JOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.55Å | 1.61Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.30Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | doub | 1.34Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | C13 | sing | 1.44Å | 1.33Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.34Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | O2 | sing | 1.44Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O2 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21A | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.54Å | 1.59Å | |
| C3 | O6 | sing | 1.42Å | 1.43Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C17 | C18 | sing | 1.50Å | 1.55Å | |
| C17 | O6 | sing | 1.37Å | 1.37Å | |
| C17 | O7 | doub | 1.22Å | 1.25Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.55Å | |
| C4 | O5 | sing | 1.44Å | 1.45Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C19 | O5 | sing | 1.42Å | 1.45Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.56Å | 1.55Å | |
| C5 | O1A | sing | 1.44Å | 1.41Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | C20 | sing | 1.54Å | 1.56Å | |
| C6 | C7 | sing | 1.55Å | 1.57Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.50Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | O4 | doub | 1.23Å | 1.23Å | |
| C21 | H21 | sing | 1.10Å | 1.08Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C22 | sing | 1.54Å | 1.56Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1A | O5A | sing | 1.43Å | 1.46Å | |
| C1A | C2A | sing | 1.53Å | 1.55Å | |
| C1A | O1A | sing | 1.42Å | 1.52Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C2A | C3A | sing | 1.54Å | 1.70Å | |
| C2A | O2A | sing | 1.43Å | 1.42Å | |
| C2A | H2A | sing | 1.10Å | 1.10Å | |
| C3A | N3A | sing | 1.46Å | 1.51Å | |
| C3A | C4A | sing | 1.54Å | 1.53Å | |
| C3A | H3A | sing | 1.10Å | 1.10Å | |
| C4A | O1B | sing | 1.43Å | 1.52Å | |
| C4A | C5A | sing | 1.54Å | 1.61Å | |
| C4A | H4A | sing | 1.10Å | 1.10Å | |
| C5A | C6A | sing | 1.53Å | 1.43Å | |
| C5A | O5A | sing | 1.43Å | 1.44Å | |
| C5A | H5A | sing | 1.10Å | 1.10Å | |
| C6A | H6A1 | sing | 1.09Å | 1.10Å | |
| C6A | H6A2 | sing | 1.09Å | 1.10Å | |
| C6A | H6A3 | sing | 1.09Å | 1.10Å | |
| C7A | N3A | sing | 1.46Å | 1.46Å | |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| C7A | H7A3 | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| N3A | C8A | sing | 1.46Å | 1.54Å | |
| C1B | O5B | sing | 1.43Å | 1.49Å | |
| C1B | C2B | sing | 1.53Å | 1.56Å | |
| C1B | O1B | sing | 1.42Å | 1.42Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2B | C3B | sing | 1.54Å | 1.52Å | |
| C2B | H2B1 | sing | 1.10Å | 1.10Å | |
| C2B | H2B2 | sing | 1.10Å | 1.10Å | |
| C3B | C4B | sing | 1.54Å | 1.59Å | |
| C3B | C7B | sing | 1.53Å | 1.49Å | |
| C3B | O3B | sing | 1.43Å | 1.46Å | |
| C4B | O4B | sing | 1.42Å | 1.56Å | |
| C4B | C5B | sing | 1.53Å | 1.52Å | |
| C4B | H4B | sing | 1.10Å | 1.10Å | |
| C5B | C6B | sing | 1.53Å | 1.52Å | |
| C5B | O5B | sing | 1.43Å | 1.46Å | |
| C5B | H5B | sing | 1.10Å | 1.10Å | |
| C6B | H6B1 | sing | 1.09Å | 1.10Å | |
| C6B | H6B2 | sing | 1.09Å | 1.10Å | |
| C6B | H6B3 | sing | 1.09Å | 1.10Å | |
| C7B | H7B1 | sing | 1.09Å | 1.10Å | |
| C7B | H7B2 | sing | 1.09Å | 1.10Å | |
| C7B | H7B3 | sing | 1.09Å | 1.10Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| O4B | C1C | sing | 1.37Å | 1.31Å | |
| C1C | O1C | doub | 1.22Å | 1.22Å | |
| C1C | C2C | sing | 1.51Å | 1.54Å | |
| C2C | C3C | sing | 1.54Å | 1.53Å | |
| C2C | H2C1 | sing | 1.10Å | 1.10Å | |
| C2C | H2C2 | sing | 1.10Å | 1.10Å | |
| C3C | C4C | sing | 1.53Å | 1.58Å | |
| C3C | C5C | sing | 1.53Å | 1.56Å | |
| C3C | H3C | sing | 1.10Å | 1.10Å | |
| C4C | H4C1 | sing | 1.10Å | 1.10Å | |
| C4C | H4C2 | sing | 1.09Å | 1.10Å | |
| C4C | H4C3 | sing | 1.09Å | 1.10Å | |
| C5C | H5C1 | sing | 1.10Å | 1.10Å | |
| C5C | H5C2 | sing | 1.09Å | 1.10Å | |
| C5C | H5C3 | sing | 1.10Å | 1.10Å | |
| C8A | H8A1 | sing | 1.09Å | 1.10Å | |
| C8A | H8A2 | sing | 1.09Å | 1.10Å | |
| C8A | H8A3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | O3 | 112.5° | 108.6° |
| C8 | C9 | C10 | 108.6° | 115.0° |
| C8 | C9 | H9 | 105.7° | 109.6° |
| C9 | C8 | C7 | 111.5° | 114.8° |
| C9 | C8 | C22 | 109.3° | 111.9° |
| C9 | C8 | H8 | 107.3° | 107.3° |
| O3 | C9 | C10 | 100.9° | 107.3° |
| O3 | C9 | H9 | 112.9° | 106.0° |
| C9 | O3 | HO3 | 109.5° | 106.0° |
| C10 | C9 | H9 | 116.5° | 109.9° |
| C9 | C10 | C11 | 123.3° | 110.8° |
| C9 | C10 | H101 | 105.1° | 110.5° |
| C9 | C10 | H102 | 101.9° | 110.6° |
| C11 | C10 | H101 | 105.1° | 109.8° |
| C11 | C10 | H102 | 101.9° | 107.8° |
| C10 | C11 | C12 | 120.6° | 122.4° |
| C10 | C11 | H11 | 119.7° | 117.3° |
| H101 | C10 | H102 | 121.0° | 107.3° |
| C12 | C11 | H11 | 119.7° | 120.2° |
| C11 | C12 | C13 | 121.8° | 124.9° |
| C11 | C12 | H12 | 119.1° | 118.2° |
| C13 | C12 | H12 | 119.1° | 116.9° |
| C12 | C13 | C14 | 141.3° | 126.0° |
| C12 | C13 | H13 | 109.4° | 116.3° |
| C14 | C13 | H13 | 109.3° | 117.8° |
| C13 | C14 | C15 | 139.5° | 129.4° |
| C13 | C14 | H14 | 110.2° | 116.4° |
| C15 | C14 | H14 | 110.2° | 114.1° |
| C14 | C15 | O2 | 109.2° | 109.7° |
| C14 | C15 | C16 | 109.1° | 110.6° |
| C14 | C15 | H15 | 109.2° | 107.7° |
| O2 | C15 | C16 | 107.0° | 110.7° |
| O2 | C15 | H15 | 111.1° | 108.0° |
| C15 | O2 | C1 | 125.7° | 119.6° |
| C16 | C15 | H15 | 111.2° | 110.0° |
| C15 | C16 | H161 | 109.5° | 110.5° |
| C15 | C16 | H162 | 109.5° | 110.6° |
| C15 | C16 | H163 | 109.4° | 110.6° |
| H161 | C16 | H162 | 109.5° | 108.4° |
| H161 | C16 | H163 | 109.5° | 108.4° |
| H162 | C16 | H163 | 109.5° | 108.4° |
| O1 | C1 | C2 | 119.4° | 124.1° |
| O1 | C1 | O2 | 121.8° | 126.4° |
| C2 | C1 | O2 | 118.8° | 109.4° |
| C1 | C2 | C3 | 110.7° | 111.7° |
| C1 | C2 | H21A | 109.0° | 107.2° |
| C1 | C2 | H22 | 108.8° | 107.6° |
| C3 | C2 | H21A | 109.1° | 112.4° |
| C3 | C2 | H22 | 108.7° | 110.8° |
| C2 | C3 | C4 | 113.2° | 114.3° |
| C2 | C3 | O6 | 106.7° | 109.6° |
| C2 | C3 | H3 | 109.9° | 107.8° |
| H21A | C2 | H22 | 110.5° | 106.9° |
| C4 | C3 | O6 | 112.3° | 109.0° |
| C4 | C3 | H3 | 103.9° | 109.1° |
| C3 | C4 | C5 | 114.4° | 117.3° |
| C3 | C4 | O5 | 109.1° | 107.7° |
| C3 | C4 | H4 | 106.5° | 109.9° |
| O6 | C3 | H3 | 110.8° | 106.7° |
| C3 | O6 | C17 | 119.7° | 115.9° |
| C18 | C17 | O6 | 119.8° | 110.0° |
| C18 | C17 | O7 | 120.7° | 124.1° |
| C17 | C18 | H181 | 109.5° | 109.9° |
| C17 | C18 | H182 | 109.5° | 109.8° |
| C17 | C18 | H183 | 109.5° | 109.3° |
| O6 | C17 | O7 | 119.5° | 126.0° |
| H181 | C18 | H182 | 109.5° | 110.6° |
| H181 | C18 | H183 | 109.4° | 108.6° |
| H182 | C18 | H183 | 109.5° | 108.5° |
| C5 | C4 | O5 | 110.0° | 106.5° |
| C5 | C4 | H4 | 105.6° | 108.6° |
| C4 | C5 | C6 | 114.5° | 117.8° |
| C4 | C5 | O1A | 110.5° | 107.6° |
| C4 | C5 | H5 | 104.7° | 108.4° |
| O5 | C4 | H4 | 111.2° | 106.3° |
| C4 | O5 | C19 | 106.2° | 111.0° |
| O5 | C19 | H191 | 109.5° | 109.5° |
| O5 | C19 | H192 | 109.5° | 109.6° |
| O5 | C19 | H193 | 109.5° | 109.0° |
| H191 | C19 | H192 | 109.5° | 110.1° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| C6 | C5 | O1A | 107.8° | 108.1° |
| C6 | C5 | H5 | 107.6° | 108.7° |
| C5 | C6 | C20 | 109.7° | 108.6° |
| C5 | C6 | C7 | 111.5° | 113.3° |
| C5 | C6 | H6 | 108.1° | 108.1° |
| O1A | C5 | H5 | 111.8° | 105.5° |
| C5 | O1A | C1A | 125.9° | 111.0° |
| C20 | C6 | C7 | 109.9° | 111.0° |
| C20 | C6 | H6 | 109.7° | 107.1° |
| C6 | C20 | C21 | 114.1° | 111.9° |
| C6 | C20 | H201 | 108.0° | 108.9° |
| C6 | C20 | H202 | 106.9° | 109.0° |
| C7 | C6 | H6 | 107.9° | 108.6° |
| C6 | C7 | C8 | 111.1° | 116.3° |
| C6 | C7 | H71 | 108.9° | 109.3° |
| C6 | C7 | H72 | 108.6° | 108.7° |
| C21 | C20 | H201 | 108.0° | 108.8° |
| C21 | C20 | H202 | 106.9° | 108.8° |
| C20 | C21 | O4 | 123.5° | 125.6° |
| C20 | C21 | H21 | 118.3° | 114.1° |
| H201 | C20 | H202 | 113.1° | 109.5° |
| O4 | C21 | H21 | 118.3° | 120.4° |
| C8 | C7 | H71 | 109.0° | 108.9° |
| C8 | C7 | H72 | 108.6° | 107.5° |
| C7 | C8 | C22 | 106.2° | 109.5° |
| C7 | C8 | H8 | 110.3° | 107.5° |
| H71 | C7 | H72 | 110.7° | 105.4° |
| C22 | C8 | H8 | 112.4° | 105.2° |
| C8 | C22 | H221 | 109.5° | 110.6° |
| C8 | C22 | H222 | 109.5° | 110.5° |
| C8 | C22 | H223 | 109.5° | 110.6° |
| H221 | C22 | H222 | 109.5° | 108.3° |
| H221 | C22 | H223 | 109.4° | 108.4° |
| H222 | C22 | H223 | 109.5° | 108.4° |
| O5A | C1A | C2A | 108.3° | 111.9° |
| O5A | C1A | O1A | 108.2° | 113.1° |
| O5A | C1A | H1A | 111.2° | 105.8° |
| C1A | O5A | C5A | 110.5° | 117.1° |
| C2A | C1A | O1A | 109.9° | 110.1° |
| C2A | C1A | H1A | 109.6° | 109.1° |
| C1A | C2A | C3A | 108.6° | 113.1° |
| C1A | C2A | O2A | 106.8° | 108.8° |
| C1A | C2A | H2A | 113.9° | 110.1° |
| O1A | C1A | H1A | 109.6° | 106.5° |
| C3A | C2A | O2A | 115.2° | 108.1° |
| C3A | C2A | H2A | 105.3° | 109.9° |
| C2A | C3A | N3A | 116.6° | 110.4° |
| C2A | C3A | C4A | 111.5° | 111.0° |
| C2A | C3A | H3A | 101.4° | 108.5° |
| O2A | C2A | H2A | 107.2° | 106.6° |
| C2A | O2A | HO2A | 109.5° | 106.5° |
| N3A | C3A | C4A | 104.0° | 110.6° |
| N3A | C3A | H3A | 109.2° | 107.8° |
| C3A | N3A | C7A | 113.0° | 110.3° |
| C3A | N3A | C8A | 115.5° | 110.3° |
| C4A | C3A | H3A | 114.6° | 108.5° |
| C3A | C4A | O1B | 104.0° | 108.3° |
| C3A | C4A | C5A | 106.4° | 114.4° |
| C3A | C4A | H4A | 118.1° | 110.5° |
| O1B | C4A | C5A | 117.6° | 108.0° |
| O1B | C4A | H4A | 106.9° | 105.3° |
| C4A | O1B | C1B | 110.6° | 111.4° |
| C5A | C4A | H4A | 104.5° | 109.9° |
| C4A | C5A | C6A | 117.1° | 114.2° |
| C4A | C5A | O5A | 107.1° | 112.2° |
| C4A | C5A | H5A | 104.8° | 107.7° |
| C6A | C5A | O5A | 105.5° | 111.6° |
| C6A | C5A | H5A | 106.4° | 105.7° |
| C5A | C6A | H6A1 | 109.5° | 110.6° |
| C5A | C6A | H6A2 | 109.5° | 110.5° |
| C5A | C6A | H6A3 | 109.5° | 110.6° |
| O5A | C5A | H5A | 116.5° | 104.6° |
| H6A1 | C6A | H6A2 | 109.4° | 108.3° |
| H6A1 | C6A | H6A3 | 109.5° | 108.3° |
| H6A2 | C6A | H6A3 | 109.5° | 108.4° |
| N3A | C7A | H7A1 | 109.5° | 110.1° |
| N3A | C7A | H7A2 | 109.5° | 110.2° |
| N3A | C7A | H7A3 | 109.5° | 110.3° |
| C7A | N3A | C8A | 103.9° | 110.6° |
| H7A1 | C7A | H7A2 | 109.5° | 108.8° |
| H7A1 | C7A | H7A3 | 109.4° | 108.8° |
| H7A2 | C7A | H7A3 | 109.5° | 108.7° |
| N3A | C8A | H8A1 | 109.5° | 110.1° |
| N3A | C8A | H8A2 | 109.5° | 110.2° |
| N3A | C8A | H8A3 | 109.5° | 110.3° |
| O5B | C1B | C2B | 108.5° | 111.1° |
| O5B | C1B | O1B | 114.7° | 112.6° |
| O5B | C1B | H1B | 106.9° | 107.1° |
| C1B | O5B | C5B | 120.0° | 113.9° |
| C2B | C1B | O1B | 110.4° | 110.2° |
| C2B | C1B | H1B | 111.5° | 109.0° |
| C1B | C2B | C3B | 114.2° | 112.5° |
| C1B | C2B | H2B1 | 107.9° | 108.4° |
| C1B | C2B | H2B2 | 106.8° | 109.2° |
| O1B | C1B | H1B | 104.8° | 106.7° |
| C3B | C2B | H2B1 | 107.9° | 108.6° |
| C3B | C2B | H2B2 | 106.9° | 109.7° |
| C2B | C3B | C4B | 107.5° | 109.4° |
| C2B | C3B | C7B | 111.5° | 110.2° |
| C2B | C3B | O3B | 110.5° | 109.3° |
| H2B1 | C2B | H2B2 | 113.2° | 108.4° |
| C4B | C3B | C7B | 108.3° | 111.9° |
| C4B | C3B | O3B | 109.5° | 109.9° |
| C3B | C4B | O4B | 114.9° | 110.9° |
| C3B | C4B | C5B | 112.9° | 111.6° |
| C3B | C4B | H4B | 101.7° | 108.6° |
| C7B | C3B | O3B | 109.4° | 106.1° |
| C3B | C7B | H7B1 | 109.5° | 110.6° |
| C3B | C7B | H7B2 | 109.4° | 110.6° |
| C3B | C7B | H7B3 | 109.4° | 110.6° |
| C3B | O3B | HO3B | 109.5° | 106.2° |
| O4B | C4B | C5B | 104.8° | 109.1° |
| O4B | C4B | H4B | 110.4° | 107.6° |
| C4B | O4B | C1C | 120.8° | 115.8° |
| C5B | C4B | H4B | 112.4° | 108.9° |
| C4B | C5B | C6B | 115.4° | 111.6° |
| C4B | C5B | O5B | 108.2° | 110.5° |
| C4B | C5B | H5B | 104.9° | 110.8° |
| C6B | C5B | O5B | 104.7° | 107.2° |
| C6B | C5B | H5B | 108.4° | 107.1° |
| C5B | C6B | H6B1 | 109.5° | 110.6° |
| C5B | C6B | H6B2 | 109.5° | 110.6° |
| C5B | C6B | H6B3 | 109.4° | 110.6° |
| O5B | C5B | H5B | 115.6° | 109.5° |
| H6B1 | C6B | H6B2 | 109.4° | 108.3° |
| H6B1 | C6B | H6B3 | 109.5° | 108.4° |
| H6B2 | C6B | H6B3 | 109.5° | 108.3° |
| H7B1 | C7B | H7B2 | 109.5° | 108.3° |
| H7B1 | C7B | H7B3 | 109.4° | 108.4° |
| H7B2 | C7B | H7B3 | 109.5° | 108.4° |
| O4B | C1C | O1C | 129.8° | 125.5° |
| O4B | C1C | C2C | 106.5° | 109.3° |
| O1C | C1C | C2C | 123.7° | 125.2° |
| C1C | C2C | C3C | 109.1° | 113.1° |
| C1C | C2C | H2C1 | 109.6° | 108.8° |
| C1C | C2C | H2C2 | 109.7° | 106.7° |
| C3C | C2C | H2C1 | 109.6° | 109.6° |
| C3C | C2C | H2C2 | 109.7° | 110.1° |
| C2C | C3C | C4C | 108.0° | 111.4° |
| C2C | C3C | C5C | 113.3° | 110.0° |
| C2C | C3C | H3C | 107.4° | 109.4° |
| H2C1 | C2C | H2C2 | 109.2° | 108.3° |
| C4C | C3C | C5C | 107.8° | 109.8° |
| C4C | C3C | H3C | 112.9° | 108.2° |
| C3C | C4C | H4C1 | 109.5° | 111.3° |
| C3C | C4C | H4C2 | 109.4° | 110.7° |
| C3C | C4C | H4C3 | 109.5° | 111.4° |
| C5C | C3C | H3C | 107.6° | 107.9° |
| C3C | C5C | H5C1 | 109.5° | 111.4° |
| C3C | C5C | H5C2 | 109.5° | 110.8° |
| C3C | C5C | H5C3 | 109.5° | 110.8° |
| H4C1 | C4C | H4C2 | 109.5° | 107.9° |
| H4C1 | C4C | H4C3 | 109.4° | 108.0° |
| H4C2 | C4C | H4C3 | 109.5° | 107.5° |
| H5C1 | C5C | H5C2 | 109.4° | 108.0° |
| H5C1 | C5C | H5C3 | 109.5° | 108.0° |
| H5C2 | C5C | H5C3 | 109.5° | 107.6° |
| H8A1 | C8A | H8A2 | 109.4° | 108.7° |
| H8A1 | C8A | H8A3 | 109.5° | 108.8° |
| H8A2 | C8A | H8A3 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | O3 | C10 | 115.6° | 124.9° |
| C8 | C9 | O3 | H9 | 119.4° | 117.7° |
| C8 | C9 | C10 | H9 | 119.1° | 124.2° |
| C8 | C9 | C10 | C11 | 142.8° | 159.4° |
| C8 | C9 | C10 | H101 | 97.2° | 37.6° |
| C8 | C9 | C10 | H102 | 29.9° | 81.1° |
| C9 | C8 | C7 | C6 | 65.2° | 52.8° |
| C9 | C8 | C7 | C22 | 118.9° | 126.8° |
| C9 | C8 | C7 | H8 | 119.0° | 119.3° |
| C9 | C8 | C7 | H71 | 54.8° | 71.3° |
| C9 | C8 | C7 | H72 | 175.5° | 174.9° |
| C9 | C8 | C22 | H8 | 119.0° | 116.2° |
| C9 | C8 | C22 | H221 | 56.7° | 51.0° |
| C9 | C8 | C22 | H222 | 63.3° | 69.0° |
| C9 | C8 | C22 | H223 | 176.7° | 171.0° |
| C8 | C9 | O3 | HO3 | 127.3° | 73.0° |
| O3 | C9 | C10 | H9 | 122.5° | 114.8° |
| O3 | C9 | C10 | C11 | 98.8° | 79.6° |
| O3 | C9 | C10 | H101 | 21.2° | 158.5° |
| O3 | C9 | C10 | H102 | 148.3° | 39.8° |
| O3 | C9 | C8 | C7 | 170.9° | 168.4° |
| O3 | C9 | C8 | C22 | 72.1° | 66.0° |
| O3 | C9 | C8 | H8 | 50.1° | 49.0° |
| C9 | C10 | C11 | H101 | 120.0° | 122.3° |
| C9 | C10 | C11 | H102 | 112.9° | 121.2° |
| C9 | C10 | H101 | H102 | 114.3° | 120.7° |
| C9 | C10 | C11 | C12 | 178.9° | 115.6° |
| C9 | C10 | C11 | H11 | 1.1° | 61.7° |
| C10 | C9 | C8 | C7 | 78.4° | 71.4° |
| C10 | C9 | C8 | C22 | 38.7° | 54.2° |
| C10 | C9 | C8 | H8 | 160.8° | 169.2° |
| C10 | C9 | O3 | HO3 | 11.8° | 162.1° |
| H9 | C9 | C10 | C11 | 23.7° | 35.2° |
| H9 | C9 | C10 | H101 | 143.7° | 86.7° |
| H9 | C9 | C10 | H102 | 89.2° | 154.6° |
| H9 | C9 | C8 | C7 | 47.3° | 53.0° |
| H9 | C9 | C8 | C22 | 164.4° | 178.6° |
| H9 | C9 | C8 | H8 | 73.5° | 66.4° |
| H9 | C9 | O3 | HO3 | 113.2° | 44.7° |
| C11 | C10 | H101 | H102 | 114.3° | 116.9° |
| C10 | C11 | C12 | H11 | 180.0° | 177.3° |
| C10 | C11 | C12 | C13 | 178.3° | 176.3° |
| C10 | C11 | C12 | H12 | 1.7° | 3.5° |
| H101 | C10 | C11 | C12 | 58.9° | 6.6° |
| H101 | C10 | C11 | H11 | 121.1° | 176.0° |
| H102 | C10 | C11 | C12 | 68.2° | 123.2° |
| H102 | C10 | C11 | H11 | 111.8° | 59.4° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 87.6° | 166.3° |
| C11 | C12 | C13 | H13 | 92.4° | 14.8° |
| H11 | C11 | C12 | C13 | 1.7° | 0.9° |
| H11 | C11 | C12 | H12 | 178.3° | 179.2° |
| C12 | C13 | C14 | H13 | 180.0° | 178.9° |
| C12 | C13 | C14 | C15 | 9.9° | 4.5° |
| C12 | C13 | C14 | H14 | 170.1° | 177.3° |
| H12 | C12 | C13 | C14 | 92.3° | 13.5° |
| H12 | C12 | C13 | H13 | 87.7° | 165.4° |
| C13 | C14 | C15 | H14 | 180.0° | 178.3° |
| C13 | C14 | C15 | O2 | 15.7° | 34.6° |
| C13 | C14 | C15 | C16 | 101.0° | 87.8° |
| C13 | C14 | C15 | H15 | 137.3° | 152.0° |
| H13 | C13 | C14 | C15 | 170.1° | 176.7° |
| H13 | C13 | C14 | H14 | 9.9° | 1.6° |
| C14 | C15 | O2 | C16 | 117.9° | 122.3° |
| C14 | C15 | O2 | H15 | 120.5° | 117.2° |
| C14 | C15 | C16 | H15 | 120.5° | 118.9° |
| C14 | C15 | C16 | H161 | 87.5° | 170.3° |
| C14 | C15 | C16 | H162 | 152.5° | 69.7° |
| C14 | C15 | C16 | H163 | 32.5° | 50.3° |
| C14 | C15 | O2 | C1 | 74.5° | 163.0° |
| H14 | C14 | C15 | O2 | 164.3° | 143.7° |
| H14 | C14 | C15 | C16 | 79.0° | 93.9° |
| H14 | C14 | C15 | H15 | 42.7° | 26.3° |
| O2 | C15 | C16 | H15 | 121.6° | 119.3° |
| O2 | C15 | C16 | H161 | 30.5° | 48.5° |
| O2 | C15 | C16 | H162 | 89.6° | 168.5° |
| O2 | C15 | C16 | H163 | 150.5° | 71.5° |
| C15 | O2 | C1 | O1 | 45.9° | 0.9° |
| C15 | O2 | C1 | C2 | 137.3° | 178.9° |
| C15 | C16 | H161 | H162 | 120.0° | 121.3° |
| C15 | C16 | H161 | H163 | 120.0° | 121.3° |
| C15 | C16 | H162 | H163 | 120.0° | 121.3° |
| C16 | C15 | O2 | C1 | 167.6° | 74.7° |
| H15 | C15 | C16 | H161 | 152.0° | 70.9° |
| H15 | C15 | C16 | H162 | 32.0° | 49.1° |
| H15 | C15 | C16 | H163 | 88.0° | 169.2° |
| H15 | C15 | O2 | C1 | 46.0° | 45.9° |
| H161 | C16 | H162 | H163 | 120.0° | 117.4° |
| O1 | C1 | C2 | O2 | 176.9° | 179.8° |
| O1 | C1 | C2 | C3 | 39.5° | 101.2° |
| O1 | C1 | C2 | H21A | 159.5° | 135.2° |
| O1 | C1 | C2 | H22 | 80.0° | 20.5° |
| C1 | C2 | C3 | H21A | 120.0° | 120.6° |
| C1 | C2 | C3 | H22 | 119.5° | 119.9° |
| C1 | C2 | H21A | H22 | 119.5° | 115.1° |
| C1 | C2 | C3 | C4 | 117.5° | 173.3° |
| C1 | C2 | C3 | O6 | 118.4° | 64.0° |
| C1 | C2 | C3 | H3 | 1.8° | 51.8° |
| O2 | C1 | C2 | C3 | 137.4° | 78.6° |
| O2 | C1 | C2 | H21A | 17.4° | 45.0° |
| O2 | C1 | C2 | H22 | 103.1° | 159.6° |
| C3 | C2 | H21A | H22 | 119.5° | 121.8° |
| C2 | C3 | C4 | O6 | 121.0° | 123.0° |
| C2 | C3 | C4 | H3 | 119.2° | 120.8° |
| C2 | C3 | O6 | H3 | 119.6° | 116.5° |
| C2 | C3 | O6 | C17 | 78.7° | 176.4° |
| C2 | C3 | C4 | C5 | 173.2° | 46.7° |
| C2 | C3 | C4 | O5 | 63.1° | 73.3° |
| C2 | C3 | C4 | H4 | 57.0° | 171.3° |
| H21A | C2 | C3 | C4 | 2.5° | 66.1° |
| H21A | C2 | C3 | O6 | 121.6° | 56.6° |
| H21A | C2 | C3 | H3 | 118.3° | 172.3° |
| H22 | C2 | C3 | C4 | 123.1° | 53.4° |
| H22 | C2 | C3 | O6 | 1.0° | 176.1° |
| H22 | C2 | C3 | H3 | 121.2° | 68.1° |
| C4 | C3 | O6 | H3 | 115.8° | 117.7° |
| C4 | C3 | O6 | C17 | 156.7° | 57.8° |
| C3 | C4 | C5 | O5 | 123.2° | 120.7° |
| C3 | C4 | C5 | H4 | 116.7° | 125.3° |
| C3 | C4 | O5 | H4 | 117.2° | 117.8° |
| C3 | C4 | O5 | C19 | 114.9° | 60.0° |
| C3 | C4 | C5 | C6 | 57.3° | 54.2° |
| C3 | C4 | C5 | O1A | 179.3° | 176.7° |
| C3 | C4 | C5 | H5 | 60.2° | 69.7° |
| C3 | O6 | C17 | C18 | 43.4° | 120.0° |
| C3 | O6 | C17 | O7 | 136.7° | 60.0° |
| O6 | C3 | C4 | C5 | 65.8° | 76.3° |
| O6 | C3 | C4 | O5 | 57.9° | 163.7° |
| O6 | C3 | C4 | H4 | 178.0° | 48.3° |
| H3 | C3 | O6 | C17 | 40.9° | 60.0° |
| H3 | C3 | C4 | C5 | 54.0° | 167.5° |
| H3 | C3 | C4 | O5 | 177.7° | 47.5° |
| H3 | C3 | C4 | H4 | 62.2° | 67.9° |
| C18 | C17 | O6 | O7 | 179.9° | 180.0° |
| C17 | C18 | H181 | H182 | 120.0° | 121.4° |
| C17 | C18 | H181 | H183 | 120.0° | 119.5° |
| C17 | C18 | H182 | H183 | 120.0° | 119.5° |
| O6 | C17 | C18 | H181 | 101.0° | 61.3° |
| O6 | C17 | C18 | H182 | 138.9° | 60.6° |
| O6 | C17 | C18 | H183 | 18.9° | 179.6° |
| O7 | C17 | C18 | H181 | 79.0° | 118.7° |
| O7 | C17 | C18 | H182 | 41.0° | 119.4° |
| O7 | C17 | C18 | H183 | 161.0° | 0.4° |
| H181 | C18 | H182 | H183 | 120.0° | 119.1° |
| C5 | C4 | O5 | H4 | 116.6° | 115.6° |
| C5 | C4 | O5 | C19 | 118.9° | 173.4° |
| C4 | C5 | C6 | O1A | 123.4° | 122.1° |
| C4 | C5 | C6 | H5 | 115.9° | 123.8° |
| C4 | C5 | O1A | H5 | 116.2° | 115.6° |
| C4 | C5 | C6 | C20 | 169.2° | 175.1° |
| C4 | C5 | C6 | C7 | 68.8° | 61.1° |
| C4 | C5 | C6 | H6 | 49.6° | 59.3° |
| C4 | C5 | O1A | C1A | 105.8° | 85.6° |
| C4 | O5 | C19 | H191 | 82.8° | 134.8° |
| C4 | O5 | C19 | H192 | 157.1° | 104.4° |
| C4 | O5 | C19 | H193 | 37.1° | 15.2° |
| O5 | C4 | C5 | C6 | 179.5° | 174.9° |
| O5 | C4 | C5 | O1A | 57.5° | 62.7° |
| O5 | C4 | C5 | H5 | 63.0° | 51.0° |
| H4 | C4 | O5 | C19 | 2.3° | 57.8° |
| H4 | C4 | C5 | C6 | 59.4° | 71.1° |
| H4 | C4 | C5 | O1A | 62.6° | 51.4° |
| H4 | C4 | C5 | H5 | 176.9° | 165.1° |
| O5 | C19 | H191 | H192 | 120.0° | 120.5° |
| O5 | C19 | H191 | H193 | 120.0° | 119.3° |
| O5 | C19 | H192 | H193 | 120.0° | 119.4° |
| H191 | C19 | H192 | H193 | 120.0° | 120.2° |
| C6 | C5 | O1A | H5 | 118.0° | 116.2° |
| C5 | C6 | C20 | C7 | 122.9° | 125.1° |
| C5 | C6 | C20 | H6 | 118.6° | 116.5° |
| C5 | C6 | C7 | H6 | 118.5° | 120.2° |
| C5 | C6 | C20 | C21 | 88.2° | 56.5° |
| C5 | C6 | C20 | H201 | 151.7° | 63.8° |
| C5 | C6 | C20 | H202 | 29.7° | 176.9° |
| C5 | C6 | C7 | C8 | 179.9° | 175.0° |
| C5 | C6 | C7 | H71 | 59.8° | 61.2° |
| C5 | C6 | C7 | H72 | 60.8° | 53.5° |
| C6 | C5 | O1A | C1A | 128.4° | 146.2° |
| O1A | C5 | C6 | C20 | 67.4° | 62.7° |
| O1A | C5 | C6 | C7 | 54.6° | 61.0° |
| O1A | C5 | C6 | H6 | 173.0° | 178.5° |
| C5 | O1A | C1A | O5A | 59.8° | 115.8° |
| C5 | O1A | C1A | C2A | 177.9° | 118.2° |
| C5 | O1A | C1A | H1A | 61.6° | 0.0° |
| H5 | C5 | C6 | C20 | 53.3° | 51.4° |
| H5 | C5 | C6 | C7 | 175.3° | 175.1° |
| H5 | C5 | C6 | H6 | 66.3° | 64.5° |
| H5 | C5 | O1A | C1A | 10.4° | 30.0° |
| C20 | C6 | C7 | H6 | 119.6° | 117.4° |
| C6 | C20 | C21 | H201 | 120.0° | 120.4° |
| C6 | C20 | C21 | H202 | 118.0° | 120.5° |
| C6 | C20 | H201 | H202 | 118.1° | 119.0° |
| C6 | C20 | C21 | O4 | 38.9° | 120.4° |
| C6 | C20 | C21 | H21 | 141.1° | 59.6° |
| C20 | C6 | C7 | C8 | 58.2° | 52.6° |
| C20 | C6 | C7 | H71 | 178.2° | 176.4° |
| C20 | C6 | C7 | H72 | 61.1° | 68.9° |
| C7 | C6 | C20 | C21 | 148.8° | 178.4° |
| C7 | C6 | C20 | H201 | 28.8° | 61.3° |
| C7 | C6 | C20 | H202 | 93.2° | 58.0° |
| C6 | C7 | C8 | H71 | 120.0° | 124.1° |
| C6 | C7 | C8 | H72 | 119.3° | 122.1° |
| C6 | C7 | H71 | H72 | 119.3° | 116.7° |
| C6 | C7 | C8 | C22 | 175.9° | 179.6° |
| C6 | C7 | C8 | H8 | 53.9° | 66.6° |
| H6 | C6 | C20 | C21 | 30.4° | 60.0° |
| H6 | C6 | C20 | H201 | 89.7° | 179.7° |
| H6 | C6 | C20 | H202 | 148.3° | 60.3° |
| H6 | C6 | C7 | C8 | 61.4° | 64.9° |
| H6 | C6 | C7 | H71 | 58.7° | 59.0° |
| H6 | C6 | C7 | H72 | 179.3° | 173.6° |
| C21 | C20 | H201 | H202 | 118.1° | 118.8° |
| C20 | C21 | O4 | H21 | 180.0° | 179.9° |
| H201 | C20 | C21 | O4 | 81.1° | 0.1° |
| H201 | C20 | C21 | H21 | 98.9° | 180.0° |
| H202 | C20 | C21 | O4 | 156.9° | 119.1° |
| H202 | C20 | C21 | H21 | 23.1° | 60.8° |
| C8 | C7 | H71 | H72 | 119.3° | 115.1° |
| C7 | C8 | C22 | H8 | 120.7° | 115.3° |
| C7 | C8 | C22 | H221 | 63.6° | 77.5° |
| C7 | C8 | C22 | H222 | 176.4° | 162.5° |
| C7 | C8 | C22 | H223 | 56.3° | 42.5° |
| H71 | C7 | C8 | C22 | 64.1° | 55.5° |
| H71 | C7 | C8 | H8 | 173.9° | 169.4° |
| H72 | C7 | C8 | C22 | 56.6° | 58.2° |
| H72 | C7 | C8 | H8 | 65.5° | 55.6° |
| C8 | C22 | H221 | H222 | 120.0° | 121.3° |
| C8 | C22 | H221 | H223 | 120.0° | 121.4° |
| C8 | C22 | H222 | H223 | 120.0° | 121.3° |
| H8 | C8 | C22 | H221 | 175.7° | 167.2° |
| H8 | C8 | C22 | H222 | 55.7° | 47.2° |
| H8 | C8 | C22 | H223 | 64.3° | 72.8° |
| H221 | C22 | H222 | H223 | 120.0° | 117.4° |
| O5A | C1A | C2A | O1A | 118.0° | 126.7° |
| O5A | C1A | C2A | H1A | 121.5° | 116.7° |
| O5A | C1A | O1A | H1A | 121.5° | 115.8° |
| O5A | C1A | C2A | C3A | 53.6° | 50.7° |
| O5A | C1A | C2A | O2A | 178.4° | 69.4° |
| O5A | C1A | C2A | H2A | 63.4° | 174.1° |
| C1A | O5A | C5A | C4A | 75.1° | 51.9° |
| C1A | O5A | C5A | C6A | 159.5° | 77.8° |
| C1A | O5A | C5A | H5A | 41.8° | 168.4° |
| C2A | C1A | O1A | H1A | 120.5° | 118.1° |
| C1A | C2A | C3A | O2A | 119.7° | 120.5° |
| C1A | C2A | C3A | H2A | 122.4° | 123.5° |
| C1A | C2A | O2A | H2A | 122.5° | 118.7° |
| C1A | C2A | C3A | N3A | 168.3° | 76.5° |
| C1A | C2A | C3A | C4A | 49.2° | 46.5° |
| C1A | C2A | C3A | H3A | 73.2° | 165.6° |
| C2A | C1A | O5A | C5A | 70.5° | 54.4° |
| C1A | C2A | O2A | HO2A | 174.2° | 55.1° |
| O1A | C1A | C2A | C3A | 171.7° | 75.9° |
| O1A | C1A | C2A | O2A | 63.5° | 163.9° |
| O1A | C1A | C2A | H2A | 54.7° | 47.4° |
| O1A | C1A | O5A | C5A | 170.4° | 70.7° |
| H1A | C1A | C2A | C3A | 67.8° | 167.5° |
| H1A | C1A | C2A | O2A | 57.0° | 47.3° |
| H1A | C1A | C2A | H2A | 175.2° | 69.1° |
| H1A | C1A | O5A | C5A | 49.9° | 173.0° |
| C3A | C2A | O2A | H2A | 116.8° | 118.1° |
| C2A | C3A | N3A | C4A | 123.1° | 123.2° |
| C2A | C3A | N3A | H3A | 114.1° | 118.3° |
| C2A | C3A | C4A | H3A | 114.4° | 119.1° |
| C2A | C3A | C4A | O1B | 177.0° | 76.0° |
| C2A | C3A | C4A | C5A | 52.1° | 44.5° |
| C2A | C3A | C4A | H4A | 64.8° | 169.2° |
| C2A | C3A | N3A | C7A | 58.1° | 56.8° |
| C3A | C2A | O2A | HO2A | 53.5° | 68.1° |
| C2A | C3A | N3A | C8A | 61.4° | 179.3° |
| O2A | C2A | C3A | N3A | 72.0° | 163.0° |
| O2A | C2A | C3A | C4A | 168.9° | 74.0° |
| O2A | C2A | C3A | H3A | 46.5° | 45.1° |
| H2A | C2A | C3A | N3A | 45.9° | 47.0° |
| H2A | C2A | C3A | C4A | 73.3° | 170.0° |
| H2A | C2A | C3A | H3A | 164.4° | 70.9° |
| H2A | C2A | O2A | HO2A | 63.3° | 173.8° |
| N3A | C3A | C4A | H3A | 119.1° | 118.0° |
| N3A | C3A | C4A | O1B | 56.6° | 161.1° |
| N3A | C3A | C4A | C5A | 178.5° | 78.4° |
| N3A | C3A | C4A | H4A | 61.6° | 46.3° |
| C3A | N3A | C7A | C8A | 125.9° | 122.3° |
| C3A | N3A | C7A | H7A1 | 177.7° | 48.8° |
| C3A | N3A | C7A | H7A2 | 62.3° | 71.1° |
| C3A | N3A | C7A | H7A3 | 57.7° | 168.8° |
| C3A | N3A | C8A | H8A1 | 69.5° | 23.5° |
| C3A | N3A | C8A | H8A2 | 50.5° | 96.5° |
| C3A | N3A | C8A | H8A3 | 170.5° | 143.5° |
| C3A | C4A | O1B | C5A | 117.3° | 124.4° |
| C3A | C4A | O1B | H4A | 125.6° | 118.2° |
| C3A | C4A | C5A | H4A | 125.6° | 124.9° |
| C3A | C4A | C5A | C6A | 177.4° | 82.0° |
| C3A | C4A | C5A | O5A | 64.5° | 46.3° |
| C3A | C4A | C5A | H5A | 59.8° | 160.9° |
| C4A | C3A | N3A | C7A | 178.8° | 180.0° |
| C4A | C3A | N3A | C8A | 61.8° | 57.5° |
| C3A | C4A | O1B | C1B | 150.2° | 148.2° |
| H3A | C3A | C4A | O1B | 62.6° | 43.1° |
| H3A | C3A | C4A | C5A | 62.3° | 163.6° |
| H3A | C3A | C4A | H4A | 179.2° | 71.7° |
| H3A | C3A | N3A | C7A | 56.0° | 61.6° |
| H3A | C3A | N3A | C8A | 175.5° | 60.9° |
| O1B | C4A | C5A | H4A | 118.3° | 114.4° |
| O1B | C4A | C5A | C6A | 61.3° | 157.3° |
| O1B | C4A | C5A | O5A | 179.5° | 74.4° |
| O1B | C4A | C5A | H5A | 56.2° | 40.2° |
| C4A | O1B | C1B | O5B | 119.7° | 87.2° |
| C4A | O1B | C1B | C2B | 117.4° | 148.3° |
| C4A | O1B | C1B | H1B | 2.8° | 30.0° |
| C4A | C5A | C6A | O5A | 119.0° | 128.6° |
| C4A | C5A | C6A | H5A | 116.7° | 118.2° |
| C4A | C5A | O5A | H5A | 116.9° | 116.5° |
| C4A | C5A | C6A | H6A1 | 173.8° | 10.9° |
| C4A | C5A | C6A | H6A2 | 53.8° | 109.0° |
| C4A | C5A | C6A | H6A3 | 66.2° | 131.0° |
| C5A | C4A | O1B | C1B | 92.5° | 87.4° |
| H4A | C4A | C5A | C6A | 57.0° | 42.9° |
| H4A | C4A | C5A | O5A | 61.2° | 171.2° |
| H4A | C4A | C5A | H5A | 174.5° | 74.2° |
| H4A | C4A | O1B | C1B | 24.5° | 30.0° |
| C6A | C5A | O5A | H5A | 117.7° | 113.8° |
| C5A | C6A | H6A1 | H6A2 | 120.0° | 121.3° |
| C5A | C6A | H6A1 | H6A3 | 120.0° | 121.4° |
| C5A | C6A | H6A2 | H6A3 | 120.0° | 121.3° |
| O5A | C5A | C6A | H6A1 | 67.2° | 139.6° |
| O5A | C5A | C6A | H6A2 | 172.8° | 19.6° |
| O5A | C5A | C6A | H6A3 | 52.9° | 100.4° |
| H5A | C5A | C6A | H6A1 | 57.1° | 107.3° |
| H5A | C5A | C6A | H6A2 | 62.9° | 132.8° |
| H5A | C5A | C6A | H6A3 | 177.2° | 12.8° |
| H6A1 | C6A | H6A2 | H6A3 | 120.0° | 117.3° |
| N3A | C7A | H7A1 | H7A2 | 120.0° | 120.8° |
| N3A | C7A | H7A1 | H7A3 | 120.0° | 120.9° |
| N3A | C7A | H7A2 | H7A3 | 120.0° | 121.0° |
| C7A | N3A | C8A | H8A1 | 54.9° | 98.9° |
| C7A | N3A | C8A | H8A2 | 174.9° | 141.2° |
| C7A | N3A | C8A | H8A3 | 65.1° | 21.2° |
| H7A1 | C7A | H7A2 | H7A3 | 120.0° | 118.3° |
| H7A1 | C7A | N3A | C8A | 51.8° | 171.1° |
| H7A2 | C7A | N3A | C8A | 171.8° | 51.2° |
| H7A3 | C7A | N3A | C8A | 68.2° | 68.8° |
| N3A | C8A | H8A1 | H8A2 | 120.0° | 120.8° |
| N3A | C8A | H8A1 | H8A3 | 120.0° | 120.9° |
| N3A | C8A | H8A2 | H8A3 | 120.0° | 120.9° |
| O5B | C1B | C2B | O1B | 126.4° | 125.4° |
| O5B | C1B | C2B | H1B | 117.5° | 117.8° |
| O5B | C1B | O1B | H1B | 116.9° | 117.2° |
| O5B | C1B | C2B | C3B | 50.4° | 53.1° |
| O5B | C1B | C2B | H2B1 | 170.4° | 67.0° |
| O5B | C1B | C2B | H2B2 | 67.5° | 175.1° |
| C1B | O5B | C5B | C4B | 53.9° | 60.3° |
| C1B | O5B | C5B | C6B | 177.6° | 178.0° |
| C1B | O5B | C5B | H5B | 63.3° | 62.1° |
| C2B | C1B | O1B | H1B | 120.2° | 118.2° |
| C1B | C2B | C3B | H2B1 | 120.0° | 119.9° |
| C1B | C2B | C3B | H2B2 | 117.9° | 121.8° |
| C1B | C2B | H2B1 | H2B2 | 118.0° | 118.4° |
| C1B | C2B | C3B | C4B | 54.3° | 49.3° |
| C1B | C2B | C3B | C7B | 172.9° | 172.7° |
| C1B | C2B | C3B | O3B | 65.2° | 71.1° |
| C2B | C1B | O5B | C5B | 51.0° | 58.9° |
| O1B | C1B | C2B | C3B | 76.0° | 72.3° |
| O1B | C1B | C2B | H2B1 | 44.0° | 167.6° |
| O1B | C1B | C2B | H2B2 | 166.0° | 49.7° |
| O1B | C1B | O5B | C5B | 72.9° | 65.2° |
| H1B | C1B | C2B | C3B | 167.9° | 170.8° |
| H1B | C1B | C2B | H2B1 | 72.1° | 50.8° |
| H1B | C1B | C2B | H2B2 | 50.0° | 67.1° |
| H1B | C1B | O5B | C5B | 171.3° | 177.8° |
| C3B | C2B | H2B1 | H2B2 | 118.1° | 119.1° |
| C2B | C3B | C4B | C7B | 120.6° | 122.4° |
| C2B | C3B | C4B | O3B | 120.1° | 120.0° |
| C2B | C3B | C7B | O3B | 122.6° | 118.2° |
| C2B | C3B | C4B | O4B | 177.0° | 172.3° |
| C2B | C3B | C4B | C5B | 56.9° | 50.4° |
| C2B | C3B | C4B | H4B | 63.8° | 69.6° |
| C2B | C3B | C7B | H7B1 | 83.7° | 53.8° |
| C2B | C3B | C7B | H7B2 | 36.3° | 173.7° |
| C2B | C3B | C7B | H7B3 | 156.3° | 66.3° |
| C2B | C3B | O3B | HO3B | 122.3° | 6.3° |
| H2B1 | C2B | C3B | C4B | 174.3° | 70.7° |
| H2B1 | C2B | C3B | C7B | 67.1° | 52.7° |
| H2B1 | C2B | C3B | O3B | 54.8° | 168.9° |
| H2B2 | C2B | C3B | C4B | 63.7° | 171.0° |
| H2B2 | C2B | C3B | C7B | 54.9° | 65.6° |
| H2B2 | C2B | C3B | O3B | 176.9° | 50.6° |
| C4B | C3B | C7B | O3B | 119.3° | 119.9° |
| C3B | C4B | O4B | C5B | 124.5° | 123.4° |
| C3B | C4B | O4B | H4B | 114.3° | 118.6° |
| C3B | C4B | C5B | H4B | 114.4° | 119.9° |
| C3B | C4B | C5B | C6B | 171.6° | 174.7° |
| C3B | C4B | C5B | O5B | 54.7° | 55.6° |
| C3B | C4B | C5B | H5B | 69.2° | 66.0° |
| C4B | C3B | C7B | H7B1 | 34.4° | 175.7° |
| C4B | C3B | C7B | H7B2 | 154.4° | 64.4° |
| C4B | C3B | C7B | H7B3 | 85.6° | 55.7° |
| C4B | C3B | O3B | HO3B | 4.0° | 113.8° |
| C3B | C4B | O4B | C1C | 92.3° | 61.3° |
| C7B | C3B | C4B | O4B | 62.4° | 65.3° |
| C7B | C3B | C4B | C5B | 177.5° | 172.8° |
| C7B | C3B | C4B | H4B | 56.8° | 52.8° |
| C3B | C7B | H7B1 | H7B2 | 120.0° | 121.3° |
| C3B | C7B | H7B1 | H7B3 | 120.0° | 121.4° |
| C3B | C7B | H7B2 | H7B3 | 120.0° | 121.4° |
| C7B | C3B | O3B | HO3B | 114.5° | 125.1° |
| O3B | C3B | C4B | O4B | 56.9° | 52.3° |
| O3B | C3B | C4B | C5B | 63.2° | 69.6° |
| O3B | C3B | C4B | H4B | 176.1° | 170.4° |
| O3B | C3B | C7B | H7B1 | 153.7° | 64.4° |
| O3B | C3B | C7B | H7B2 | 86.3° | 55.5° |
| O3B | C3B | C7B | H7B3 | 33.7° | 175.5° |
| O4B | C4B | C5B | H4B | 119.9° | 117.2° |
| O4B | C4B | C5B | C6B | 62.7° | 62.4° |
| O4B | C4B | C5B | O5B | 179.6° | 178.5° |
| O4B | C4B | C5B | H5B | 56.5° | 56.9° |
| C4B | O4B | C1C | O1C | 11.2° | 30.0° |
| C4B | O4B | C1C | C2C | 167.9° | 148.4° |
| C4B | C5B | C6B | O5B | 118.8° | 121.0° |
| C4B | C5B | C6B | H5B | 117.3° | 121.5° |
| C4B | C5B | O5B | H5B | 117.2° | 122.3° |
| C4B | C5B | C6B | H6B1 | 58.8° | 81.9° |
| C4B | C5B | C6B | H6B2 | 61.2° | 158.2° |
| C4B | C5B | C6B | H6B3 | 178.8° | 38.2° |
| C5B | C4B | O4B | C1C | 143.1° | 62.0° |
| H4B | C4B | C5B | C6B | 57.2° | 54.8° |
| H4B | C4B | C5B | O5B | 59.7° | 64.3° |
| H4B | C4B | C5B | H5B | 176.4° | 174.1° |
| H4B | C4B | O4B | C1C | 21.9° | 180.0° |
| C6B | C5B | O5B | H5B | 119.2° | 115.9° |
| C5B | C6B | H6B1 | H6B2 | 120.0° | 121.3° |
| C5B | C6B | H6B1 | H6B3 | 120.0° | 121.4° |
| C5B | C6B | H6B2 | H6B3 | 120.0° | 121.4° |
| O5B | C5B | C6B | H6B1 | 60.0° | 157.1° |
| O5B | C5B | C6B | H6B2 | 180.0° | 37.1° |
| O5B | C5B | C6B | H6B3 | 60.0° | 82.9° |
| H5B | C5B | C6B | H6B1 | 176.0° | 39.6° |
| H5B | C5B | C6B | H6B2 | 56.0° | 80.3° |
| H5B | C5B | C6B | H6B3 | 64.0° | 159.6° |
| H6B1 | C6B | H6B2 | H6B3 | 120.0° | 117.3° |
| H7B1 | C7B | H7B2 | H7B3 | 120.0° | 117.3° |
| O4B | C1C | O1C | C2C | 179.0° | 178.2° |
| O4B | C1C | C2C | C3C | 176.9° | 93.7° |
| O4B | C1C | C2C | H2C1 | 56.9° | 28.4° |
| O4B | C1C | C2C | H2C2 | 63.0° | 145.1° |
| O1C | C1C | C2C | C3C | 2.3° | 87.9° |
| O1C | C1C | C2C | H2C1 | 122.3° | 150.0° |
| O1C | C1C | C2C | H2C2 | 117.9° | 33.3° |
| C1C | C2C | C3C | H2C1 | 120.0° | 121.7° |
| C1C | C2C | C3C | H2C2 | 120.1° | 119.3° |
| C1C | C2C | H2C1 | H2C2 | 120.2° | 115.6° |
| C1C | C2C | C3C | C4C | 107.4° | 58.3° |
| C1C | C2C | C3C | C5C | 133.3° | 63.7° |
| C1C | C2C | C3C | H3C | 14.6° | 177.9° |
| C3C | C2C | H2C1 | H2C2 | 120.2° | 120.1° |
| C2C | C3C | C4C | C5C | 122.7° | 122.1° |
| C2C | C3C | C4C | H3C | 118.6° | 120.4° |
| C2C | C3C | C5C | H3C | 118.5° | 119.3° |
| C2C | C3C | C4C | H4C1 | 114.1° | 60.1° |
| C2C | C3C | C4C | H4C2 | 125.8° | 180.0° |
| C2C | C3C | C4C | H4C3 | 5.8° | 60.4° |
| C2C | C3C | C5C | H5C1 | 159.4° | 60.7° |
| C2C | C3C | C5C | H5C2 | 80.6° | 59.6° |
| C2C | C3C | C5C | H5C3 | 39.4° | 179.1° |
| H2C1 | C2C | C3C | C4C | 12.6° | 180.0° |
| H2C1 | C2C | C3C | C5C | 106.7° | 58.0° |
| H2C1 | C2C | C3C | H3C | 134.6° | 60.4° |
| H2C2 | C2C | C3C | C4C | 132.5° | 61.0° |
| H2C2 | C2C | C3C | C5C | 13.2° | 177.1° |
| H2C2 | C2C | C3C | H3C | 105.5° | 58.7° |
| C4C | C3C | C5C | H3C | 122.0° | 117.7° |
| C3C | C4C | H4C1 | H4C2 | 120.0° | 121.6° |
| C3C | C4C | H4C1 | H4C3 | 120.0° | 122.5° |
| C3C | C4C | H4C2 | H4C3 | 120.0° | 121.9° |
| C4C | C3C | C5C | H5C1 | 40.0° | 62.3° |
| C4C | C3C | C5C | H5C2 | 159.9° | 177.4° |
| C4C | C3C | C5C | H5C3 | 80.1° | 58.0° |
| C5C | C3C | C4C | H4C1 | 123.1° | 62.0° |
| C5C | C3C | C4C | H4C2 | 3.1° | 57.9° |
| C5C | C3C | C4C | H4C3 | 116.9° | 177.4° |
| C3C | C5C | H5C1 | H5C2 | 120.0° | 121.9° |
| C3C | C5C | H5C1 | H5C3 | 120.0° | 121.9° |
| C3C | C5C | H5C2 | H5C3 | 120.0° | 121.3° |
| H3C | C3C | C4C | H4C1 | 4.4° | 179.5° |
| H3C | C3C | C4C | H4C2 | 115.6° | 59.6° |
| H3C | C3C | C4C | H4C3 | 124.4° | 59.9° |
| H3C | C3C | C5C | H5C1 | 82.0° | 180.0° |
| H3C | C3C | C5C | H5C2 | 37.9° | 59.7° |
| H3C | C3C | C5C | H5C3 | 157.9° | 59.7° |
| H4C1 | C4C | H4C2 | H4C3 | 120.0° | 116.2° |
| H5C1 | C5C | H5C2 | H5C3 | 120.0° | 116.4° |
| H8A1 | C8A | H8A2 | H8A3 | 120.0° | 118.3° |
