BH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C9 | sing | 1.54Å | 1.58Å | |
| C1 | N3 | sing | 1.48Å | 1.55Å | |
| C1 | H11 | sing | 1.10Å | 1.12Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | H55 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H66 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | H77 | sing | 1.09Å | 1.10Å | |
| C8 | H88 | sing | 1.09Å | 1.10Å | |
| C9 | O1 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | sing | 1.52Å | 1.55Å | |
| C9 | H99 | sing | 1.10Å | 1.11Å | |
| C10 | N1 | sing | 1.47Å | 1.45Å | |
| C10 | H101 | sing | 1.10Å | 1.12Å | |
| C10 | H102 | sing | 1.10Å | 1.12Å | |
| N1 | S1 | sing | 1.70Å | 1.75Å | |
| N1 | N2 | sing | 1.47Å | 1.42Å | |
| S1 | O2 | doub | 1.45Å | 1.43Å | |
| S1 | C12 | sing | 1.77Å | 1.77Å | |
| S1 | O8 | doub | 1.45Å | 1.44Å | |
| N2 | C11 | sing | 1.39Å | 1.35Å | |
| N2 | C15 | sing | 1.45Å | 1.48Å | |
| N3 | C11 | sing | 1.41Å | 1.40Å | |
| N3 | C14 | sing | 1.46Å | 1.51Å | |
| C11 | O3 | doub | 1.24Å | 1.24Å | |
| C14 | C22 | sing | 1.50Å | 1.51Å | |
| C14 | H141 | sing | 1.10Å | 1.12Å | |
| C14 | H142 | sing | 1.10Å | 1.12Å | |
| C15 | C28 | sing | 1.50Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.10Å | 1.11Å | |
| C12 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | H117 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | H118 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | O4 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | H220 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | H223 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | H224 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| C25 | O5 | sing | 1.36Å | 1.38Å | |
| C26 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | H226 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | H227 | sing | 1.09Å | 1.10Å | |
| C31 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | H331 | sing | 1.09Å | 1.10Å | |
| C32 | C34 | doub | 1.39Å | 1.42Å | Aromatic |
| C32 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C33 | C16 | sing | 1.43Å | 1.43Å | |
| C34 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | H334 | sing | 1.09Å | 1.10Å | |
| C13 | H113 | sing | 1.09Å | 1.10Å | |
| C16 | N4 | trip | 1.16Å | 1.16Å | |
| HO1 | O5 | sing | 0.97Å | 0.95Å | |
| HO2 | O4 | sing | 0.97Å | 0.95Å | |
| HO3 | O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C9 | 114.0° | 114.3° |
| C2 | C1 | N3 | 108.1° | 111.4° |
| C2 | C1 | H11 | 109.9° | 104.6° |
| C1 | C2 | C3 | 111.6° | 111.3° |
| C1 | C2 | H21 | 111.4° | 109.0° |
| C1 | C2 | H22 | 111.5° | 109.0° |
| C9 | C1 | N3 | 116.0° | 113.8° |
| C9 | C1 | H11 | 100.7° | 105.8° |
| C1 | C9 | O1 | 109.1° | 109.6° |
| C1 | C9 | C10 | 115.1° | 114.1° |
| C1 | C9 | H99 | 105.2° | 109.0° |
| N3 | C1 | H11 | 107.6° | 105.9° |
| C1 | N3 | C11 | 125.8° | 124.5° |
| C1 | N3 | C14 | 120.7° | 115.6° |
| C3 | C2 | H21 | 111.4° | 110.3° |
| C3 | C2 | H22 | 111.4° | 110.3° |
| C2 | C3 | C4 | 120.6° | 119.7° |
| C2 | C3 | C8 | 120.7° | 119.7° |
| H21 | C2 | H22 | 98.9° | 106.7° |
| C4 | C3 | C8 | 118.7° | 120.7° |
| C3 | C4 | C5 | 120.8° | 119.6° |
| C3 | C4 | H44 | 120.0° | 120.9° |
| C3 | C8 | C7 | 120.6° | 119.6° |
| C3 | C8 | H88 | 120.2° | 120.8° |
| C5 | C4 | H44 | 119.2° | 119.5° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C4 | C5 | H55 | 119.9° | 120.0° |
| C6 | C5 | H55 | 120.2° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C5 | C6 | H66 | 120.0° | 119.9° |
| C7 | C6 | H66 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C6 | C7 | H77 | 120.1° | 120.0° |
| C8 | C7 | H77 | 119.9° | 120.0° |
| C7 | C8 | H88 | 119.2° | 119.6° |
| O1 | C9 | C10 | 107.6° | 107.3° |
| O1 | C9 | H99 | 113.1° | 106.7° |
| C9 | O1 | HO3 | 109.5° | 106.3° |
| C10 | C9 | H99 | 106.8° | 109.9° |
| C9 | C10 | N1 | 108.4° | 110.7° |
| C9 | C10 | H101 | 112.6° | 111.4° |
| C9 | C10 | H102 | 112.6° | 110.4° |
| N1 | C10 | H101 | 112.6° | 109.7° |
| N1 | C10 | H102 | 112.6° | 109.4° |
| C10 | N1 | S1 | 121.7° | 118.9° |
| C10 | N1 | N2 | 121.2° | 117.0° |
| H101 | C10 | H102 | 97.8° | 105.0° |
| S1 | N1 | N2 | 116.1° | 116.1° |
| N1 | S1 | O2 | 107.2° | 109.4° |
| N1 | S1 | C12 | 107.2° | 100.3° |
| N1 | S1 | O8 | 104.4° | 109.3° |
| N1 | N2 | C11 | 120.0° | 120.7° |
| N1 | N2 | C15 | 119.4° | 111.6° |
| O2 | S1 | C12 | 111.7° | 107.6° |
| O2 | S1 | O8 | 120.9° | 120.7° |
| C12 | S1 | O8 | 104.6° | 107.7° |
| S1 | C12 | C31 | 120.4° | 119.3° |
| S1 | C12 | C32 | 119.2° | 119.2° |
| C11 | N2 | C15 | 120.3° | 123.1° |
| N2 | C11 | N3 | 120.9° | 117.1° |
| N2 | C11 | O3 | 119.7° | 121.0° |
| N2 | C15 | C28 | 119.1° | 112.0° |
| N2 | C15 | H151 | 108.8° | 108.0° |
| N2 | C15 | H152 | 108.7° | 107.8° |
| C11 | N3 | C14 | 113.4° | 118.0° |
| N3 | C11 | O3 | 119.5° | 121.9° |
| N3 | C14 | C22 | 122.5° | 112.0° |
| N3 | C14 | H141 | 107.6° | 107.9° |
| N3 | C14 | H142 | 107.6° | 107.8° |
| C22 | C14 | H141 | 107.6° | 110.7° |
| C22 | C14 | H142 | 107.6° | 111.0° |
| C14 | C22 | C17 | 121.4° | 119.7° |
| C14 | C22 | C21 | 119.5° | 119.6° |
| H141 | C14 | H142 | 102.2° | 107.3° |
| C28 | C15 | H151 | 108.7° | 110.6° |
| C28 | C15 | H152 | 108.7° | 111.0° |
| C15 | C28 | C23 | 121.3° | 119.7° |
| C15 | C28 | C27 | 120.0° | 119.6° |
| H151 | C15 | H152 | 101.3° | 107.3° |
| C31 | C12 | C32 | 120.4° | 121.5° |
| C12 | C31 | C33 | 119.2° | 119.2° |
| C12 | C31 | H331 | 120.1° | 120.5° |
| C12 | C32 | C34 | 120.0° | 119.2° |
| C12 | C32 | H332 | 120.1° | 121.4° |
| C18 | C17 | C22 | 120.2° | 119.6° |
| C18 | C17 | H117 | 119.6° | 119.5° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H118 | 119.8° | 119.7° |
| C22 | C17 | H117 | 120.2° | 120.8° |
| C17 | C22 | C21 | 119.1° | 120.7° |
| C19 | C18 | H118 | 119.9° | 120.3° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | O4 | 120.5° | 120.0° |
| C20 | C19 | O4 | 119.5° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H220 | 120.4° | 120.4° |
| C19 | O4 | HO2 | 109.5° | 110.3° |
| C21 | C20 | H220 | 119.9° | 119.6° |
| C20 | C21 | C22 | 120.7° | 119.6° |
| C20 | C21 | H221 | 119.3° | 119.5° |
| C22 | C21 | H221 | 120.0° | 120.9° |
| C24 | C23 | C28 | 120.5° | 119.7° |
| C24 | C23 | H223 | 119.8° | 119.4° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C23 | C24 | H224 | 120.2° | 119.7° |
| C28 | C23 | H223 | 119.7° | 120.9° |
| C23 | C28 | C27 | 118.6° | 120.7° |
| C25 | C24 | H224 | 119.8° | 120.3° |
| C24 | C25 | C26 | 119.8° | 120.0° |
| C24 | C25 | O5 | 120.5° | 120.0° |
| C26 | C25 | O5 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H226 | 120.1° | 120.3° |
| C25 | O5 | HO1 | 109.5° | 110.3° |
| C27 | C26 | H226 | 119.9° | 119.7° |
| C26 | C27 | C28 | 121.0° | 119.6° |
| C26 | C27 | H227 | 119.1° | 119.5° |
| C28 | C27 | H227 | 119.8° | 120.9° |
| C33 | C31 | H331 | 120.7° | 120.3° |
| C31 | C33 | C13 | 121.0° | 120.0° |
| C31 | C33 | C16 | 119.2° | 120.0° |
| C34 | C32 | H332 | 119.9° | 119.4° |
| C32 | C34 | C13 | 120.0° | 120.0° |
| C32 | C34 | H334 | 119.9° | 119.9° |
| C13 | C33 | C16 | 119.8° | 120.0° |
| C33 | C13 | C34 | 119.4° | 120.0° |
| C33 | C13 | H113 | 120.2° | 120.8° |
| C33 | C16 | N4 | 178.0° | 179.9° |
| C13 | C34 | H334 | 120.1° | 120.0° |
| C34 | C13 | H113 | 120.4° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C9 | N3 | 126.6° | 129.6° |
| C2 | C1 | C9 | H11 | 117.6° | 114.6° |
| C2 | C1 | N3 | H11 | 118.6° | 113.2° |
| C1 | C2 | C3 | H21 | 125.3° | 121.2° |
| C1 | C2 | C3 | H22 | 125.3° | 121.2° |
| C1 | C2 | H21 | H22 | 117.4° | 117.6° |
| C1 | C2 | C3 | C4 | 76.4° | 90.1° |
| C1 | C2 | C3 | C8 | 103.0° | 90.0° |
| C2 | C1 | C9 | O1 | 53.6° | 61.0° |
| C2 | C1 | C9 | C10 | 67.4° | 59.4° |
| C2 | C1 | C9 | H99 | 175.3° | 177.4° |
| C2 | C1 | N3 | C11 | 65.9° | 56.6° |
| C2 | C1 | N3 | C14 | 110.3° | 107.8° |
| C9 | C1 | N3 | H11 | 111.8° | 115.8° |
| C9 | C1 | C2 | C3 | 172.1° | 155.2° |
| C9 | C1 | C2 | H21 | 62.7° | 82.9° |
| C9 | C1 | C2 | H22 | 46.8° | 33.2° |
| C1 | C9 | O1 | C10 | 125.5° | 124.5° |
| C1 | C9 | O1 | H99 | 116.7° | 117.8° |
| C1 | C9 | C10 | H99 | 116.4° | 122.7° |
| C1 | C9 | C10 | N1 | 59.5° | 61.8° |
| C1 | C9 | C10 | H101 | 175.2° | 60.6° |
| C1 | C9 | C10 | H102 | 65.8° | 176.8° |
| C9 | C1 | N3 | C11 | 63.6° | 74.4° |
| C9 | C1 | N3 | C14 | 120.2° | 121.2° |
| C1 | C9 | O1 | HO3 | 137.5° | 154.0° |
| N3 | C1 | C2 | C3 | 57.3° | 74.1° |
| N3 | C1 | C2 | H21 | 68.0° | 47.9° |
| N3 | C1 | C2 | H22 | 177.5° | 164.0° |
| N3 | C1 | C9 | O1 | 179.8° | 169.4° |
| N3 | C1 | C9 | C10 | 59.2° | 70.2° |
| N3 | C1 | C9 | H99 | 58.1° | 53.0° |
| C1 | N3 | C11 | N2 | 32.6° | 30.1° |
| C1 | N3 | C11 | C14 | 176.4° | 164.1° |
| C1 | N3 | C11 | O3 | 148.5° | 149.0° |
| C1 | N3 | C14 | C22 | 33.6° | 104.6° |
| C1 | N3 | C14 | H141 | 158.9° | 133.4° |
| C1 | N3 | C14 | H142 | 91.7° | 17.9° |
| H11 | C1 | C2 | C3 | 59.9° | 39.9° |
| H11 | C1 | C2 | H21 | 174.9° | 161.9° |
| H11 | C1 | C2 | H22 | 65.4° | 82.0° |
| H11 | C1 | C9 | O1 | 64.0° | 53.6° |
| H11 | C1 | C9 | C10 | 174.9° | 174.0° |
| H11 | C1 | C9 | H99 | 57.6° | 62.8° |
| H11 | C1 | N3 | C11 | 175.5° | 169.8° |
| H11 | C1 | N3 | C14 | 8.4° | 5.4° |
| C3 | C2 | H21 | H22 | 117.3° | 119.9° |
| C2 | C3 | C4 | C8 | 179.5° | 179.9° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C2 | C3 | C4 | H44 | 0.5° | 0.1° |
| C2 | C3 | C8 | C7 | 179.5° | 179.9° |
| C2 | C3 | C8 | H88 | 0.5° | 0.0° |
| H21 | C2 | C3 | C4 | 158.3° | 31.1° |
| H21 | C2 | C3 | C8 | 22.2° | 148.8° |
| H22 | C2 | C3 | C4 | 48.8° | 148.7° |
| H22 | C2 | C3 | C8 | 131.7° | 31.2° |
| C3 | C4 | C5 | H44 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H55 | 179.9° | 180.0° |
| C4 | C3 | C8 | C7 | 0.0° | 0.0° |
| C4 | C3 | C8 | H88 | 180.0° | 180.0° |
| C8 | C3 | C4 | C5 | 0.0° | 0.0° |
| C8 | C3 | C4 | H44 | 180.0° | 180.0° |
| C3 | C8 | C7 | C6 | 0.0° | 0.0° |
| C3 | C8 | C7 | H88 | 180.0° | 180.0° |
| C3 | C8 | C7 | H77 | 180.0° | 180.0° |
| C4 | C5 | C6 | H55 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C4 | C5 | C6 | H66 | 180.0° | 180.0° |
| H44 | C4 | C5 | C6 | 180.0° | 180.0° |
| H44 | C4 | C5 | H55 | 0.0° | 0.0° |
| C5 | C6 | C7 | H66 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H77 | 180.0° | 180.0° |
| H55 | C5 | C6 | C7 | 180.0° | 180.0° |
| H55 | C5 | C6 | H66 | 0.1° | 0.0° |
| C6 | C7 | C8 | H77 | 180.0° | 179.9° |
| C6 | C7 | C8 | H88 | 179.9° | 180.0° |
| H66 | C6 | C7 | C8 | 180.0° | 180.0° |
| H66 | C6 | C7 | H77 | 0.0° | 0.0° |
| H77 | C7 | C8 | H88 | 0.0° | 0.1° |
| O1 | C9 | C10 | H99 | 121.7° | 115.6° |
| O1 | C9 | C10 | N1 | 178.7° | 176.5° |
| O1 | C9 | C10 | H101 | 53.4° | 61.1° |
| O1 | C9 | C10 | H102 | 56.1° | 55.2° |
| C9 | C10 | N1 | H101 | 125.3° | 123.4° |
| C9 | C10 | N1 | H102 | 125.3° | 121.9° |
| C9 | C10 | H101 | H102 | 118.6° | 119.6° |
| C9 | C10 | N1 | S1 | 86.1° | 73.8° |
| C9 | C10 | N1 | N2 | 81.9° | 73.8° |
| C10 | C9 | O1 | HO3 | 96.9° | 81.6° |
| H99 | C9 | C10 | N1 | 56.9° | 60.9° |
| H99 | C9 | C10 | H101 | 68.4° | 176.7° |
| H99 | C9 | C10 | H102 | 177.8° | 60.4° |
| H99 | C9 | O1 | HO3 | 20.8° | 36.1° |
| N1 | C10 | H101 | H102 | 118.5° | 117.5° |
| C10 | N1 | S1 | N2 | 168.6° | 147.9° |
| C10 | N1 | S1 | O2 | 34.7° | 172.9° |
| C10 | N1 | S1 | C12 | 85.4° | 60.0° |
| C10 | N1 | S1 | O8 | 164.0° | 53.0° |
| C10 | N1 | N2 | C11 | 82.8° | 83.4° |
| C10 | N1 | N2 | C15 | 103.0° | 120.0° |
| H101 | C10 | N1 | S1 | 39.2° | 162.8° |
| H101 | C10 | N1 | N2 | 152.8° | 49.6° |
| H102 | C10 | N1 | S1 | 148.7° | 48.2° |
| H102 | C10 | N1 | N2 | 43.4° | 164.3° |
| N1 | S1 | O2 | C12 | 117.2° | 108.1° |
| N1 | S1 | O2 | O8 | 119.2° | 128.0° |
| N1 | S1 | C12 | O8 | 110.5° | 114.2° |
| S1 | N1 | N2 | C11 | 85.8° | 65.1° |
| S1 | N1 | N2 | C15 | 88.3° | 91.5° |
| N1 | S1 | C12 | C31 | 90.9° | 60.0° |
| N1 | S1 | C12 | C32 | 89.3° | 120.0° |
| N2 | N1 | S1 | O2 | 133.9° | 39.2° |
| N2 | N1 | S1 | C12 | 106.1° | 152.1° |
| N2 | N1 | S1 | O8 | 4.5° | 94.9° |
| N1 | N2 | C11 | C15 | 174.0° | 153.8° |
| N1 | N2 | C11 | N3 | 27.5° | 38.8° |
| N1 | N2 | C11 | O3 | 151.3° | 142.1° |
| N1 | N2 | C15 | C28 | 52.1° | 114.0° |
| N1 | N2 | C15 | H151 | 177.3° | 124.0° |
| N1 | N2 | C15 | H152 | 73.1° | 8.4° |
| O2 | S1 | C12 | O8 | 132.4° | 131.5° |
| O2 | S1 | C12 | C31 | 26.2° | 54.3° |
| O2 | S1 | C12 | C32 | 153.5° | 125.7° |
| S1 | C12 | C31 | C32 | 179.7° | 180.0° |
| S1 | C12 | C31 | C33 | 179.8° | 180.0° |
| S1 | C12 | C31 | H331 | 0.2° | 0.0° |
| S1 | C12 | C32 | C34 | 179.9° | 180.0° |
| S1 | C12 | C32 | H332 | 0.1° | 0.0° |
| O8 | S1 | C12 | C31 | 158.6° | 174.2° |
| O8 | S1 | C12 | C32 | 21.1° | 5.8° |
| N2 | C11 | N3 | O3 | 178.9° | 179.1° |
| N2 | C11 | N3 | C14 | 151.0° | 165.9° |
| C11 | N2 | C15 | C28 | 133.8° | 90.1° |
| C11 | N2 | C15 | H151 | 8.6° | 31.9° |
| C11 | N2 | C15 | H152 | 101.0° | 147.5° |
| C15 | N2 | C11 | N3 | 158.4° | 167.4° |
| C15 | N2 | C11 | O3 | 22.7° | 11.7° |
| N2 | C15 | C28 | H151 | 125.2° | 120.5° |
| N2 | C15 | C28 | H152 | 125.2° | 120.5° |
| N2 | C15 | H151 | H152 | 114.5° | 115.9° |
| N2 | C15 | C28 | C23 | 57.0° | 90.0° |
| N2 | C15 | C28 | C27 | 123.7° | 90.0° |
| C11 | N3 | C14 | C22 | 149.8° | 90.0° |
| C11 | N3 | C14 | H141 | 24.5° | 32.0° |
| C11 | N3 | C14 | H142 | 84.9° | 147.6° |
| C14 | N3 | C11 | O3 | 27.9° | 15.1° |
| N3 | C14 | C22 | H141 | 125.3° | 120.4° |
| N3 | C14 | C22 | H142 | 125.3° | 120.5° |
| N3 | C14 | H141 | H142 | 113.1° | 115.9° |
| N3 | C14 | C22 | C17 | 64.0° | 90.0° |
| N3 | C14 | C22 | C21 | 116.9° | 90.0° |
| C22 | C14 | H141 | H142 | 113.1° | 121.3° |
| C14 | C22 | C17 | C18 | 179.1° | 180.0° |
| C14 | C22 | C17 | C21 | 179.2° | 180.0° |
| C14 | C22 | C17 | H117 | 0.9° | 0.0° |
| C14 | C22 | C21 | C20 | 179.2° | 180.0° |
| C14 | C22 | C21 | H221 | 0.8° | 0.0° |
| H141 | C14 | C22 | C17 | 61.3° | 149.5° |
| H141 | C14 | C22 | C21 | 117.9° | 30.5° |
| H142 | C14 | C22 | C17 | 170.7° | 30.5° |
| H142 | C14 | C22 | C21 | 8.4° | 149.5° |
| C28 | C15 | H151 | H152 | 114.5° | 121.3° |
| C15 | C28 | C23 | C24 | 179.5° | 180.0° |
| C15 | C28 | C23 | C27 | 179.4° | 179.9° |
| C15 | C28 | C23 | H223 | 0.5° | 0.0° |
| C15 | C28 | C27 | C26 | 179.6° | 180.0° |
| C15 | C28 | C27 | H227 | 0.4° | 0.0° |
| H151 | C15 | C28 | C23 | 68.3° | 149.6° |
| H151 | C15 | C28 | C27 | 111.1° | 30.5° |
| H152 | C15 | C28 | C23 | 177.8° | 30.5° |
| H152 | C15 | C28 | C27 | 1.5° | 149.5° |
| C12 | C31 | C33 | H331 | 180.0° | 180.0° |
| C31 | C12 | C32 | C34 | 0.2° | 0.0° |
| C31 | C12 | C32 | H332 | 179.8° | 180.0° |
| C12 | C31 | C33 | C13 | 0.0° | 0.0° |
| C12 | C31 | C33 | C16 | 179.7° | 180.0° |
| C32 | C12 | C31 | C33 | 0.1° | 0.0° |
| C32 | C12 | C31 | H331 | 179.9° | 180.0° |
| C12 | C32 | C34 | H332 | 180.0° | 179.9° |
| C12 | C32 | C34 | C13 | 0.1° | 0.1° |
| C12 | C32 | C34 | H334 | 179.9° | 179.9° |
| C18 | C17 | C22 | H117 | 180.0° | 180.0° |
| C17 | C18 | C19 | H118 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | O4 | 179.8° | 179.9° |
| C18 | C17 | C22 | C21 | 0.0° | 0.0° |
| C22 | C17 | C18 | C19 | 0.0° | 0.0° |
| C22 | C17 | C18 | H118 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.0° | 0.0° |
| C17 | C22 | C21 | H221 | 180.0° | 180.0° |
| H117 | C17 | C18 | C19 | 180.0° | 180.0° |
| H117 | C17 | C18 | H118 | 0.0° | 0.1° |
| H117 | C17 | C22 | C21 | 179.9° | 180.0° |
| C18 | C19 | C20 | O4 | 179.8° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H220 | 179.9° | 180.0° |
| C18 | C19 | O4 | HO2 | 19.9° | 36.2° |
| H118 | C18 | C19 | C20 | 179.9° | 179.9° |
| H118 | C18 | C19 | O4 | 0.1° | 0.0° |
| C19 | C20 | C21 | H220 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H221 | 179.9° | 180.0° |
| C20 | C19 | O4 | HO2 | 160.4° | 143.7° |
| O4 | C19 | C20 | C21 | 179.9° | 179.9° |
| O4 | C19 | C20 | H220 | 0.1° | 0.0° |
| C20 | C21 | C22 | H221 | 180.0° | 180.0° |
| H220 | C20 | C21 | C22 | 179.9° | 179.9° |
| H220 | C20 | C21 | H221 | 0.1° | 0.1° |
| C24 | C23 | C28 | H223 | 180.0° | 180.0° |
| C23 | C24 | C25 | H224 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | O5 | 180.0° | 179.9° |
| C24 | C23 | C28 | C27 | 0.1° | 0.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.0° |
| C28 | C23 | C24 | H224 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.2° | 0.0° |
| C23 | C28 | C27 | H227 | 179.8° | 180.0° |
| H223 | C23 | C24 | C25 | 179.9° | 180.0° |
| H223 | C23 | C24 | H224 | 0.1° | 0.0° |
| H223 | C23 | C28 | C27 | 179.9° | 180.0° |
| C24 | C25 | C26 | O5 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C24 | C25 | C26 | H226 | 179.9° | 180.0° |
| C24 | C25 | O5 | HO1 | 66.8° | 34.3° |
| H224 | C24 | C25 | C26 | 179.9° | 180.0° |
| H224 | C24 | C25 | O5 | 0.0° | 0.0° |
| C25 | C26 | C27 | H226 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C25 | C26 | C27 | H227 | 179.8° | 180.0° |
| C26 | C25 | O5 | HO1 | 113.2° | 145.7° |
| O5 | C25 | C26 | C27 | 179.9° | 179.9° |
| O5 | C25 | C26 | H226 | 0.0° | 0.0° |
| C26 | C27 | C28 | H227 | 180.0° | 180.0° |
| H226 | C26 | C27 | C28 | 179.8° | 180.0° |
| H226 | C26 | C27 | H227 | 0.2° | 0.0° |
| C31 | C33 | C13 | C16 | 179.7° | 180.0° |
| C31 | C33 | C13 | C34 | 0.1° | 0.0° |
| C31 | C33 | C13 | H113 | 179.9° | 180.0° |
| C31 | C33 | C16 | N4 | 111.6° | 70.4° |
| H331 | C31 | C33 | C13 | 180.0° | 180.0° |
| H331 | C31 | C33 | C16 | 0.3° | 0.0° |
| C32 | C34 | C13 | C33 | 0.1° | 0.0° |
| C32 | C34 | C13 | H334 | 180.0° | 179.9° |
| C32 | C34 | C13 | H113 | 179.9° | 180.0° |
| H332 | C32 | C34 | C13 | 179.9° | 180.0° |
| H332 | C32 | C34 | H334 | 0.1° | 0.1° |
| C33 | C13 | C34 | H113 | 180.0° | 180.0° |
| C33 | C13 | C34 | H334 | 179.9° | 179.9° |
| C13 | C33 | C16 | N4 | 68.0° | 109.6° |
| C16 | C33 | C13 | C34 | 179.8° | 180.0° |
| C16 | C33 | C13 | H113 | 0.2° | 0.0° |
| H334 | C34 | C13 | H113 | 0.0° | 0.1° |
