BTH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C25 | doub | 1.21Å | 1.22Å | |
| C25 | N4 | sing | 1.35Å | 1.34Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| N4 | C33 | sing | 1.46Å | 1.46Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| C34 | O39 | doub | 1.21Å | 1.22Å | |
| C34 | C31 | sing | 1.51Å | 1.50Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C35 | C15 | sing | 1.51Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C15 | O37 | doub | 1.34Å | 1.25Å | |
| C15 | O36 | sing | 1.21Å | 1.25Å | |
| O36 | H36 | sing | 8.54Å | 0.95Å | |
| C24 | C26 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C26 | S41 | sing | 1.79Å | 1.72Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.40Å | Aromatic |
| S41 | C14 | sing | 1.79Å | 1.69Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C14 | doub | 1.36Å | 1.34Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C22 | C9 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | N3 | sing | 1.46Å | 1.45Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| N3 | C17 | sing | 1.35Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C17 | O38 | doub | 1.22Å | 1.22Å | |
| C17 | C30 | sing | 1.48Å | 1.51Å | |
| C30 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C19 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | N2 | sing | 1.39Å | 1.37Å | |
| N2 | C20 | sing | 1.39Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C20 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C16 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C21 | sing | 1.34Å | 1.34Å | Aromatic |
| C16 | N5 | doub | 1.31Å | 1.34Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| N5 | C29 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | C21 | doub | 1.42Å | 1.39Å | Aromatic |
| C29 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C18 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C25 | N4 | 122.3° | 120.0° |
| O40 | C25 | C24 | 117.8° | 119.9° |
| N4 | C25 | C24 | 119.8° | 120.0° |
| C25 | N4 | C33 | 120.8° | 120.0° |
| C25 | N4 | HN4 | 115.2° | 120.0° |
| C25 | C24 | C26 | 112.8° | 109.5° |
| C25 | C24 | C23 | 112.0° | 109.5° |
| C25 | C24 | H24 | 106.4° | 109.5° |
| C33 | N4 | HN4 | 124.0° | 120.0° |
| N4 | C33 | C34 | 114.3° | 109.5° |
| N4 | C33 | C35 | 111.5° | 109.5° |
| N4 | C33 | H33 | 104.6° | 109.5° |
| C34 | C33 | C35 | 109.7° | 109.5° |
| C34 | C33 | H33 | 106.7° | 109.5° |
| C33 | C34 | O39 | 119.0° | 120.0° |
| C33 | C34 | C31 | 120.8° | 120.0° |
| C35 | C33 | H33 | 109.8° | 109.4° |
| C33 | C35 | C15 | 111.3° | 109.5° |
| C33 | C35 | H351 | 111.5° | 109.4° |
| C33 | C35 | H352 | 111.6° | 109.5° |
| O39 | C34 | C31 | 120.2° | 120.0° |
| C34 | C31 | H311 | 108.2° | 109.5° |
| C34 | C31 | H312 | 120.8° | 109.5° |
| C34 | C31 | H313 | 108.1° | 109.5° |
| H311 | C31 | H312 | 108.1° | 109.5° |
| H311 | C31 | H313 | 101.8° | 109.4° |
| H312 | C31 | H313 | 108.2° | 109.5° |
| C15 | C35 | H351 | 111.5° | 109.5° |
| C15 | C35 | H352 | 111.5° | 109.5° |
| C35 | C15 | O37 | 119.6° | 120.0° |
| C35 | C15 | O36 | 118.4° | 120.0° |
| H351 | C35 | H352 | 98.8° | 109.5° |
| O37 | C15 | O36 | 122.0° | 120.0° |
| C15 | O36 | H36 | 118.4° | 139.2° |
| C26 | C24 | C23 | 112.6° | 109.4° |
| C26 | C24 | H24 | 105.7° | 109.5° |
| C24 | C26 | S41 | 125.5° | 129.0° |
| C24 | C26 | C27 | 121.8° | 129.1° |
| C23 | C24 | H24 | 106.7° | 109.5° |
| C24 | C23 | C22 | 110.1° | 109.5° |
| C24 | C23 | H231 | 112.0° | 109.5° |
| C24 | C23 | H232 | 112.0° | 109.5° |
| S41 | C26 | C27 | 112.8° | 101.9° |
| C26 | S41 | C14 | 88.9° | 98.1° |
| C26 | C27 | C28 | 110.1° | 119.0° |
| C26 | C27 | H27 | 124.4° | 120.5° |
| S41 | C14 | C28 | 116.2° | 101.9° |
| S41 | C14 | H14 | 132.4° | 129.0° |
| C28 | C27 | H27 | 125.5° | 120.5° |
| C27 | C28 | C14 | 111.1° | 119.0° |
| C27 | C28 | H28 | 127.0° | 120.5° |
| C14 | C28 | H28 | 122.0° | 120.5° |
| C28 | C14 | H14 | 111.4° | 129.1° |
| C22 | C23 | H231 | 112.0° | 109.4° |
| C22 | C23 | H232 | 112.0° | 109.5° |
| C23 | C22 | C9 | 111.0° | 109.5° |
| C23 | C22 | H221 | 111.6° | 109.4° |
| C23 | C22 | H222 | 111.6° | 109.5° |
| H231 | C23 | H232 | 98.4° | 109.5° |
| C9 | C22 | H221 | 111.6° | 109.5° |
| C9 | C22 | H222 | 111.6° | 109.5° |
| C22 | C9 | C10 | 112.8° | 109.5° |
| C22 | C9 | H91 | 111.0° | 109.5° |
| C22 | C9 | H92 | 111.0° | 109.5° |
| H221 | C22 | H222 | 98.8° | 109.5° |
| C10 | C9 | H91 | 111.0° | 109.5° |
| C10 | C9 | H92 | 111.0° | 109.5° |
| C9 | C10 | N3 | 111.9° | 109.5° |
| C9 | C10 | H101 | 111.3° | 109.5° |
| C9 | C10 | H102 | 111.3° | 109.4° |
| H91 | C9 | H92 | 99.3° | 109.5° |
| N3 | C10 | H101 | 111.4° | 109.5° |
| N3 | C10 | H102 | 111.3° | 109.5° |
| C10 | N3 | C17 | 124.6° | 120.0° |
| C10 | N3 | HN3 | 122.2° | 120.0° |
| H101 | C10 | H102 | 99.0° | 109.5° |
| C17 | N3 | HN3 | 113.2° | 120.0° |
| N3 | C17 | O38 | 122.6° | 120.0° |
| N3 | C17 | C30 | 118.1° | 120.0° |
| O38 | C17 | C30 | 119.3° | 120.0° |
| C17 | C30 | C32 | 119.9° | 120.0° |
| C17 | C30 | C13 | 120.5° | 120.1° |
| C32 | C30 | C13 | 119.6° | 119.9° |
| C30 | C32 | C19 | 120.2° | 119.9° |
| C30 | C32 | H32 | 119.9° | 120.1° |
| C30 | C13 | C12 | 120.1° | 119.9° |
| C30 | C13 | H13 | 120.0° | 120.0° |
| C19 | C32 | H32 | 119.9° | 120.0° |
| C32 | C19 | C11 | 120.5° | 120.1° |
| C32 | C19 | H19 | 119.6° | 119.9° |
| C11 | C19 | H19 | 119.9° | 120.0° |
| C19 | C11 | C12 | 119.1° | 120.1° |
| C19 | C11 | N2 | 122.6° | 119.9° |
| C12 | C13 | H13 | 119.9° | 120.1° |
| C13 | C12 | C11 | 120.5° | 120.1° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C11 | C12 | H12 | 119.8° | 119.9° |
| C12 | C11 | N2 | 118.3° | 120.0° |
| C11 | N2 | C20 | 127.3° | 120.0° |
| C11 | N2 | HN2 | 106.0° | 120.0° |
| C20 | N2 | HN2 | 105.9° | 119.9° |
| N2 | C20 | N1 | 121.5° | 119.7° |
| N2 | C20 | C16 | 119.4° | 119.8° |
| N1 | C20 | C16 | 119.0° | 120.5° |
| C20 | N1 | C21 | 121.1° | 119.6° |
| C20 | C16 | N5 | 120.1° | 120.6° |
| C20 | C16 | H16 | 121.8° | 119.7° |
| N1 | C21 | C29 | 119.6° | 119.7° |
| N1 | C21 | C6 | 120.2° | 120.9° |
| N5 | C16 | H16 | 118.1° | 119.7° |
| C16 | N5 | C29 | 120.5° | 119.9° |
| N5 | C29 | C21 | 119.6° | 119.7° |
| N5 | C29 | C7 | 120.4° | 121.0° |
| C21 | C29 | C7 | 120.0° | 119.3° |
| C29 | C21 | C6 | 120.2° | 119.4° |
| C29 | C7 | C8 | 119.9° | 119.7° |
| C29 | C7 | H7 | 120.0° | 120.2° |
| C21 | C6 | C18 | 119.9° | 119.7° |
| C21 | C6 | H6 | 120.1° | 120.1° |
| C8 | C7 | H7 | 120.0° | 120.1° |
| C7 | C8 | C18 | 120.1° | 120.9° |
| C7 | C8 | H8 | 120.0° | 119.5° |
| C18 | C8 | H8 | 119.9° | 119.5° |
| C8 | C18 | C6 | 120.0° | 120.9° |
| C8 | C18 | H18 | 120.0° | 119.5° |
| C6 | C18 | H18 | 120.0° | 119.5° |
| C18 | C6 | H6 | 120.1° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C25 | N4 | C24 | 179.1° | 180.0° |
| O40 | C25 | N4 | C33 | 6.2° | 0.0° |
| O40 | C25 | N4 | HN4 | 173.7° | 180.0° |
| O40 | C25 | C24 | C26 | 113.6° | 120.0° |
| O40 | C25 | C24 | C23 | 118.1° | 0.0° |
| O40 | C25 | C24 | H24 | 1.9° | 120.0° |
| C25 | N4 | C33 | HN4 | 180.0° | 180.0° |
| C25 | N4 | C33 | C34 | 89.1° | 85.0° |
| C25 | N4 | C33 | C35 | 145.9° | 155.0° |
| C25 | N4 | C33 | H33 | 27.2° | 35.0° |
| N4 | C25 | C24 | C26 | 65.6° | 60.0° |
| N4 | C25 | C24 | C23 | 62.7° | 180.0° |
| N4 | C25 | C24 | H24 | 178.9° | 60.0° |
| C24 | C25 | N4 | C33 | 172.9° | 180.0° |
| C24 | C25 | N4 | HN4 | 7.1° | 0.1° |
| C25 | C24 | C26 | C23 | 127.9° | 120.0° |
| C25 | C24 | C26 | H24 | 115.9° | 120.0° |
| C25 | C24 | C23 | H24 | 116.0° | 120.0° |
| C25 | C24 | C26 | S41 | 112.8° | 60.0° |
| C25 | C24 | C26 | C27 | 67.9° | 120.2° |
| C25 | C24 | C23 | C22 | 124.1° | 175.0° |
| C25 | C24 | C23 | H231 | 1.2° | 65.0° |
| C25 | C24 | C23 | H232 | 110.7° | 55.0° |
| N4 | C33 | C34 | C35 | 126.0° | 120.0° |
| N4 | C33 | C34 | H33 | 115.1° | 120.0° |
| N4 | C33 | C35 | H33 | 115.5° | 120.0° |
| N4 | C33 | C34 | O39 | 177.0° | 15.0° |
| N4 | C33 | C34 | C31 | 3.3° | 165.0° |
| N4 | C33 | C35 | C15 | 80.1° | 65.0° |
| N4 | C33 | C35 | H351 | 154.6° | 55.0° |
| N4 | C33 | C35 | H352 | 45.2° | 175.0° |
| HN4 | N4 | C33 | C34 | 90.9° | 95.1° |
| HN4 | N4 | C33 | C35 | 34.1° | 25.0° |
| HN4 | N4 | C33 | H33 | 152.8° | 144.9° |
| C34 | C33 | C35 | H33 | 116.9° | 120.0° |
| C33 | C34 | O39 | C31 | 179.7° | 179.9° |
| C33 | C34 | C31 | H311 | 54.7° | 90.0° |
| C33 | C34 | C31 | H312 | 180.0° | 30.0° |
| C33 | C34 | C31 | H313 | 54.8° | 150.0° |
| C34 | C33 | C35 | C15 | 152.3° | 175.0° |
| C34 | C33 | C35 | H351 | 27.1° | 65.0° |
| C34 | C33 | C35 | H352 | 82.4° | 55.0° |
| C35 | C33 | C34 | O39 | 57.0° | 105.0° |
| C35 | C33 | C34 | C31 | 122.7° | 74.9° |
| C33 | C35 | C15 | H351 | 125.3° | 120.0° |
| C33 | C35 | C15 | H352 | 125.3° | 120.0° |
| C33 | C35 | H351 | H352 | 117.5° | 120.0° |
| C33 | C35 | C15 | O37 | 13.1° | 180.0° |
| C33 | C35 | C15 | O36 | 166.9° | 0.0° |
| H33 | C33 | C34 | O39 | 61.8° | 135.1° |
| H33 | C33 | C34 | C31 | 118.4° | 45.0° |
| H33 | C33 | C35 | C15 | 35.4° | 55.0° |
| H33 | C33 | C35 | H351 | 89.9° | 175.0° |
| H33 | C33 | C35 | H352 | 160.7° | 65.0° |
| O39 | C34 | C31 | H311 | 125.5° | 90.0° |
| O39 | C34 | C31 | H312 | 0.3° | 150.0° |
| O39 | C34 | C31 | H313 | 125.0° | 29.9° |
| C34 | C31 | H311 | H312 | 132.4° | 120.0° |
| C34 | C31 | H311 | H313 | 113.8° | 120.0° |
| C34 | C31 | H312 | H313 | 125.2° | 120.0° |
| H311 | C31 | H312 | H313 | 109.5° | 119.9° |
| C15 | C35 | H351 | H352 | 117.4° | 120.0° |
| C35 | C15 | O37 | O36 | 180.0° | 180.0° |
| C35 | C15 | O36 | H36 | 180.0° | 42.6° |
| H351 | C35 | C15 | O37 | 112.2° | 60.0° |
| H351 | C35 | C15 | O36 | 67.8° | 120.0° |
| H352 | C35 | C15 | O37 | 138.4° | 60.0° |
| H352 | C35 | C15 | O36 | 41.6° | 120.0° |
| O37 | C15 | O36 | H36 | 0.0° | 137.4° |
| C26 | C24 | C23 | H24 | 115.5° | 120.0° |
| C24 | C26 | S41 | C27 | 179.3° | 179.8° |
| C24 | C26 | S41 | C14 | 169.7° | 180.0° |
| C24 | C26 | C27 | C28 | 170.6° | 179.8° |
| C24 | C26 | C27 | H27 | 9.3° | 0.3° |
| C26 | C24 | C23 | C22 | 107.5° | 65.0° |
| C26 | C24 | C23 | H231 | 127.2° | 55.0° |
| C26 | C24 | C23 | H232 | 17.7° | 175.0° |
| C23 | C24 | C26 | S41 | 15.1° | 60.0° |
| C23 | C24 | C26 | C27 | 164.1° | 119.7° |
| C24 | C23 | C22 | H231 | 125.3° | 120.0° |
| C24 | C23 | C22 | H232 | 125.3° | 120.0° |
| C24 | C23 | H231 | H232 | 117.9° | 120.0° |
| C24 | C23 | C22 | C9 | 101.6° | 180.0° |
| C24 | C23 | C22 | H221 | 23.6° | 60.0° |
| C24 | C23 | C22 | H222 | 133.1° | 60.0° |
| H24 | C24 | C26 | S41 | 131.2° | 180.0° |
| H24 | C24 | C26 | C27 | 48.0° | 0.2° |
| H24 | C24 | C23 | C22 | 8.0° | 55.0° |
| H24 | C24 | C23 | H231 | 117.3° | 175.0° |
| H24 | C24 | C23 | H232 | 133.3° | 65.1° |
| S41 | C26 | C27 | C28 | 8.7° | 0.4° |
| S41 | C26 | C27 | H27 | 171.3° | 179.9° |
| C26 | S41 | C14 | C28 | 8.4° | 0.0° |
| C26 | S41 | C14 | H14 | 171.6° | 180.0° |
| C27 | C26 | S41 | C14 | 9.6° | 0.2° |
| C26 | C27 | C28 | H27 | 180.0° | 179.5° |
| C26 | C27 | C28 | C14 | 2.5° | 0.5° |
| C26 | C27 | C28 | H28 | 177.5° | 179.7° |
| S41 | C14 | C28 | C27 | 5.0° | 0.2° |
| S41 | C14 | C28 | H14 | 180.0° | 180.0° |
| S41 | C14 | C28 | H28 | 175.0° | 179.9° |
| C27 | C28 | C14 | H28 | 180.0° | 179.8° |
| C27 | C28 | C14 | H14 | 175.0° | 179.8° |
| H27 | C27 | C28 | C14 | 177.5° | 180.0° |
| H27 | C27 | C28 | H28 | 2.5° | 0.2° |
| H28 | C28 | C14 | H14 | 4.9° | 0.0° |
| C22 | C23 | H231 | H232 | 117.9° | 120.0° |
| C23 | C22 | C9 | H221 | 125.3° | 120.0° |
| C23 | C22 | C9 | H222 | 125.2° | 120.1° |
| C23 | C22 | H221 | H222 | 117.6° | 120.0° |
| C23 | C22 | C9 | C10 | 159.8° | 180.0° |
| C23 | C22 | C9 | H91 | 34.5° | 60.0° |
| C23 | C22 | C9 | H92 | 75.0° | 60.0° |
| H231 | C23 | C22 | C9 | 133.1° | 60.0° |
| H231 | C23 | C22 | H221 | 101.6° | 180.0° |
| H231 | C23 | C22 | H222 | 7.9° | 60.0° |
| H232 | C23 | C22 | C9 | 23.6° | 60.0° |
| H232 | C23 | C22 | H221 | 148.9° | 60.0° |
| H232 | C23 | C22 | H222 | 101.6° | 180.0° |
| C9 | C22 | H221 | H222 | 117.5° | 120.0° |
| C22 | C9 | C10 | H91 | 125.3° | 120.0° |
| C22 | C9 | C10 | H92 | 125.3° | 120.0° |
| C22 | C9 | H91 | H92 | 116.9° | 120.0° |
| C22 | C9 | C10 | N3 | 105.7° | 180.0° |
| C22 | C9 | C10 | H101 | 129.0° | 60.0° |
| C22 | C9 | C10 | H102 | 19.6° | 60.0° |
| H221 | C22 | C9 | C10 | 75.0° | 60.0° |
| H221 | C22 | C9 | H91 | 159.8° | NaN° |
| H221 | C22 | C9 | H92 | 50.3° | 60.0° |
| H222 | C22 | C9 | C10 | 34.5° | 60.0° |
| H222 | C22 | C9 | H91 | 90.7° | 60.0° |
| H222 | C22 | C9 | H92 | 159.8° | 179.9° |
| C10 | C9 | H91 | H92 | 116.8° | 120.0° |
| C9 | C10 | N3 | H101 | 125.3° | 120.0° |
| C9 | C10 | N3 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 117.2° | 120.0° |
| C9 | C10 | N3 | C17 | 98.2° | 180.0° |
| C9 | C10 | N3 | HN3 | 81.8° | 0.0° |
| H91 | C9 | C10 | N3 | 19.6° | 60.0° |
| H91 | C9 | C10 | H101 | 105.7° | 180.0° |
| H91 | C9 | C10 | H102 | 144.8° | 60.0° |
| H92 | C9 | C10 | N3 | 129.0° | 60.0° |
| H92 | C9 | C10 | H101 | 3.7° | 60.0° |
| H92 | C9 | C10 | H102 | 105.7° | 180.0° |
| N3 | C10 | H101 | H102 | 117.2° | 120.1° |
| C10 | N3 | C17 | HN3 | 180.0° | 180.0° |
| C10 | N3 | C17 | O38 | 2.7° | 0.0° |
| C10 | N3 | C17 | C30 | 178.1° | 180.0° |
| H101 | C10 | N3 | C17 | 27.0° | 60.0° |
| H101 | C10 | N3 | HN3 | 153.0° | 120.0° |
| H102 | C10 | N3 | C17 | 136.5° | 60.0° |
| H102 | C10 | N3 | HN3 | 43.5° | 119.9° |
| N3 | C17 | O38 | C30 | 179.2° | 180.0° |
| N3 | C17 | C30 | C32 | 31.2° | 180.0° |
| N3 | C17 | C30 | C13 | 148.3° | 0.3° |
| HN3 | N3 | C17 | O38 | 177.3° | 180.0° |
| HN3 | N3 | C17 | C30 | 1.9° | 0.0° |
| O38 | C17 | C30 | C32 | 149.5° | 0.0° |
| O38 | C17 | C30 | C13 | 30.9° | 179.7° |
| C17 | C30 | C32 | C13 | 179.5° | 179.7° |
| C17 | C30 | C32 | C19 | 179.9° | 180.0° |
| C17 | C30 | C32 | H32 | 0.1° | 0.0° |
| C17 | C30 | C13 | C12 | 179.7° | 179.8° |
| C17 | C30 | C13 | H13 | 0.3° | 0.2° |
| C30 | C32 | C19 | H32 | 180.0° | 180.0° |
| C30 | C32 | C19 | C11 | 0.5° | 0.0° |
| C30 | C32 | C19 | H19 | 179.5° | 180.0° |
| C32 | C30 | C13 | C12 | 0.2° | 0.5° |
| C32 | C30 | C13 | H13 | 179.8° | 180.0° |
| C13 | C30 | C32 | C19 | 0.4° | 0.2° |
| C13 | C30 | C32 | H32 | 179.6° | 179.7° |
| C30 | C13 | C12 | H13 | 180.0° | 179.5° |
| C30 | C13 | C12 | C11 | 0.2° | 0.5° |
| C30 | C13 | C12 | H12 | 179.8° | 179.7° |
| C32 | C19 | C11 | H19 | 180.0° | 180.0° |
| C32 | C19 | C11 | C12 | 0.4° | 0.0° |
| C32 | C19 | C11 | N2 | 179.8° | 180.0° |
| H32 | C32 | C19 | C11 | 179.5° | 180.0° |
| H32 | C32 | C19 | H19 | 0.5° | 0.0° |
| C19 | C11 | C12 | C13 | 0.3° | 0.2° |
| C19 | C11 | C12 | N2 | 179.4° | 180.0° |
| C19 | C11 | C12 | H12 | 179.7° | 180.0° |
| C19 | C11 | N2 | C20 | 2.2° | 33.4° |
| C19 | C11 | N2 | HN2 | 123.1° | 146.6° |
| H19 | C19 | C11 | C12 | 179.6° | 180.0° |
| H19 | C19 | C11 | N2 | 0.2° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C13 | C12 | C11 | N2 | 179.6° | 179.7° |
| H13 | C13 | C12 | C11 | 179.8° | 180.0° |
| H13 | C13 | C12 | H12 | 0.2° | 0.2° |
| C12 | C11 | N2 | C20 | 178.5° | 146.6° |
| C12 | C11 | N2 | HN2 | 56.3° | 33.4° |
| H12 | C12 | C11 | N2 | 0.3° | 0.0° |
| C11 | N2 | C20 | HN2 | 125.3° | 180.0° |
| C11 | N2 | C20 | N1 | 21.4° | 5.5° |
| C11 | N2 | C20 | C16 | 161.6° | 174.3° |
| N2 | C20 | N1 | C16 | 177.0° | 179.7° |
| N2 | C20 | N1 | C21 | 178.2° | 179.7° |
| N2 | C20 | C16 | N5 | 178.7° | 180.0° |
| N2 | C20 | C16 | H16 | 1.3° | 0.0° |
| HN2 | N2 | C20 | N1 | 146.7° | 174.6° |
| HN2 | N2 | C20 | C16 | 36.3° | 5.7° |
| N1 | C20 | C16 | N5 | 1.6° | 0.3° |
| N1 | C20 | C16 | H16 | 178.4° | 179.7° |
| C20 | N1 | C21 | C29 | 0.9° | 0.5° |
| C20 | N1 | C21 | C6 | 179.8° | 179.7° |
| C16 | C20 | N1 | C21 | 1.2° | 0.5° |
| C20 | C16 | N5 | H16 | 180.0° | 180.0° |
| C20 | C16 | N5 | C29 | 1.7° | 0.0° |
| N1 | C21 | C29 | N5 | 0.9° | 0.2° |
| N1 | C21 | C29 | C6 | 178.9° | 179.8° |
| N1 | C21 | C29 | C7 | 179.5° | 179.7° |
| N1 | C21 | C6 | C18 | 179.3° | 179.7° |
| N1 | C21 | C6 | H6 | 0.7° | 0.3° |
| C16 | N5 | C29 | C21 | 1.3° | 0.0° |
| C16 | N5 | C29 | C7 | 179.1° | 180.0° |
| H16 | C16 | N5 | C29 | 178.3° | 180.0° |
| N5 | C29 | C21 | C7 | 179.6° | 180.0° |
| N5 | C29 | C21 | C6 | 179.8° | 180.0° |
| N5 | C29 | C7 | C8 | 179.9° | 180.0° |
| N5 | C29 | C7 | H7 | 0.1° | 0.0° |
| C21 | C29 | C7 | C8 | 0.3° | 0.1° |
| C21 | C29 | C7 | H7 | 179.7° | 180.0° |
| C29 | C21 | C6 | C18 | 0.4° | 0.0° |
| C29 | C21 | C6 | H6 | 179.6° | 180.0° |
| C7 | C29 | C21 | C6 | 0.5° | 0.1° |
| C29 | C7 | C8 | H7 | 180.0° | 179.9° |
| C29 | C7 | C8 | C18 | 0.2° | 0.0° |
| C29 | C7 | C8 | H8 | 179.9° | 180.0° |
| C21 | C6 | C18 | C8 | 0.0° | 0.0° |
| C21 | C6 | C18 | H6 | 180.0° | 180.0° |
| C21 | C6 | C18 | H18 | 180.0° | 180.0° |
| C7 | C8 | C18 | H8 | 180.0° | 180.0° |
| C7 | C8 | C18 | C6 | 0.3° | 0.0° |
| C7 | C8 | C18 | H18 | 179.7° | 180.0° |
| H7 | C7 | C8 | C18 | 179.8° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C18 | C6 | H18 | 180.0° | 180.0° |
| C8 | C18 | C6 | H6 | 180.0° | 180.0° |
| H8 | C8 | C18 | C6 | 179.7° | 180.0° |
| H8 | C8 | C18 | H18 | 0.3° | 0.0° |
| H18 | C18 | C6 | H6 | 0.0° | 0.0° |
