| C6 | C1 | O1 | HO1 | 0.3° | 90.1° |
| O1 | C1 | C2 | C3 | 179.8° | 179.7° |
| O1 | C1 | C2 | H2 | 0.2° | 0.1° |
| O1 | C1 | C6 | C5 | 180.0° | 179.9° |
| O1 | C1 | C6 | H6 | 0.1° | 0.0° |
| C2 | C3 | C4 | S1 | 179.9° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | C9 | 179.3° | 179.8° |
| C2 | C3 | S1 | C8 | 179.8° | 179.8° |
| H2 | C2 | C3 | C4 | 179.9° | 179.6° |
| H2 | C2 | C3 | S1 | 0.0° | 0.1° |
| C3 | C4 | C5 | C9 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C3 | S1 | C8 | 0.1° | 0.0° |
| C3 | C4 | C9 | C8 | 1.0° | 0.0° |
| C3 | C4 | C9 | C7 | 169.2° | 180.0° |
| S1 | C3 | C4 | C5 | 179.9° | 180.0° |
| S1 | C3 | C4 | C9 | 0.6° | 0.0° |
| C3 | S1 | C8 | C9 | 0.5° | 0.1° |
| C3 | S1 | C8 | C10 | 179.3° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C9 | C8 | 179.6° | 180.0° |
| C5 | C4 | C9 | C7 | 10.3° | 0.0° |
| C9 | C4 | C5 | C6 | 179.1° | 180.0° |
| C9 | C4 | C5 | H5 | 1.0° | 0.1° |
| C4 | C9 | C8 | S1 | 0.9° | 0.1° |
| C4 | C9 | C8 | C7 | 171.6° | 180.0° |
| C4 | C9 | C8 | C10 | 179.7° | 180.0° |
| C4 | C9 | C7 | C13 | 96.6° | 89.9° |
| C4 | C9 | C7 | H71 | 138.2° | 150.1° |
| C4 | C9 | C7 | H72 | 28.7° | 30.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| S1 | C8 | C9 | C10 | 178.8° | 179.9° |
| S1 | C8 | C9 | C7 | 170.7° | 180.0° |
| S1 | C8 | C10 | C12 | 136.5° | 50.4° |
| S1 | C8 | C10 | C20 | 44.6° | 129.3° |
| C8 | C9 | C7 | C13 | 73.2° | 90.0° |
| C8 | C9 | C7 | H71 | 52.1° | 30.0° |
| C8 | C9 | C7 | H72 | 161.5° | 150.1° |
| C9 | C8 | C10 | C12 | 44.8° | 129.7° |
| C9 | C8 | C10 | C20 | 134.1° | 50.5° |
| C10 | C8 | C9 | C7 | 8.1° | 0.1° |
| C8 | C10 | C12 | C20 | 178.9° | 179.7° |
| C8 | C10 | C12 | C14 | 178.8° | 180.0° |
| C8 | C10 | C12 | H12 | 1.2° | 0.0° |
| C8 | C10 | C20 | C18 | 179.0° | 179.8° |
| C8 | C10 | C20 | H20 | 1.0° | 0.2° |
| C9 | C7 | C13 | H71 | 125.3° | 120.0° |
| C9 | C7 | C13 | H72 | 125.3° | 120.0° |
| C9 | C7 | H71 | H72 | 114.1° | 120.1° |
| C9 | C7 | C13 | C11 | 1.9° | 90.0° |
| C9 | C7 | C13 | C15 | 176.8° | 90.2° |
| C13 | C7 | H71 | H72 | 114.1° | 119.9° |
| C7 | C13 | C11 | C15 | 178.7° | 179.8° |
| C7 | C13 | C11 | C21 | 179.2° | 180.0° |
| C7 | C13 | C11 | H11 | 0.8° | 0.0° |
| C7 | C13 | C15 | C32 | 178.7° | 179.7° |
| C7 | C13 | C15 | H15 | 1.3° | 0.2° |
| H71 | C7 | C13 | C11 | 127.2° | 30.1° |
| H71 | C7 | C13 | C15 | 51.5° | 149.7° |
| H72 | C7 | C13 | C11 | 123.4° | 150.1° |
| H72 | C7 | C13 | C15 | 57.9° | 29.7° |
| C10 | C12 | C14 | H12 | 180.0° | 180.0° |
| C10 | C12 | C14 | C16 | 0.1° | 0.1° |
| C10 | C12 | C14 | H14 | 180.0° | 180.0° |
| C12 | C10 | C20 | C18 | 0.0° | 0.5° |
| C12 | C10 | C20 | H20 | 180.0° | 179.9° |
| C20 | C10 | C12 | C14 | 0.2° | 0.2° |
| C20 | C10 | C12 | H12 | 179.9° | 179.8° |
| C10 | C20 | C18 | C16 | 0.3° | 0.5° |
| C10 | C20 | C18 | H20 | 180.0° | 179.6° |
| C10 | C20 | C18 | H18 | 179.8° | 179.7° |
| C12 | C14 | C16 | H14 | 180.0° | 179.9° |
| C12 | C14 | C16 | C18 | 0.3° | 0.1° |
| C12 | C14 | C16 | O2 | 179.6° | 180.0° |
| H12 | C12 | C14 | C16 | 179.9° | 179.9° |
| H12 | C12 | C14 | H14 | 0.1° | 0.0° |
| C14 | C16 | C18 | O2 | 179.9° | 179.9° |
| C14 | C16 | C18 | C20 | 0.5° | 0.2° |
| C14 | C16 | C18 | H18 | 179.6° | 180.0° |
| C14 | C16 | O2 | C24 | 180.0° | 180.0° |
| H14 | C14 | C16 | C18 | 179.7° | 180.0° |
| H14 | C14 | C16 | O2 | 0.4° | 0.1° |
| C16 | C18 | C20 | H18 | 180.0° | 179.8° |
| C16 | C18 | C20 | H20 | 179.7° | 180.0° |
| C18 | C16 | O2 | C24 | 0.0° | 0.1° |
| O2 | C16 | C18 | C20 | 179.5° | 179.7° |
| O2 | C16 | C18 | H18 | 0.5° | 0.1° |
| C16 | O2 | C24 | C34 | 179.5° | 180.0° |
| C16 | O2 | C24 | H241 | 54.3° | 60.1° |
| C16 | O2 | C24 | H242 | 55.2° | 59.9° |
| H18 | C18 | C20 | H20 | 0.3° | 0.2° |
| O2 | C24 | C34 | H241 | 125.2° | 120.0° |
| O2 | C24 | C34 | H242 | 125.2° | 120.0° |
| O2 | C24 | H241 | H242 | 116.0° | 120.0° |
| O2 | C24 | C34 | N3 | 88.9° | 60.0° |
| O2 | C24 | C34 | H341 | 145.8° | 180.0° |
| O2 | C24 | C34 | H342 | 36.4° | 60.0° |
| C34 | C24 | H241 | H242 | 116.0° | 120.0° |
| C24 | C34 | N3 | C22 | 134.4° | 180.0° |
| C24 | C34 | N3 | C28 | 109.4° | 64.1° |
| C24 | C34 | N3 | H341 | 125.3° | 120.0° |
| C24 | C34 | N3 | H342 | 125.3° | 120.0° |
| C24 | C34 | H341 | H342 | 115.8° | 120.0° |
| H241 | C24 | C34 | N3 | 36.3° | 60.0° |
| H241 | C24 | C34 | H341 | 89.0° | 60.0° |
| H241 | C24 | C34 | H342 | 161.6° | NaN° |
| H242 | C24 | C34 | N3 | 145.9° | 180.0° |
| H242 | C24 | C34 | H341 | 20.6° | 60.0° |
| H242 | C24 | C34 | H342 | 88.8° | 60.0° |
| C13 | C11 | C21 | H11 | 180.0° | 179.9° |
| C11 | C13 | C15 | C32 | 0.0° | 0.4° |
| C11 | C13 | C15 | H15 | 180.0° | 180.0° |
| C13 | C11 | C21 | C19 | 0.6° | 0.1° |
| C13 | C11 | C21 | H21 | 179.4° | 180.0° |
| C21 | C11 | C13 | C15 | 0.4° | 0.2° |
| C11 | C21 | C19 | C32 | 0.2° | 0.0° |
| C11 | C21 | C19 | H21 | 180.0° | 179.9° |
| C11 | C21 | C19 | C31 | 179.9° | 180.0° |
| H11 | C11 | C13 | C15 | 179.5° | 179.8° |
| H11 | C11 | C21 | C19 | 179.4° | 180.0° |
| H11 | C11 | C21 | H21 | 0.6° | 0.1° |
| C13 | C15 | C32 | H15 | 180.0° | 179.5° |
| C13 | C15 | C32 | C19 | 0.4° | 0.5° |
| C13 | C15 | C32 | BR1 | 179.5° | 179.8° |
| C15 | C32 | C19 | BR1 | 180.0° | 179.7° |
| C15 | C32 | C19 | C21 | 0.3° | 0.3° |
| C15 | C32 | C19 | C31 | 179.6° | 179.7° |
| H15 | C15 | C32 | C19 | 179.6° | 180.0° |
| H15 | C15 | C32 | BR1 | 0.5° | 0.2° |
| C32 | C19 | C21 | C31 | 179.9° | 180.0° |
| C32 | C19 | C21 | H21 | 179.8° | 179.9° |
| C32 | C19 | C31 | N2 | 103.0° | 60.0° |
| C32 | C19 | C31 | H311 | 131.7° | 60.0° |
| C32 | C19 | C31 | H312 | 22.2° | 180.0° |
| BR1 | C32 | C19 | C21 | 179.7° | 180.0° |
| BR1 | C32 | C19 | C31 | 0.5° | 0.0° |
| C21 | C19 | C31 | N2 | 76.9° | 120.0° |
| C21 | C19 | C31 | H311 | 48.4° | 120.0° |
| C21 | C19 | C31 | H312 | 157.9° | 0.0° |
| C31 | C19 | C21 | H21 | 0.1° | 0.1° |
| C19 | C31 | N2 | H311 | 125.3° | 120.0° |
| C19 | C31 | N2 | H312 | 125.2° | 119.9° |
| C19 | C31 | H311 | H312 | 115.8° | 120.0° |
| C19 | C31 | N2 | C26 | 59.7° | 180.0° |
| C19 | C31 | N2 | C27 | 179.9° | 64.1° |
| N2 | C31 | H311 | H312 | 115.9° | 120.0° |
| C31 | N2 | C27 | C17 | 179.7° | 138.7° |
| C31 | N2 | C26 | C23 | 172.8° | 115.7° |
| C31 | N2 | C26 | C27 | 133.4° | 114.7° |
| C31 | N2 | C26 | H261 | 47.5° | 125.0° |
| C31 | N2 | C26 | H262 | 61.9° | 3.8° |
| C31 | N2 | C27 | H271 | 55.1° | 19.9° |
| C31 | N2 | C27 | H272 | 54.3° | 102.4° |
| H311 | C31 | N2 | C26 | 175.1° | 60.0° |
| H311 | C31 | N2 | C27 | 54.9° | 175.9° |
| H312 | C31 | N2 | C26 | 65.6° | 60.0° |
| H312 | C31 | N2 | C27 | 54.6° | 55.9° |
| C23 | C17 | C27 | H171 | 125.3° | 118.1° |
| C23 | C17 | C27 | H172 | 125.3° | 118.1° |
| C23 | C17 | H171 | H172 | 118.3° | 123.9° |
| C17 | C23 | C26 | H231 | 125.3° | 118.4° |
| C17 | C23 | C26 | H232 | 125.3° | 118.4° |
| C17 | C23 | H231 | H232 | 122.5° | 123.2° |
| C17 | C23 | C26 | N2 | 33.0° | 22.3° |
| C17 | C23 | C26 | H261 | 158.3° | 97.1° |
| C17 | C23 | C26 | H262 | 92.3° | 141.7° |
| C23 | C17 | C27 | N2 | 32.6° | 37.1° |
| C23 | C17 | C27 | H271 | 92.7° | 81.7° |
| C23 | C17 | C27 | H272 | 157.8° | 155.9° |
| C27 | C17 | H171 | H172 | 118.3° | 123.8° |
| C27 | C17 | C23 | C26 | 0.2° | 35.6° |
| C27 | C17 | C23 | H231 | 125.1° | 154.0° |
| C27 | C17 | C23 | H232 | 125.4° | 82.7° |
| C17 | C27 | N2 | C26 | 50.2° | 24.1° |
| C17 | C27 | N2 | H271 | 125.3° | 118.8° |
| C17 | C27 | N2 | H272 | 125.3° | 118.9° |
| C17 | C27 | H271 | H272 | 121.4° | 122.3° |
| H171 | C17 | C23 | C26 | 125.1° | 82.4° |
| H171 | C17 | C23 | H231 | 109.7° | 35.9° |
| H171 | C17 | C23 | H232 | 0.2° | 159.2° |
| H171 | C17 | C27 | N2 | 157.8° | 81.0° |
| H171 | C17 | C27 | H271 | 32.6° | 160.2° |
| H171 | C17 | C27 | H272 | 76.9° | 37.8° |
| H172 | C17 | C23 | C26 | 125.5° | 153.8° |
| H172 | C17 | C23 | H231 | 0.2° | 87.9° |
| H172 | C17 | C23 | H232 | 109.3° | 35.4° |
| H172 | C17 | C27 | N2 | 92.7° | 155.2° |
| H172 | C17 | C27 | H271 | 142.0° | 36.4° |
| H172 | C17 | C27 | H272 | 32.5° | 85.9° |
| C26 | C23 | H231 | H232 | 122.5° | 123.2° |
| C23 | C26 | N2 | H261 | 125.3° | 119.4° |
| C23 | C26 | N2 | H262 | 125.3° | 119.4° |
| C23 | C26 | H261 | H262 | 119.5° | 121.1° |
| C23 | C26 | N2 | C27 | 53.9° | 1.0° |
| H231 | C23 | C26 | N2 | 92.3° | 140.7° |
| H231 | C23 | C26 | H261 | 33.0° | 21.3° |
| H231 | C23 | C26 | H262 | 142.4° | 99.9° |
| H232 | C23 | C26 | N2 | 158.2° | 96.1° |
| H232 | C23 | C26 | H261 | 76.5° | 144.5° |
| H232 | C23 | C26 | H262 | 32.9° | 23.3° |
| N2 | C26 | H261 | H262 | 119.5° | 121.1° |
| C26 | N2 | C27 | H271 | 75.1° | 94.7° |
| C26 | N2 | C27 | H272 | 175.5° | 143.0° |
| H261 | C26 | N2 | C27 | 179.2° | 120.4° |
| H262 | C26 | N2 | C27 | 71.4° | 118.4° |
| N2 | C27 | H271 | H272 | 121.4° | 122.3° |
| N3 | C22 | C30 | H221 | 125.3° | 119.4° |
| N3 | C22 | C30 | H222 | 125.3° | 119.4° |
| N3 | C22 | H221 | H222 | 121.7° | 121.1° |
| C22 | N3 | C28 | C34 | 124.0° | 114.6° |
| C22 | N3 | C28 | C29 | 55.1° | 24.1° |
| C22 | N3 | C28 | H281 | 179.6° | 94.7° |
| C22 | N3 | C28 | H282 | 70.1° | 143.0° |
| N3 | C22 | C30 | C29 | 32.9° | 22.3° |
| N3 | C22 | C30 | H301 | 158.2° | 140.6° |
| N3 | C22 | C30 | H302 | 92.4° | 96.1° |
| C22 | N3 | C34 | H341 | 100.2° | 60.0° |
| C22 | N3 | C34 | H342 | 9.2° | 60.0° |
| C30 | C22 | H221 | H222 | 121.6° | 121.1° |
| C30 | C22 | N3 | C28 | 55.8° | 1.1° |
| C30 | C22 | N3 | C34 | 179.5° | 115.7° |
| C22 | C30 | C29 | C28 | 0.2° | 35.7° |
| C22 | C30 | C29 | H301 | 125.3° | 118.4° |
| C22 | C30 | C29 | H302 | 125.3° | 118.4° |
| C22 | C30 | C29 | H291 | 125.5° | 82.4° |
| C22 | C30 | C29 | H292 | 125.1° | 153.7° |
| C22 | C30 | H301 | H302 | 121.1° | 123.2° |
| H221 | C22 | N3 | C28 | 69.5° | 120.4° |
| H221 | C22 | N3 | C34 | 54.3° | 125.0° |
| H221 | C22 | C30 | C29 | 92.4° | 97.1° |
| H221 | C22 | C30 | H301 | 32.9° | 21.3° |
| H221 | C22 | C30 | H302 | 142.3° | 144.5° |
| H222 | C22 | N3 | C28 | 179.0° | 118.4° |
| H222 | C22 | N3 | C34 | 55.3° | 3.8° |
| H222 | C22 | C30 | C29 | 158.2° | 141.7° |
| H222 | C22 | C30 | H301 | 76.6° | 99.9° |
| H222 | C22 | C30 | H302 | 32.9° | 23.3° |
| N3 | C28 | C29 | H281 | 125.2° | 118.9° |
| N3 | C28 | C29 | H282 | 125.2° | 118.8° |
| N3 | C28 | H281 | H282 | 122.0° | 122.3° |
| N3 | C28 | C29 | C30 | 32.3° | 37.1° |
| N3 | C28 | C29 | H291 | 93.0° | 81.0° |
| N3 | C28 | C29 | H292 | 157.5° | 155.2° |
| C28 | N3 | C34 | H341 | 15.9° | 175.9° |
| C28 | N3 | C34 | H342 | 125.3° | 55.9° |
| C34 | N3 | C28 | C29 | 179.1° | 138.8° |
| C34 | N3 | C28 | H281 | 55.6° | 19.9° |
| C34 | N3 | C28 | H282 | 53.9° | 102.4° |
| N3 | C34 | H341 | H342 | 115.7° | 120.0° |
| C29 | C28 | H281 | H282 | 122.0° | 122.4° |
| C28 | C29 | C30 | H291 | 125.3° | 118.1° |
| C28 | C29 | C30 | H292 | 125.3° | 118.1° |
| C28 | C29 | H291 | H292 | 119.9° | 123.8° |
| C28 | C29 | C30 | H301 | 125.5° | 154.1° |
| C28 | C29 | C30 | H302 | 125.1° | 82.7° |
| H281 | C28 | C29 | C30 | 157.5° | 81.8° |
| H281 | C28 | C29 | H291 | 32.3° | 160.1° |
| H281 | C28 | C29 | H292 | 77.3° | 36.4° |
| H282 | C28 | C29 | C30 | 92.9° | 155.9° |
| H282 | C28 | C29 | H291 | 141.8° | 37.7° |
| H282 | C28 | C29 | H292 | 32.3° | 86.0° |
| C30 | C29 | H291 | H292 | 119.8° | 123.9° |
| C29 | C30 | H301 | H302 | 121.1° | 123.2° |
| H291 | C29 | C30 | H301 | 109.2° | 36.0° |
| H291 | C29 | C30 | H302 | 0.2° | 159.2° |
| H292 | C29 | C30 | H301 | 0.2° | 87.9° |
| H292 | C29 | C30 | H302 | 109.6° | 35.4° |
