BT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.56Å | 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 | 1.41Å | 1.45Å | Aromatic |
| C4 | C9 | sing | 1.47Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.58Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| S1 | C8 | sing | 1.78Å | 1.71Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.44Å | Aromatic |
| C8 | C10 | sing | 1.47Å | 1.52Å | Aromatic |
| C9 | C7 | sing | 1.46Å | 1.42Å | |
| C7 | C13 | sing | 1.48Å | 1.53Å | |
| C7 | O1 | doub | 1.22Å | 1.24Å | |
| C10 | C12 | sing | 1.40Å | 1.47Å | Aromatic |
| C10 | C20 | doub | 1.40Å | 1.48Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.52Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C14 | C16 | sing | 1.39Å | 1.53Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C16 | C18 | doub | 1.39Å | 1.54Å | Aromatic |
| C16 | O2 | sing | 1.36Å | 1.42Å | |
| C18 | C20 | sing | 1.38Å | 1.54Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| O2 | C24 | sing | 1.43Å | 1.48Å | |
| C24 | C34 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C11 | C13 | sing | 1.40Å | 1.55Å | Aromatic |
| C11 | C21 | doub | 1.38Å | 1.54Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C13 | C15 | doub | 1.39Å | 1.55Å | Aromatic |
| C15 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| N1 | C19 | doub | 1.32Å | 1.47Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.54Å | Aromatic |
| C19 | O3 | sing | 1.36Å | 1.43Å | |
| 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 | 1.55Å | 1.51Å | |
| C17 | C27 | sing | 1.55Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| 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 | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| N2 | C27 | sing | 1.48Å | 1.52Å | |
| N2 | C33 | sing | 1.47Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C22 | N3 | sing | 1.47Å | 1.51Å | |
| C22 | C30 | sing | 1.54Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| N3 | C28 | sing | 1.48Å | 1.52Å | |
| N3 | C34 | sing | 1.47Å | 1.49Å | |
| C28 | C29 | sing | 1.55Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| 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 | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.1° | 119.4° |
| C2 | C1 | H1 | 122.4° | 120.3° |
| C1 | C2 | C3 | 121.0° | 119.7° |
| C1 | C2 | H2 | 122.2° | 120.1° |
| C6 | C1 | H1 | 120.5° | 120.3° |
| C1 | C6 | C5 | 117.9° | 121.3° |
| C1 | C6 | H6 | 119.3° | 119.3° |
| C3 | C2 | H2 | 116.8° | 120.2° |
| C2 | C3 | C4 | 122.5° | 122.1° |
| C2 | C3 | S1 | 127.4° | 133.5° |
| C4 | C3 | S1 | 109.9° | 104.4° |
| C3 | C4 | C5 | 118.9° | 116.8° |
| C3 | C4 | C9 | 109.9° | 115.0° |
| C3 | S1 | C8 | 97.8° | 99.3° |
| C5 | C4 | C9 | 131.1° | 128.2° |
| C4 | C5 | C6 | 122.5° | 120.7° |
| C4 | C5 | H5 | 114.0° | 119.6° |
| C4 | C9 | C8 | 114.4° | 117.9° |
| C4 | C9 | C7 | 121.5° | 121.0° |
| C6 | C5 | H5 | 123.5° | 119.7° |
| C5 | C6 | H6 | 122.8° | 119.4° |
| S1 | C8 | C9 | 107.6° | 103.4° |
| S1 | C8 | C10 | 124.9° | 128.3° |
| C9 | C8 | C10 | 127.1° | 128.3° |
| C8 | C9 | C7 | 123.0° | 121.1° |
| C8 | C10 | C12 | 117.2° | 120.1° |
| C8 | C10 | C20 | 125.1° | 120.1° |
| C9 | C7 | C13 | 128.6° | 120.0° |
| C9 | C7 | O1 | 113.8° | 120.0° |
| C13 | C7 | O1 | 117.6° | 120.0° |
| C7 | C13 | C11 | 120.3° | 120.5° |
| C7 | C13 | C15 | 123.7° | 120.6° |
| C12 | C10 | C20 | 117.5° | 119.8° |
| C10 | C12 | C14 | 123.5° | 119.9° |
| C10 | C12 | H12 | 116.6° | 120.0° |
| C10 | C20 | C18 | 122.4° | 119.9° |
| C10 | C20 | H20 | 116.8° | 120.1° |
| C14 | C12 | H12 | 119.8° | 120.1° |
| C12 | C14 | C16 | 119.6° | 120.1° |
| C12 | C14 | H14 | 119.8° | 119.9° |
| C16 | C14 | H14 | 120.6° | 120.0° |
| C14 | C16 | C18 | 117.6° | 120.3° |
| C14 | C16 | O2 | 123.3° | 119.9° |
| C18 | C16 | O2 | 119.1° | 119.9° |
| C16 | C18 | C20 | 119.2° | 120.1° |
| C16 | C18 | H18 | 120.2° | 120.0° |
| C16 | O2 | C24 | 120.0° | 106.8° |
| C20 | C18 | H18 | 120.6° | 119.9° |
| C18 | C20 | H20 | 120.8° | 120.0° |
| O2 | C24 | C34 | 113.7° | 109.5° |
| O2 | C24 | H241 | 110.6° | 109.4° |
| O2 | C24 | H242 | 110.7° | 109.4° |
| C34 | C24 | H241 | 110.7° | 109.5° |
| C34 | C24 | H242 | 110.7° | 109.5° |
| C24 | C34 | N3 | 114.1° | 109.5° |
| C24 | C34 | H341 | 110.5° | 109.5° |
| C24 | C34 | H342 | 110.5° | 109.4° |
| H241 | C24 | H242 | 99.7° | 109.4° |
| C13 | C11 | C21 | 118.9° | 118.4° |
| C13 | C11 | H11 | 120.7° | 120.9° |
| C11 | C13 | C15 | 115.9° | 119.0° |
| C21 | C11 | H11 | 120.4° | 120.7° |
| C11 | C21 | C19 | 120.3° | 119.2° |
| C11 | C21 | H21 | 119.8° | 120.4° |
| C13 | C15 | N1 | 122.7° | 120.7° |
| C13 | C15 | H15 | 123.9° | 119.7° |
| N1 | C15 | H15 | 113.4° | 119.7° |
| C15 | N1 | C19 | 125.0° | 121.8° |
| N1 | C19 | C21 | 116.8° | 121.0° |
| N1 | C19 | O3 | 125.1° | 119.5° |
| C21 | C19 | O3 | 118.0° | 119.5° |
| C19 | C21 | H21 | 119.9° | 120.4° |
| C19 | O3 | C25 | 114.0° | 106.8° |
| O3 | C25 | C33 | 115.0° | 109.5° |
| O3 | C25 | H251 | 110.2° | 109.4° |
| O3 | C25 | H252 | 110.2° | 109.5° |
| C33 | C25 | H251 | 110.2° | 109.5° |
| C33 | C25 | H252 | 110.2° | 109.5° |
| C25 | C33 | N2 | 112.3° | 109.5° |
| C25 | C33 | H331 | 111.2° | 109.5° |
| C25 | C33 | H332 | 111.1° | 109.5° |
| H251 | C25 | H252 | 100.1° | 109.5° |
| C23 | C17 | C27 | 108.1° | 101.7° |
| C23 | C17 | H171 | 112.7° | 111.0° |
| C23 | C17 | H172 | 112.7° | 111.0° |
| C17 | C23 | C26 | 109.1° | 103.0° |
| C17 | C23 | H231 | 112.4° | 110.7° |
| C17 | C23 | H232 | 112.4° | 110.8° |
| C27 | C17 | H171 | 112.8° | 111.0° |
| C27 | C17 | H172 | 112.8° | 111.0° |
| C17 | C27 | N2 | 105.7° | 104.8° |
| C17 | C27 | H271 | 113.6° | 110.4° |
| C17 | C27 | H272 | 113.6° | 110.4° |
| H171 | C17 | H172 | 97.7° | 110.9° |
| C26 | C23 | H231 | 112.3° | 110.7° |
| C26 | C23 | H232 | 112.3° | 110.7° |
| C23 | C26 | N2 | 104.3° | 107.2° |
| C23 | C26 | H261 | 114.2° | 109.9° |
| C23 | C26 | H262 | 114.2° | 109.9° |
| H231 | C23 | H232 | 98.1° | 110.8° |
| N2 | C26 | H261 | 114.2° | 109.9° |
| N2 | C26 | H262 | 114.2° | 109.9° |
| C26 | N2 | C27 | 109.8° | 108.6° |
| C26 | N2 | C33 | 102.2° | 106.7° |
| H261 | C26 | H262 | 96.3° | 110.0° |
| C27 | N2 | C33 | 116.1° | 106.7° |
| N2 | C27 | H271 | 113.6° | 110.4° |
| N2 | C27 | H272 | 113.6° | 110.4° |
| N2 | C33 | H331 | 111.2° | 109.5° |
| N2 | C33 | H332 | 111.2° | 109.5° |
| H271 | C27 | H272 | 96.9° | 110.4° |
| N3 | C22 | C30 | 103.3° | 107.2° |
| N3 | C22 | H221 | 114.5° | 109.9° |
| N3 | C22 | H222 | 114.6° | 109.9° |
| C22 | N3 | C28 | 114.0° | 108.6° |
| C22 | N3 | C34 | 121.6° | 106.7° |
| C30 | C22 | H221 | 114.5° | 109.9° |
| C30 | C22 | H222 | 114.5° | 109.9° |
| C22 | C30 | C29 | 109.6° | 103.0° |
| C22 | C30 | H301 | 112.2° | 110.7° |
| C22 | C30 | H302 | 112.2° | 110.7° |
| H221 | C22 | H222 | 96.0° | 110.0° |
| C28 | N3 | C34 | 120.3° | 106.7° |
| N3 | C28 | C29 | 103.9° | 104.8° |
| N3 | C28 | H281 | 114.4° | 110.4° |
| N3 | C28 | H282 | 114.4° | 110.3° |
| N3 | C34 | H341 | 110.5° | 109.5° |
| N3 | C34 | H342 | 110.5° | 109.5° |
| C29 | C28 | H281 | 114.3° | 110.4° |
| C29 | C28 | H282 | 114.3° | 110.4° |
| C28 | C29 | C30 | 108.7° | 101.7° |
| C28 | C29 | H291 | 112.5° | 111.0° |
| C28 | C29 | H292 | 112.5° | 111.0° |
| H281 | C28 | H282 | 96.1° | 110.4° |
| C30 | C29 | H291 | 112.5° | 111.0° |
| C30 | C29 | H292 | 112.5° | 111.0° |
| C29 | C30 | H301 | 112.1° | 110.8° |
| C29 | C30 | H302 | 112.1° | 110.7° |
| H291 | C29 | H292 | 97.9° | 110.9° |
| H301 | C30 | H302 | 98.3° | 110.8° |
| H331 | C33 | H332 | 99.2° | 109.5° |
| H341 | C34 | H342 | 99.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.7° | 0.3° |
| C1 | C2 | C3 | S1 | 173.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.9° | 0.1° |
| C2 | C1 | C6 | H6 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 2.5° | 0.0° |
| C6 | C1 | C2 | H2 | 177.5° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 178.5° | 180.0° |
| H1 | C1 | C2 | C3 | 177.5° | 180.0° |
| H1 | C1 | C2 | H2 | 2.5° | 0.1° |
| H1 | C1 | C6 | C5 | 179.1° | 179.9° |
| H1 | C1 | C6 | H6 | 0.9° | 0.0° |
| C2 | C3 | C4 | S1 | 175.6° | 179.7° |
| C2 | C3 | C4 | C5 | 0.7° | 0.6° |
| C2 | C3 | C4 | C9 | 176.0° | 179.8° |
| C2 | C3 | S1 | C8 | 178.8° | 180.0° |
| H2 | C2 | C3 | C4 | 178.2° | 179.7° |
| H2 | C2 | C3 | S1 | 7.0° | 0.0° |
| C3 | C4 | C5 | C9 | 175.8° | 179.1° |
| C3 | C4 | C5 | C6 | 2.3° | 0.7° |
| C3 | C4 | C5 | H5 | 177.7° | 179.7° |
| C4 | C3 | S1 | C8 | 3.5° | 0.3° |
| C3 | C4 | C9 | C8 | 3.8° | 0.5° |
| C3 | C4 | C9 | C7 | 164.8° | 179.7° |
| S1 | C3 | C4 | C5 | 176.3° | 179.7° |
| S1 | C3 | C4 | C9 | 0.4° | 0.5° |
| C3 | S1 | C8 | C9 | 5.5° | 0.0° |
| C3 | S1 | C8 | C10 | 168.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 178.5° | 179.7° |
| C5 | C4 | C9 | C8 | 179.9° | 179.6° |
| C5 | C4 | C9 | C7 | 11.3° | 0.6° |
| C9 | C4 | C5 | C6 | 173.5° | 179.7° |
| C9 | C4 | C5 | H5 | 6.5° | 0.7° |
| C4 | C9 | C8 | S1 | 6.1° | 0.3° |
| C4 | C9 | C8 | C7 | 168.4° | 179.8° |
| C4 | C9 | C8 | C10 | 167.2° | 179.8° |
| C4 | C9 | C7 | C13 | 117.0° | 95.0° |
| C4 | C9 | C7 | O1 | 62.4° | 84.8° |
| H5 | C5 | C6 | H6 | 1.5° | 0.1° |
| S1 | C8 | C9 | C10 | 173.3° | 179.9° |
| S1 | C8 | C9 | C7 | 162.3° | 180.0° |
| S1 | C8 | C10 | C12 | 42.6° | 47.5° |
| S1 | C8 | C10 | C20 | 142.2° | 132.2° |
| C8 | C9 | C7 | C13 | 50.7° | 84.8° |
| C8 | C9 | C7 | O1 | 129.9° | 95.4° |
| C9 | C8 | C10 | C12 | 145.1° | 132.5° |
| C9 | C8 | C10 | C20 | 30.0° | 47.7° |
| C10 | C8 | C9 | C7 | 24.3° | 0.0° |
| C8 | C10 | C12 | C20 | 175.5° | 179.7° |
| C8 | C10 | C12 | C14 | 171.3° | 180.0° |
| C8 | C10 | C12 | H12 | 8.7° | 0.0° |
| C8 | C10 | C20 | C18 | 171.1° | 179.8° |
| C8 | C10 | C20 | H20 | 8.9° | 0.3° |
| C9 | C7 | C13 | O1 | 179.4° | 179.8° |
| C9 | C7 | C13 | C11 | 172.2° | 174.9° |
| C9 | C7 | C13 | C15 | 9.8° | 5.4° |
| C7 | C13 | C11 | C15 | 178.2° | 179.7° |
| C7 | C13 | C11 | C21 | 173.2° | 179.9° |
| C7 | C13 | C11 | H11 | 6.8° | 0.1° |
| C7 | C13 | C15 | N1 | 176.5° | 179.8° |
| C7 | C13 | C15 | H15 | 3.5° | 0.3° |
| O1 | C7 | C13 | C11 | 8.5° | 5.2° |
| O1 | C7 | C13 | C15 | 169.6° | 174.5° |
| C10 | C12 | C14 | H12 | 180.0° | 180.0° |
| C10 | C12 | C14 | C16 | 0.7° | 0.0° |
| C10 | C12 | C14 | H14 | 179.3° | 180.0° |
| C12 | C10 | C20 | C18 | 4.0° | 0.5° |
| C12 | C10 | C20 | H20 | 176.0° | 180.0° |
| C20 | C10 | C12 | C14 | 4.3° | 0.2° |
| C20 | C10 | C12 | H12 | 175.8° | 179.8° |
| C10 | C20 | C18 | C16 | 0.4° | 0.5° |
| C10 | C20 | C18 | H20 | 180.0° | 179.5° |
| C10 | C20 | C18 | H18 | 179.6° | 179.7° |
| C12 | C14 | C16 | H14 | 180.0° | 180.0° |
| C12 | C14 | C16 | C18 | 3.0° | 0.0° |
| C12 | C14 | C16 | O2 | 178.9° | 180.0° |
| H12 | C12 | C14 | C16 | 179.3° | 180.0° |
| H12 | C12 | C14 | H14 | 0.7° | 0.0° |
| C14 | C16 | C18 | O2 | 178.2° | 179.9° |
| C14 | C16 | C18 | C20 | 3.1° | 0.3° |
| C14 | C16 | C18 | H18 | 176.9° | 179.9° |
| C14 | C16 | O2 | C24 | 20.2° | 177.3° |
| H14 | C14 | C16 | C18 | 177.0° | 180.0° |
| H14 | C14 | C16 | O2 | 1.1° | 0.1° |
| C16 | C18 | C20 | H18 | 180.0° | 179.7° |
| C16 | C18 | C20 | H20 | 179.6° | 180.0° |
| C18 | C16 | O2 | C24 | 161.7° | 2.7° |
| O2 | C16 | C18 | C20 | 178.7° | 179.7° |
| O2 | C16 | C18 | H18 | 1.3° | 0.0° |
| C16 | O2 | C24 | C34 | 150.4° | 177.7° |
| C16 | O2 | C24 | H241 | 84.4° | 62.3° |
| C16 | O2 | C24 | H242 | 25.1° | 57.7° |
| H18 | C18 | C20 | H20 | 0.4° | 0.2° |
| O2 | C24 | C34 | H241 | 125.2° | 120.0° |
| O2 | C24 | C34 | H242 | 125.2° | 120.0° |
| O2 | C24 | H241 | H242 | 116.5° | 119.9° |
| O2 | C24 | C34 | N3 | 95.0° | 67.0° |
| O2 | C24 | C34 | H341 | 139.8° | 173.0° |
| O2 | C24 | C34 | H342 | 30.3° | 53.0° |
| C34 | C24 | H241 | H242 | 116.6° | 120.0° |
| C24 | C34 | N3 | C22 | 144.1° | 180.0° |
| C24 | C34 | N3 | C28 | 60.0° | 64.1° |
| C24 | C34 | N3 | H341 | 125.3° | 120.0° |
| C24 | C34 | N3 | H342 | 125.2° | 119.9° |
| C24 | C34 | H341 | H342 | 116.3° | 119.9° |
| H241 | C24 | C34 | N3 | 30.2° | 53.0° |
| H241 | C24 | C34 | H341 | 95.0° | 67.1° |
| H241 | C24 | C34 | H342 | 155.5° | 173.0° |
| H242 | C24 | C34 | N3 | 139.8° | 173.0° |
| H242 | C24 | C34 | H341 | 14.5° | 52.9° |
| H242 | C24 | C34 | H342 | 95.0° | 67.0° |
| C13 | C11 | C21 | H11 | 180.0° | 180.0° |
| C11 | C13 | C15 | N1 | 1.6° | 0.5° |
| C11 | C13 | C15 | H15 | 178.4° | 180.0° |
| C13 | C11 | C21 | C19 | 4.1° | 0.0° |
| C13 | C11 | C21 | H21 | 175.9° | 180.0° |
| C21 | C11 | C13 | C15 | 5.0° | 0.3° |
| C11 | C21 | C19 | N1 | 0.4° | 0.1° |
| C11 | C21 | C19 | H21 | 180.0° | 180.0° |
| C11 | C21 | C19 | O3 | 178.6° | 180.0° |
| H11 | C11 | C13 | C15 | 175.0° | 179.8° |
| H11 | C11 | C21 | C19 | 175.9° | 180.0° |
| H11 | C11 | C21 | H21 | 4.1° | 0.0° |
| C13 | C15 | N1 | H15 | 180.0° | 179.5° |
| C13 | C15 | N1 | C19 | 3.3° | 0.5° |
| C15 | N1 | C19 | C21 | 4.2° | 0.2° |
| C15 | N1 | C19 | O3 | 177.7° | 179.7° |
| H15 | C15 | N1 | C19 | 176.7° | 180.0° |
| N1 | C19 | C21 | O3 | 178.2° | 179.9° |
| N1 | C19 | C21 | H21 | 179.6° | 180.0° |
| N1 | C19 | O3 | C25 | 33.7° | 5.6° |
| C21 | C19 | O3 | C25 | 148.3° | 174.5° |
| O3 | C19 | C21 | H21 | 1.4° | 0.1° |
| C19 | O3 | C25 | C33 | 164.7° | 175.6° |
| C19 | O3 | C25 | H251 | 39.4° | 64.5° |
| C19 | O3 | C25 | H252 | 70.1° | 55.6° |
| O3 | C25 | C33 | H251 | 125.3° | 120.0° |
| O3 | C25 | C33 | H252 | 125.2° | 120.0° |
| O3 | C25 | H251 | H252 | 116.0° | 120.0° |
| O3 | C25 | C33 | N2 | 111.9° | 67.0° |
| O3 | C25 | C33 | H331 | 122.8° | 173.0° |
| O3 | C25 | C33 | H332 | 13.3° | 53.0° |
| C33 | C25 | H251 | H252 | 116.1° | 120.0° |
| C25 | C33 | N2 | C26 | 96.4° | 180.0° |
| C25 | C33 | N2 | C27 | 23.1° | 64.1° |
| C25 | C33 | N2 | H331 | 125.3° | 120.0° |
| C25 | C33 | N2 | H332 | 125.2° | 120.0° |
| C25 | C33 | H331 | H332 | 117.0° | 120.0° |
| H251 | C25 | C33 | N2 | 13.3° | 52.9° |
| H251 | C25 | C33 | H331 | 112.0° | 67.1° |
| H251 | C25 | C33 | H332 | 138.6° | 172.9° |
| H252 | C25 | C33 | N2 | 122.8° | 173.0° |
| H252 | C25 | C33 | H331 | 2.5° | 53.0° |
| H252 | C25 | C33 | H332 | 111.9° | 67.0° |
| C23 | C17 | C27 | H171 | 125.3° | 118.2° |
| C23 | C17 | C27 | H172 | 125.2° | 118.1° |
| C23 | C17 | H171 | H172 | 118.6° | 123.9° |
| C17 | C23 | C26 | H231 | 125.3° | 118.4° |
| C17 | C23 | C26 | H232 | 125.3° | 118.4° |
| C17 | C23 | H231 | H232 | 118.3° | 123.3° |
| C17 | C23 | C26 | N2 | 15.2° | 22.3° |
| C17 | C23 | C26 | H261 | 110.0° | 97.1° |
| C17 | C23 | C26 | H262 | 140.5° | 141.7° |
| C23 | C17 | C27 | N2 | 3.8° | 37.1° |
| C23 | C17 | C27 | H271 | 129.1° | 81.7° |
| C23 | C17 | C27 | H272 | 121.4° | 155.9° |
| C27 | C17 | H171 | H172 | 118.7° | 123.8° |
| C27 | C17 | C23 | C26 | 7.2° | 35.7° |
| C27 | C17 | C23 | H231 | 132.5° | 154.0° |
| C27 | C17 | C23 | H232 | 118.0° | 82.7° |
| C17 | C27 | N2 | C26 | 13.8° | 24.1° |
| C17 | C27 | N2 | H271 | 125.3° | 118.8° |
| C17 | C27 | N2 | H272 | 125.2° | 118.8° |
| C17 | C27 | N2 | C33 | 129.0° | 138.7° |
| C17 | C27 | H271 | H272 | 119.6° | 122.3° |
| H171 | C17 | C23 | C26 | 132.6° | 82.5° |
| H171 | C17 | C23 | H231 | 102.2° | 35.9° |
| H171 | C17 | C23 | H232 | 7.3° | 159.1° |
| H171 | C17 | C27 | N2 | 121.4° | 81.1° |
| H171 | C17 | C27 | H271 | 3.8° | 160.1° |
| H171 | C17 | C27 | H272 | 113.4° | 37.8° |
| H172 | C17 | C23 | C26 | 118.0° | 153.7° |
| H172 | C17 | C23 | H231 | 7.2° | 87.9° |
| H172 | C17 | C23 | H232 | 116.7° | 35.4° |
| H172 | C17 | C27 | N2 | 129.0° | 155.2° |
| H172 | C17 | C27 | H271 | 105.7° | 36.4° |
| H172 | C17 | C27 | H272 | 3.8° | 86.0° |
| C26 | C23 | H231 | H232 | 118.2° | 123.2° |
| C23 | C26 | N2 | H261 | 125.3° | 119.4° |
| C23 | C26 | N2 | H262 | 125.3° | 119.4° |
| C23 | C26 | H261 | H262 | 120.0° | 121.1° |
| C23 | C26 | N2 | C27 | 17.9° | 1.0° |
| C23 | C26 | N2 | C33 | 141.7° | 115.7° |
| H231 | C23 | C26 | N2 | 140.5° | 140.6° |
| H231 | C23 | C26 | H261 | 15.3° | 21.2° |
| H231 | C23 | C26 | H262 | 94.2° | 99.9° |
| H232 | C23 | C26 | N2 | 110.1° | 96.1° |
| H232 | C23 | C26 | H261 | 124.7° | 144.5° |
| H232 | C23 | C26 | H262 | 15.2° | 23.3° |
| N2 | C26 | H261 | H262 | 120.1° | 121.1° |
| C26 | N2 | C27 | C33 | 115.3° | 114.6° |
| C26 | N2 | C27 | H271 | 139.0° | 94.7° |
| C26 | N2 | C27 | H272 | 111.5° | 143.0° |
| C26 | N2 | C33 | H331 | 138.3° | 60.0° |
| C26 | N2 | C33 | H332 | 28.8° | 60.0° |
| H261 | C26 | N2 | C27 | 107.4° | 120.4° |
| H261 | C26 | N2 | C33 | 16.4° | 124.9° |
| H262 | C26 | N2 | C27 | 143.2° | 118.4° |
| H262 | C26 | N2 | C33 | 93.0° | 3.8° |
| N2 | C27 | H271 | H272 | 119.6° | 122.3° |
| C27 | N2 | C33 | H331 | 102.2° | 175.9° |
| C27 | N2 | C33 | H332 | 148.3° | 55.9° |
| C33 | N2 | C27 | H271 | 105.7° | 19.9° |
| C33 | N2 | C27 | H272 | 3.8° | 102.4° |
| N2 | C33 | H331 | H332 | 117.1° | 120.0° |
| N3 | C22 | C30 | H221 | 125.2° | 119.4° |
| N3 | C22 | C30 | H222 | 125.3° | 119.4° |
| N3 | C22 | H221 | H222 | 120.5° | 121.1° |
| C22 | N3 | C28 | C34 | 157.6° | 114.7° |
| C22 | N3 | C28 | C29 | 2.7° | 24.1° |
| C22 | N3 | C28 | H281 | 122.6° | 94.8° |
| C22 | N3 | C28 | H282 | 128.0° | 143.0° |
| N3 | C22 | C30 | C29 | 5.2° | 22.3° |
| N3 | C22 | C30 | H301 | 130.5° | 140.7° |
| N3 | C22 | C30 | H302 | 120.0° | 96.1° |
| C22 | N3 | C34 | H341 | 18.9° | 60.0° |
| C22 | N3 | C34 | H342 | 90.6° | 60.1° |
| C30 | C22 | H221 | H222 | 120.4° | 121.1° |
| C30 | C22 | N3 | C28 | 1.5° | 1.0° |
| C30 | C22 | N3 | C34 | 155.8° | 115.7° |
| C22 | C30 | C29 | C28 | 7.2° | 35.7° |
| C22 | C30 | C29 | H301 | 125.3° | 118.3° |
| C22 | C30 | C29 | H302 | 125.3° | 118.4° |
| C22 | C30 | C29 | H291 | 132.5° | 82.4° |
| C22 | C30 | C29 | H292 | 118.1° | 153.8° |
| C22 | C30 | H301 | H302 | 118.1° | 123.2° |
| H221 | C22 | N3 | C28 | 123.8° | 120.4° |
| H221 | C22 | N3 | C34 | 79.0° | 124.9° |
| H221 | C22 | C30 | C29 | 120.0° | 97.1° |
| H221 | C22 | C30 | H301 | 5.2° | 21.2° |
| H221 | C22 | C30 | H302 | 114.7° | 144.5° |
| H222 | C22 | N3 | C28 | 126.7° | 118.4° |
| H222 | C22 | N3 | C34 | 30.5° | 3.7° |
| H222 | C22 | C30 | C29 | 130.5° | 141.7° |
| H222 | C22 | C30 | H301 | 104.3° | 99.9° |
| H222 | C22 | C30 | H302 | 5.2° | 23.3° |
| N3 | C28 | C29 | H281 | 125.3° | 118.9° |
| N3 | C28 | C29 | H282 | 125.3° | 118.8° |
| N3 | C28 | H281 | H282 | 120.3° | 122.2° |
| N3 | C28 | C29 | C30 | 5.9° | 37.1° |
| N3 | C28 | C29 | H291 | 131.2° | 81.0° |
| N3 | C28 | C29 | H292 | 119.4° | 155.2° |
| C28 | N3 | C34 | H341 | 174.7° | 175.9° |
| C28 | N3 | C34 | H342 | 65.2° | 55.9° |
| C34 | N3 | C28 | C29 | 160.3° | 138.7° |
| C34 | N3 | C28 | H281 | 35.0° | 19.9° |
| C34 | N3 | C28 | H282 | 74.5° | 102.4° |
| N3 | C34 | H341 | H342 | 116.4° | 120.0° |
| C29 | C28 | H281 | H282 | 120.2° | 122.4° |
| C28 | C29 | C30 | H291 | 125.3° | 118.1° |
| C28 | C29 | C30 | H292 | 125.3° | 118.1° |
| C28 | C29 | H291 | H292 | 118.4° | 123.9° |
| C28 | C29 | C30 | H301 | 132.5° | 154.0° |
| C28 | C29 | C30 | H302 | 118.1° | 82.7° |
| H281 | C28 | C29 | C30 | 119.4° | 81.8° |
| H281 | C28 | C29 | H291 | 5.8° | 160.2° |
| H281 | C28 | C29 | H292 | 115.2° | 36.4° |
| H282 | C28 | C29 | C30 | 131.2° | 155.9° |
| H282 | C28 | C29 | H291 | 103.5° | 37.8° |
| H282 | C28 | C29 | H292 | 5.9° | 86.0° |
| C30 | C29 | H291 | H292 | 118.4° | 123.8° |
| C29 | C30 | H301 | H302 | 118.0° | 123.2° |
| H291 | C29 | C30 | H301 | 102.3° | 35.9° |
| H291 | C29 | C30 | H302 | 7.2° | 159.2° |
| H292 | C29 | C30 | H301 | 7.1° | 87.9° |
| H292 | C29 | C30 | H302 | 116.6° | 35.4° |
