TYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | C6 | sing | 1.53Å | 1.64Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | O20 | doub | 1.21Å | 1.36Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | O15 | sing | 1.34Å | 1.37Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.41Å | |
| C3 | O3 | sing | 1.43Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C18 | sing | 1.53Å | 1.57Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.61Å | |
| C5 | O1A | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.66Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.65Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.62Å | |
| C8 | C21 | sing | 1.53Å | 1.50Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.41Å | 1.53Å | |
| C9 | O9 | doub | 1.21Å | 1.37Å | |
| C10 | C11 | doub | 1.36Å | 1.29Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.46Å | 1.49Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.34Å | 1.35Å | |
| C12 | C22 | sing | 1.51Å | 1.68Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.53Å | 1.63Å | |
| C14 | C23 | sing | 1.53Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.63Å | |
| C15 | O15 | sing | 1.45Å | 1.49Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.44Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | O1C | sing | 1.43Å | 1.45Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O3 | H03 | sing | 0.97Å | 0.95Å | |
| C1A | C2A | sing | 1.53Å | 1.57Å | |
| C1A | O1A | sing | 1.43Å | 1.43Å | |
| C1A | O5A | sing | 1.43Å | 1.44Å | |
| C1A | HC1A | sing | 1.09Å | 1.10Å | |
| C2A | C3A | sing | 1.53Å | 1.57Å | |
| C2A | O2A | sing | 1.43Å | 1.44Å | |
| C2A | HC2A | sing | 1.09Å | 1.10Å | |
| C3A | C4A | sing | 1.53Å | 1.53Å | |
| C3A | N3A | sing | 1.47Å | 1.55Å | |
| C3A | HC3A | sing | 1.09Å | 1.10Å | |
| C4A | C5A | sing | 1.53Å | 1.62Å | |
| C4A | O4A | sing | 1.43Å | 1.47Å | |
| C4A | HC4A | sing | 1.09Å | 1.10Å | |
| C5A | C6A | sing | 1.53Å | 1.44Å | |
| C5A | O5A | sing | 1.43Å | 1.37Å | |
| C5A | HC5A | sing | 1.09Å | 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 | 1.47Å | 1.46Å | |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| C7A | H7A3 | sing | 1.09Å | 1.10Å | |
| C8A | N3A | sing | 1.47Å | 1.45Å | |
| C8A | H8A1 | sing | 1.09Å | 1.10Å | |
| C8A | H8A2 | sing | 1.09Å | 1.10Å | |
| C8A | H8A3 | sing | 1.09Å | 1.10Å | |
| O2A | H02A | sing | 0.97Å | 0.95Å | |
| O4A | C1B | sing | 1.43Å | 1.43Å | |
| C1B | C2B | sing | 1.53Å | 1.58Å | |
| C1B | O5B | sing | 1.43Å | 1.49Å | |
| C1B | HC1B | sing | 1.09Å | 1.10Å | |
| C2B | C3B | sing | 1.53Å | 1.54Å | |
| C2B | H2B1 | sing | 1.09Å | 1.10Å | |
| C2B | H2B2 | sing | 1.09Å | 1.10Å | |
| C3B | C4B | sing | 1.53Å | 1.58Å | |
| C3B | C7B | sing | 1.53Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C4B | C5B | sing | 1.53Å | 1.56Å | |
| C4B | O4B | sing | 1.43Å | 1.41Å | |
| C4B | HC4B | sing | 1.09Å | 1.10Å | |
| C5B | C6B | sing | 1.53Å | 1.54Å | |
| C5B | O5B | sing | 1.43Å | 1.45Å | |
| C5B | HC5B | sing | 1.09Å | 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 | H03B | sing | 0.97Å | 0.95Å | |
| O4B | HO4B | sing | 0.97Å | 0.95Å | |
| C1C | C2C | sing | 1.53Å | 1.60Å | |
| C1C | O1C | sing | 1.43Å | 1.61Å | |
| C1C | O5C | sing | 1.43Å | 1.45Å | |
| C1C | HC1C | sing | 1.09Å | 1.10Å | |
| C2C | C3C | sing | 1.53Å | 1.59Å | |
| C2C | O2C | sing | 1.43Å | 1.35Å | |
| C2C | HC2C | sing | 1.09Å | 1.10Å | |
| C3C | C4C | sing | 1.53Å | 1.46Å | |
| C3C | O3C | sing | 1.43Å | 1.48Å | |
| C3C | HC3C | sing | 1.09Å | 1.10Å | |
| C4C | C5C | sing | 1.53Å | 1.45Å | |
| C4C | O4C | sing | 1.43Å | 1.56Å | |
| C4C | HC4C | sing | 1.09Å | 1.10Å | |
| C5C | C6C | sing | 1.53Å | 1.55Å | |
| C5C | O5C | sing | 1.43Å | 1.46Å | |
| C5C | HC5C | sing | 1.09Å | 1.10Å | |
| C6C | H6C1 | sing | 1.09Å | 1.10Å | |
| C6C | H6C2 | sing | 1.09Å | 1.10Å | |
| C6C | H6C3 | sing | 1.09Å | 1.10Å | |
| C7C | O2C | sing | 1.43Å | 1.41Å | |
| C7C | H7C1 | sing | 1.09Å | 1.10Å | |
| C7C | H7C2 | sing | 1.09Å | 1.10Å | |
| C7C | H7C3 | sing | 1.09Å | 1.10Å | |
| C8C | O3C | sing | 1.43Å | 1.46Å | |
| C8C | H8C1 | sing | 1.09Å | 1.10Å | |
| C8C | H8C2 | sing | 1.09Å | 1.10Å | |
| C8C | H8C3 | sing | 1.09Å | 1.10Å | |
| O4C | H04C | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C6 | 110.4° | 109.4° |
| C20 | C19 | H191 | 108.9° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.5° |
| C19 | C20 | O20 | 93.1° | 120.0° |
| C19 | C20 | H20 | 133.5° | 120.0° |
| C6 | C19 | H191 | 108.9° | 109.5° |
| C6 | C19 | H192 | 109.2° | 109.5° |
| C19 | C6 | C5 | 104.9° | 109.4° |
| C19 | C6 | C7 | 105.5° | 109.5° |
| C19 | C6 | H6 | 112.1° | 109.5° |
| H191 | C19 | H192 | 110.2° | 109.5° |
| O20 | C20 | H20 | 133.5° | 120.0° |
| C2 | C1 | O1 | 120.6° | 120.1° |
| C2 | C1 | O15 | 110.6° | 120.0° |
| C1 | C2 | C3 | 117.9° | 109.5° |
| C1 | C2 | H21 | 104.8° | 109.4° |
| C1 | C2 | H22 | 106.8° | 109.5° |
| O1 | C1 | O15 | 128.8° | 120.0° |
| C1 | O15 | C15 | 118.4° | 119.9° |
| C3 | C2 | H21 | 104.8° | 109.5° |
| C3 | C2 | H22 | 106.7° | 109.5° |
| C2 | C3 | C4 | 114.2° | 109.5° |
| C2 | C3 | O3 | 103.3° | 109.5° |
| C2 | C3 | H3 | 111.4° | 109.5° |
| H21 | C2 | H22 | 116.4° | 109.5° |
| C4 | C3 | O3 | 112.1° | 109.5° |
| C4 | C3 | H3 | 102.6° | 109.5° |
| C3 | C4 | C5 | 106.7° | 109.5° |
| C3 | C4 | C18 | 106.3° | 109.5° |
| C3 | C4 | H4 | 113.4° | 109.4° |
| O3 | C3 | H3 | 113.5° | 109.4° |
| C3 | O3 | H03 | 109.5° | 106.8° |
| C5 | C4 | C18 | 109.8° | 109.5° |
| C5 | C4 | H4 | 110.1° | 109.5° |
| C4 | C5 | C6 | 115.9° | 109.5° |
| C4 | C5 | O1A | 113.9° | 109.5° |
| C4 | C5 | H5 | 101.4° | 109.4° |
| C18 | C4 | H4 | 110.4° | 109.5° |
| C4 | C18 | H181 | 109.5° | 109.5° |
| C4 | C18 | H182 | 109.5° | 109.5° |
| C4 | C18 | H183 | 109.5° | 109.5° |
| C6 | C5 | O1A | 109.6° | 109.5° |
| C6 | C5 | H5 | 106.5° | 109.5° |
| C5 | C6 | C7 | 100.4° | 109.5° |
| C5 | C6 | H6 | 116.5° | 109.5° |
| O1A | C5 | H5 | 108.9° | 109.5° |
| C5 | O1A | C1A | 122.7° | 106.8° |
| C7 | C6 | H6 | 116.0° | 109.5° |
| C6 | C7 | C8 | 110.2° | 109.5° |
| C6 | C7 | H71 | 109.1° | 109.5° |
| C6 | C7 | H72 | 109.2° | 109.5° |
| C8 | C7 | H71 | 109.0° | 109.5° |
| C8 | C7 | H72 | 109.2° | 109.5° |
| C7 | C8 | C9 | 113.6° | 109.6° |
| C7 | C8 | C21 | 111.9° | 109.4° |
| C7 | C8 | H8 | 104.8° | 109.5° |
| H71 | C7 | H72 | 110.1° | 109.4° |
| C9 | C8 | C21 | 109.7° | 109.4° |
| C9 | C8 | H8 | 107.3° | 109.4° |
| C8 | C9 | C10 | 116.9° | 120.1° |
| C8 | C9 | O9 | 119.1° | 120.0° |
| C21 | C8 | H8 | 109.2° | 109.5° |
| C8 | C21 | H211 | 109.4° | 109.5° |
| C8 | C21 | H212 | 109.5° | 109.5° |
| C8 | C21 | H213 | 109.5° | 109.5° |
| C10 | C9 | O9 | 124.0° | 119.9° |
| C9 | C10 | C11 | 127.2° | 119.9° |
| C9 | C10 | H10 | 116.4° | 120.1° |
| C11 | C10 | H10 | 116.4° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.2° |
| C10 | C11 | H11 | 120.2° | 119.9° |
| C12 | C11 | H11 | 120.3° | 119.9° |
| C11 | C12 | C13 | 119.4° | 120.2° |
| C11 | C12 | C22 | 117.3° | 119.9° |
| C13 | C12 | C22 | 123.2° | 119.8° |
| C12 | C13 | C14 | 133.6° | 119.8° |
| C12 | C13 | H13 | 113.2° | 120.1° |
| C12 | C22 | H221 | 109.5° | 109.5° |
| C12 | C22 | H222 | 109.5° | 109.5° |
| C12 | C22 | H223 | 109.5° | 109.5° |
| C14 | C13 | H13 | 113.2° | 120.0° |
| C13 | C14 | C15 | 99.0° | 109.6° |
| C13 | C14 | C23 | 114.0° | 109.4° |
| C13 | C14 | H14 | 111.7° | 109.5° |
| C15 | C14 | C23 | 103.8° | 109.4° |
| C15 | C14 | H14 | 120.8° | 109.5° |
| C14 | C15 | C16 | 113.3° | 109.5° |
| C14 | C15 | O15 | 116.0° | 109.4° |
| C14 | C15 | H15 | 99.1° | 109.5° |
| C23 | C14 | H14 | 107.5° | 109.4° |
| C14 | C23 | O1C | 111.7° | 109.4° |
| C14 | C23 | H231 | 108.2° | 109.5° |
| C14 | C23 | H232 | 108.7° | 109.5° |
| C16 | C15 | O15 | 96.1° | 109.5° |
| C16 | C15 | H15 | 118.1° | 109.5° |
| C15 | C16 | C17 | 123.5° | 109.5° |
| C15 | C16 | H161 | 101.8° | 109.4° |
| C15 | C16 | H162 | 105.0° | 109.5° |
| O15 | C15 | H15 | 115.5° | 109.5° |
| C17 | C16 | H161 | 101.8° | 109.5° |
| C17 | C16 | H162 | 105.1° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.4° |
| C16 | C17 | H173 | 109.5° | 109.4° |
| H161 | C16 | H162 | 121.3° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.4° |
| O1C | C23 | H231 | 108.2° | 109.4° |
| O1C | C23 | H232 | 108.7° | 109.5° |
| C23 | O1C | C1C | 110.8° | 106.8° |
| H231 | C23 | H232 | 111.2° | 109.5° |
| C2A | C1A | O1A | 113.2° | 109.4° |
| C2A | C1A | O5A | 112.2° | 109.7° |
| C2A | C1A | HC1A | 104.3° | 109.4° |
| C1A | C2A | C3A | 108.9° | 109.0° |
| C1A | C2A | O2A | 109.4° | 109.6° |
| C1A | C2A | HC2A | 110.7° | 109.6° |
| O1A | C1A | O5A | 107.8° | 109.4° |
| O1A | C1A | HC1A | 109.1° | 109.4° |
| O5A | C1A | HC1A | 110.1° | 109.4° |
| C1A | O5A | C5A | 113.5° | 107.6° |
| C3A | C2A | O2A | 111.8° | 109.5° |
| C3A | C2A | HC2A | 108.2° | 109.6° |
| C2A | C3A | C4A | 107.4° | 108.6° |
| C2A | C3A | N3A | 113.2° | 109.8° |
| C2A | C3A | HC3A | 108.5° | 109.7° |
| O2A | C2A | HC2A | 107.8° | 109.6° |
| C2A | O2A | H02A | 109.5° | 106.8° |
| C4A | C3A | N3A | 109.9° | 109.6° |
| C4A | C3A | HC3A | 111.9° | 109.6° |
| C3A | C4A | C5A | 107.3° | 109.0° |
| C3A | C4A | O4A | 106.8° | 109.6° |
| C3A | C4A | HC4A | 114.4° | 109.6° |
| N3A | C3A | HC3A | 106.0° | 109.6° |
| C3A | N3A | C7A | 113.5° | 106.7° |
| C3A | N3A | C8A | 114.1° | 106.7° |
| C5A | C4A | O4A | 114.3° | 109.5° |
| C5A | C4A | HC4A | 106.9° | 109.6° |
| C4A | C5A | C6A | 114.5° | 109.4° |
| C4A | C5A | O5A | 114.3° | 109.8° |
| C4A | C5A | HC5A | 100.7° | 109.5° |
| O4A | C4A | HC4A | 107.4° | 109.5° |
| C4A | O4A | C1B | 116.8° | 106.8° |
| C6A | C5A | O5A | 103.3° | 109.4° |
| C6A | C5A | HC5A | 112.1° | 109.5° |
| C5A | C6A | H6A1 | 109.4° | 109.5° |
| C5A | C6A | H6A2 | 109.4° | 109.4° |
| C5A | C6A | H6A3 | 109.5° | 109.5° |
| O5A | C5A | HC5A | 112.4° | 109.4° |
| H6A1 | C6A | H6A2 | 109.5° | 109.5° |
| H6A1 | C6A | H6A3 | 109.4° | 109.5° |
| H6A2 | C6A | H6A3 | 109.5° | 109.5° |
| N3A | C7A | H7A1 | 109.5° | 109.5° |
| N3A | C7A | H7A2 | 109.5° | 109.5° |
| N3A | C7A | H7A3 | 109.5° | 109.5° |
| C7A | N3A | C8A | 106.1° | 106.7° |
| H7A1 | C7A | H7A2 | 109.5° | 109.5° |
| H7A1 | C7A | H7A3 | 109.4° | 109.5° |
| H7A2 | C7A | H7A3 | 109.5° | 109.4° |
| N3A | C8A | H8A1 | 109.5° | 109.4° |
| N3A | C8A | H8A2 | 109.5° | 109.5° |
| N3A | C8A | H8A3 | 109.5° | 109.5° |
| H8A1 | C8A | H8A2 | 109.5° | 109.5° |
| H8A1 | C8A | H8A3 | 109.4° | 109.4° |
| H8A2 | C8A | H8A3 | 109.5° | 109.5° |
| O4A | C1B | C2B | 113.4° | 109.4° |
| O4A | C1B | O5B | 104.5° | 109.4° |
| O4A | C1B | HC1B | 112.3° | 109.4° |
| C2B | C1B | O5B | 114.8° | 109.7° |
| C2B | C1B | HC1B | 101.3° | 109.4° |
| C1B | C2B | C3B | 109.0° | 109.0° |
| C1B | C2B | H2B1 | 109.8° | 109.5° |
| C1B | C2B | H2B2 | 109.6° | 109.5° |
| O5B | C1B | HC1B | 110.8° | 109.5° |
| C1B | O5B | C5B | 113.3° | 107.7° |
| C3B | C2B | H2B1 | 109.8° | 109.6° |
| C3B | C2B | H2B2 | 109.7° | 109.5° |
| C2B | C3B | C4B | 108.1° | 108.6° |
| C2B | C3B | C7B | 108.3° | 109.6° |
| C2B | C3B | O3B | 108.5° | 109.6° |
| H2B1 | C2B | H2B2 | 109.1° | 109.6° |
| C4B | C3B | C7B | 113.7° | 109.6° |
| C4B | C3B | O3B | 112.2° | 109.7° |
| C3B | C4B | C5B | 110.9° | 109.0° |
| C3B | C4B | O4B | 109.7° | 109.6° |
| C3B | C4B | HC4B | 108.0° | 109.5° |
| C7B | C3B | O3B | 105.8° | 109.6° |
| C3B | C7B | H7B1 | 109.4° | 109.5° |
| C3B | C7B | H7B2 | 109.5° | 109.5° |
| C3B | C7B | H7B3 | 109.5° | 109.5° |
| C3B | O3B | H03B | 109.5° | 106.8° |
| C5B | C4B | O4B | 108.4° | 109.6° |
| C5B | C4B | HC4B | 109.3° | 109.5° |
| C4B | C5B | C6B | 113.7° | 109.4° |
| C4B | C5B | O5B | 110.8° | 109.7° |
| C4B | C5B | HC5B | 104.9° | 109.4° |
| O4B | C4B | HC4B | 110.5° | 109.5° |
| C4B | O4B | HO4B | 109.5° | 106.8° |
| C6B | C5B | O5B | 107.2° | 109.4° |
| C6B | C5B | HC5B | 108.6° | 109.4° |
| C5B | C6B | H6B1 | 109.5° | 109.4° |
| C5B | C6B | H6B2 | 109.5° | 109.5° |
| C5B | C6B | H6B3 | 109.5° | 109.5° |
| O5B | C5B | HC5B | 111.6° | 109.4° |
| H6B1 | C6B | H6B2 | 109.5° | 109.5° |
| H6B1 | C6B | H6B3 | 109.4° | 109.5° |
| H6B2 | C6B | H6B3 | 109.5° | 109.4° |
| H7B1 | C7B | H7B2 | 109.5° | 109.5° |
| H7B1 | C7B | H7B3 | 109.5° | 109.5° |
| H7B2 | C7B | H7B3 | 109.5° | 109.5° |
| C2C | C1C | O1C | 105.9° | 109.4° |
| C2C | C1C | O5C | 100.7° | 109.7° |
| C2C | C1C | HC1C | 115.5° | 109.5° |
| C1C | C2C | C3C | 108.9° | 109.0° |
| C1C | C2C | O2C | 117.1° | 109.5° |
| C1C | C2C | HC2C | 104.6° | 109.7° |
| O1C | C1C | O5C | 104.8° | 109.4° |
| O1C | C1C | HC1C | 112.0° | 109.4° |
| O5C | C1C | HC1C | 116.5° | 109.4° |
| C1C | O5C | C5C | 112.5° | 107.6° |
| C3C | C2C | O2C | 109.9° | 109.5° |
| C3C | C2C | HC2C | 112.6° | 109.5° |
| C2C | C3C | C4C | 112.0° | 108.6° |
| C2C | C3C | O3C | 103.4° | 109.8° |
| C2C | C3C | HC3C | 113.5° | 109.6° |
| O2C | C2C | HC2C | 103.5° | 109.6° |
| C2C | O2C | C7C | 115.1° | 106.8° |
| C4C | C3C | O3C | 113.9° | 109.6° |
| C4C | C3C | HC3C | 102.9° | 109.6° |
| C3C | C4C | C5C | 113.4° | 109.0° |
| C3C | C4C | O4C | 104.8° | 109.6° |
| C3C | C4C | HC4C | 112.8° | 109.6° |
| O3C | C3C | HC3C | 111.6° | 109.7° |
| C3C | O3C | C8C | 120.1° | 106.8° |
| C5C | C4C | O4C | 116.3° | 109.6° |
| C5C | C4C | HC4C | 100.2° | 109.5° |
| C4C | C5C | C6C | 101.8° | 109.4° |
| C4C | C5C | O5C | 107.7° | 109.8° |
| C4C | C5C | HC5C | 116.6° | 109.4° |
| O4C | C4C | HC4C | 109.6° | 109.5° |
| C4C | O4C | H04C | 109.5° | 106.8° |
| C6C | C5C | O5C | 112.8° | 109.4° |
| C6C | C5C | HC5C | 111.8° | 109.4° |
| C5C | C6C | H6C1 | 109.4° | 109.5° |
| C5C | C6C | H6C2 | 109.4° | 109.5° |
| C5C | C6C | H6C3 | 109.5° | 109.5° |
| O5C | C5C | HC5C | 106.3° | 109.4° |
| H6C1 | C6C | H6C2 | 109.5° | 109.4° |
| H6C1 | C6C | H6C3 | 109.5° | 109.4° |
| H6C2 | C6C | H6C3 | 109.5° | 109.5° |
| O2C | C7C | H7C1 | 109.5° | 109.5° |
| O2C | C7C | H7C2 | 109.5° | 109.4° |
| O2C | C7C | H7C3 | 109.5° | 109.5° |
| H7C1 | C7C | H7C2 | 109.5° | 109.5° |
| H7C1 | C7C | H7C3 | 109.5° | 109.5° |
| H7C2 | C7C | H7C3 | 109.5° | 109.5° |
| O3C | C8C | H8C1 | 109.5° | 109.5° |
| O3C | C8C | H8C2 | 109.4° | 109.4° |
| O3C | C8C | H8C3 | 109.5° | 109.5° |
| H8C1 | C8C | H8C2 | 109.5° | 109.5° |
| H8C1 | C8C | H8C3 | 109.5° | 109.5° |
| H8C2 | C8C | H8C3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C6 | H191 | 119.6° | 120.0° |
| C20 | C19 | C6 | H192 | 120.0° | 120.0° |
| C20 | C19 | H191 | H192 | 119.8° | 120.0° |
| C19 | C20 | O20 | H20 | 180.0° | 180.0° |
| C20 | C19 | C6 | C5 | 67.1° | 176.7° |
| C20 | C19 | C6 | C7 | 172.6° | 63.3° |
| C20 | C19 | C6 | H6 | 60.3° | 56.7° |
| C6 | C19 | H191 | H192 | 119.7° | 120.1° |
| C6 | C19 | C20 | O20 | 53.2° | 120.2° |
| C6 | C19 | C20 | H20 | 126.9° | 59.8° |
| C19 | C6 | C5 | C4 | 163.1° | 3.2° |
| C19 | C6 | C5 | C7 | 109.3° | 120.0° |
| C19 | C6 | C5 | H6 | 124.6° | 120.0° |
| C19 | C6 | C5 | O1A | 66.4° | 123.2° |
| C19 | C6 | C5 | H5 | 51.2° | 116.8° |
| C19 | C6 | C7 | H6 | 124.7° | 120.0° |
| C19 | C6 | C7 | C8 | 83.2° | 84.5° |
| C19 | C6 | C7 | H71 | 157.1° | 35.5° |
| C19 | C6 | C7 | H72 | 36.8° | 155.4° |
| H191 | C19 | C20 | O20 | 172.8° | 119.8° |
| H191 | C19 | C20 | H20 | 7.3° | 60.2° |
| H191 | C19 | C6 | C5 | 52.5° | 56.7° |
| H191 | C19 | C6 | C7 | 53.0° | 176.7° |
| H191 | C19 | C6 | H6 | 179.9° | 63.3° |
| H192 | C19 | C20 | O20 | 66.8° | 0.2° |
| H192 | C19 | C20 | H20 | 113.1° | 179.8° |
| H192 | C19 | C6 | C5 | 172.9° | 63.4° |
| H192 | C19 | C6 | C7 | 67.4° | 56.7° |
| H192 | C19 | C6 | H6 | 59.7° | 176.7° |
| C2 | C1 | O1 | O15 | 179.2° | 179.9° |
| C1 | C2 | C3 | H21 | 116.0° | 119.9° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 117.6° | 120.0° |
| C1 | C2 | C3 | C4 | 145.7° | 151.8° |
| C1 | C2 | C3 | O3 | 92.2° | 88.2° |
| C1 | C2 | C3 | H3 | 30.1° | 31.8° |
| C2 | C1 | O15 | C15 | 175.6° | 179.9° |
| O1 | C1 | C2 | C3 | 45.3° | 70.7° |
| O1 | C1 | C2 | H21 | 161.3° | 49.3° |
| O1 | C1 | C2 | H22 | 74.7° | 169.2° |
| O1 | C1 | O15 | C15 | 3.7° | 0.0° |
| O15 | C1 | C2 | C3 | 134.1° | 109.2° |
| O15 | C1 | C2 | H21 | 18.1° | 130.8° |
| O15 | C1 | C2 | H22 | 106.0° | 10.8° |
| C1 | O15 | C15 | C14 | 118.4° | 154.8° |
| C1 | O15 | C15 | C16 | 122.0° | 85.2° |
| C1 | O15 | C15 | H15 | 3.1° | 34.8° |
| C3 | C2 | H21 | H22 | 117.6° | 120.0° |
| C2 | C3 | C4 | O3 | 117.1° | 120.0° |
| C2 | C3 | C4 | H3 | 120.7° | 120.0° |
| C2 | C3 | O3 | H3 | 120.9° | 120.0° |
| C2 | C3 | C4 | C5 | 175.6° | 145.6° |
| C2 | C3 | C4 | C18 | 58.4° | 94.4° |
| C2 | C3 | C4 | H4 | 63.1° | 25.6° |
| C2 | C3 | O3 | H03 | 110.6° | 60.0° |
| H21 | C2 | C3 | C4 | 29.7° | 88.3° |
| H21 | C2 | C3 | O3 | 151.8° | 31.7° |
| H21 | C2 | C3 | H3 | 85.9° | 151.7° |
| H22 | C2 | C3 | C4 | 94.3° | 31.8° |
| H22 | C2 | C3 | O3 | 27.8° | 151.7° |
| H22 | C2 | C3 | H3 | 150.0° | 88.3° |
| C4 | C3 | O3 | H3 | 115.7° | 120.0° |
| C3 | C4 | C5 | C18 | 114.8° | 120.0° |
| C3 | C4 | C5 | H4 | 123.4° | 120.0° |
| C3 | C4 | C18 | H4 | 123.4° | 119.9° |
| C3 | C4 | C5 | C6 | 57.8° | 97.5° |
| C3 | C4 | C5 | O1A | 173.7° | 142.5° |
| C3 | C4 | C5 | H5 | 57.0° | 22.5° |
| C3 | C4 | C18 | H181 | 146.1° | 54.5° |
| C3 | C4 | C18 | H182 | 93.8° | 174.4° |
| C3 | C4 | C18 | H183 | 26.2° | 65.6° |
| C4 | C3 | O3 | H03 | 126.0° | 180.0° |
| O3 | C3 | C4 | C5 | 58.5° | 94.4° |
| O3 | C3 | C4 | C18 | 58.7° | 25.6° |
| O3 | C3 | C4 | H4 | 179.8° | 145.6° |
| H3 | C3 | C4 | C5 | 63.7° | 25.5° |
| H3 | C3 | C4 | C18 | 179.2° | 145.6° |
| H3 | C3 | C4 | H4 | 57.7° | 94.5° |
| H3 | C3 | O3 | H03 | 10.3° | 60.0° |
| C5 | C4 | C18 | H4 | 121.6° | 120.0° |
| C4 | C5 | C6 | O1A | 130.5° | 120.0° |
| C4 | C5 | C6 | H5 | 111.9° | 120.0° |
| C4 | C5 | O1A | H5 | 112.3° | 119.9° |
| C4 | C5 | C6 | C7 | 87.6° | 123.2° |
| C4 | C5 | C6 | H6 | 38.5° | 116.8° |
| C5 | C4 | C18 | H181 | 31.1° | 174.6° |
| C5 | C4 | C18 | H182 | 151.2° | 65.5° |
| C5 | C4 | C18 | H183 | 88.8° | 54.5° |
| C4 | C5 | O1A | C1A | 96.2° | 142.8° |
| C18 | C4 | C5 | C6 | 172.7° | 142.5° |
| C18 | C4 | C5 | O1A | 58.9° | 22.5° |
| C18 | C4 | C5 | H5 | 57.8° | 97.5° |
| C4 | C18 | H181 | H182 | 120.0° | 120.0° |
| C4 | C18 | H181 | H183 | 120.0° | 120.1° |
| C4 | C18 | H182 | H183 | 120.0° | 120.0° |
| H4 | C4 | C5 | C6 | 65.6° | 22.5° |
| H4 | C4 | C5 | O1A | 62.9° | 97.5° |
| H4 | C4 | C5 | H5 | 179.6° | 142.5° |
| H4 | C4 | C18 | H181 | 90.5° | 65.4° |
| H4 | C4 | C18 | H182 | 29.5° | 54.5° |
| H4 | C4 | C18 | H183 | 149.5° | 174.5° |
| C6 | C5 | O1A | H5 | 116.1° | 120.0° |
| C5 | C6 | C7 | H6 | 126.4° | 120.0° |
| C5 | C6 | C7 | C8 | 168.0° | 155.5° |
| C5 | C6 | C7 | H71 | 48.3° | 84.5° |
| C5 | C6 | C7 | H72 | 72.0° | 35.5° |
| C6 | C5 | O1A | C1A | 132.2° | 97.1° |
| O1A | C5 | C6 | C7 | 42.9° | 116.8° |
| O1A | C5 | C6 | H6 | 169.0° | 3.2° |
| C5 | O1A | C1A | C2A | 168.3° | 173.9° |
| C5 | O1A | C1A | O5A | 66.9° | 65.9° |
| C5 | O1A | C1A | HC1A | 52.6° | 54.0° |
| H5 | C5 | C6 | C7 | 160.5° | 3.2° |
| H5 | C5 | C6 | H6 | 73.4° | 123.2° |
| H5 | C5 | O1A | C1A | 16.1° | 22.9° |
| C6 | C7 | C8 | H71 | 119.7° | 120.0° |
| C6 | C7 | C8 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H72 | 119.8° | 120.0° |
| C6 | C7 | C8 | C9 | 46.4° | 112.8° |
| C6 | C7 | C8 | C21 | 171.3° | 7.2° |
| C6 | C7 | C8 | H8 | 70.4° | 127.2° |
| H6 | C6 | C7 | C8 | 41.5° | 35.5° |
| H6 | C6 | C7 | H71 | 78.2° | 155.5° |
| H6 | C6 | C7 | H72 | 161.5° | 84.6° |
| C8 | C7 | H71 | H72 | 119.8° | 120.0° |
| C7 | C8 | C9 | C21 | 126.1° | 120.1° |
| C7 | C8 | C9 | H8 | 115.4° | 120.0° |
| C7 | C8 | C21 | H8 | 115.6° | 120.0° |
| C7 | C8 | C9 | C10 | 61.4° | 9.0° |
| C7 | C8 | C9 | O9 | 117.1° | 171.1° |
| C7 | C8 | C21 | H211 | 113.3° | 27.5° |
| C7 | C8 | C21 | H212 | 126.8° | 147.5° |
| C7 | C8 | C21 | H213 | 6.8° | 92.5° |
| H71 | C7 | C8 | C9 | 73.2° | 7.2° |
| H71 | C7 | C8 | C21 | 51.7° | 127.2° |
| H71 | C7 | C8 | H8 | 169.9° | 112.8° |
| H72 | C7 | C8 | C9 | 166.5° | 127.1° |
| H72 | C7 | C8 | C21 | 68.7° | 112.8° |
| H72 | C7 | C8 | H8 | 49.6° | 7.1° |
| C9 | C8 | C21 | H8 | 117.3° | 119.9° |
| C8 | C9 | C10 | O9 | 178.4° | 180.0° |
| C8 | C9 | C10 | C11 | 163.7° | 179.9° |
| C8 | C9 | C10 | H10 | 16.3° | 0.1° |
| C9 | C8 | C21 | H211 | 119.7° | 92.7° |
| C9 | C8 | C21 | H212 | 0.3° | 27.3° |
| C9 | C8 | C21 | H213 | 120.3° | 147.3° |
| C21 | C8 | C9 | C10 | 64.7° | 111.1° |
| C21 | C8 | C9 | O9 | 116.8° | 68.9° |
| C8 | C21 | H211 | H212 | 120.0° | 120.0° |
| C8 | C21 | H211 | H213 | 120.0° | 120.0° |
| C8 | C21 | H212 | H213 | 120.0° | 120.0° |
| H8 | C8 | C9 | C10 | 176.8° | 129.0° |
| H8 | C8 | C9 | O9 | 1.7° | 51.0° |
| H8 | C8 | C21 | H211 | 2.4° | 147.5° |
| H8 | C8 | C21 | H212 | 117.6° | 92.5° |
| H8 | C8 | C21 | H213 | 122.4° | 27.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 165.6° | 180.0° |
| C9 | C10 | C11 | H11 | 14.4° | 0.0° |
| O9 | C9 | C10 | C11 | 14.7° | 0.1° |
| O9 | C9 | C10 | H10 | 165.4° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 175.2° | 0.2° |
| C10 | C11 | C12 | C22 | 0.2° | 179.8° |
| H10 | C10 | C11 | C12 | 14.4° | 0.1° |
| H10 | C10 | C11 | H11 | 165.7° | 179.8° |
| C11 | C12 | C13 | C22 | 175.2° | 179.9° |
| C11 | C12 | C13 | C14 | 174.5° | 180.0° |
| C11 | C12 | C13 | H13 | 5.5° | 0.1° |
| C11 | C12 | C22 | H221 | 3.4° | 7.3° |
| C11 | C12 | C22 | H222 | 123.5° | 127.3° |
| C11 | C12 | C22 | H223 | 116.6° | 112.8° |
| H11 | C11 | C12 | C13 | 4.8° | 179.8° |
| H11 | C11 | C12 | C22 | 179.8° | 0.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 96.6° | 178.5° |
| C12 | C13 | C14 | C23 | 153.9° | 61.5° |
| C12 | C13 | C14 | H14 | 31.8° | 58.4° |
| C13 | C12 | C22 | H221 | 178.7° | 172.7° |
| C13 | C12 | C22 | H222 | 61.3° | 52.7° |
| C13 | C12 | C22 | H223 | 58.7° | 67.3° |
| C22 | C12 | C13 | C14 | 0.7° | 0.1° |
| C22 | C12 | C13 | H13 | 179.3° | 179.9° |
| C12 | C22 | H221 | H222 | 120.0° | 120.0° |
| C12 | C22 | H221 | H223 | 120.0° | 120.0° |
| C12 | C22 | H222 | H223 | 120.0° | 120.0° |
| C13 | C14 | C15 | C23 | 117.6° | 120.0° |
| C13 | C14 | C15 | H14 | 122.0° | 120.1° |
| C13 | C14 | C23 | H14 | 124.4° | 120.0° |
| C13 | C14 | C15 | C16 | 171.4° | 154.7° |
| C13 | C14 | C15 | O15 | 61.7° | 34.7° |
| C13 | C14 | C15 | H15 | 62.6° | 85.3° |
| C13 | C14 | C23 | O1C | 43.6° | 179.8° |
| C13 | C14 | C23 | H231 | 162.6° | 60.3° |
| C13 | C14 | C23 | H232 | 76.4° | 59.8° |
| H13 | C13 | C14 | C15 | 83.4° | 1.4° |
| H13 | C13 | C14 | C23 | 26.1° | 118.5° |
| H13 | C13 | C14 | H14 | 148.2° | 121.5° |
| C15 | C14 | C23 | H14 | 129.1° | 120.0° |
| C14 | C15 | C16 | O15 | 121.7° | 120.0° |
| C14 | C15 | C16 | H15 | 115.1° | 120.0° |
| C14 | C15 | O15 | H15 | 115.3° | 120.0° |
| C14 | C15 | C16 | C17 | 178.5° | 175.0° |
| C14 | C15 | C16 | H161 | 68.7° | 64.9° |
| C14 | C15 | C16 | H162 | 58.5° | 55.0° |
| C15 | C14 | C23 | O1C | 63.0° | 60.1° |
| C15 | C14 | C23 | H231 | 56.1° | 59.8° |
| C15 | C14 | C23 | H232 | 177.0° | 179.9° |
| C23 | C14 | C15 | C16 | 71.0° | 85.3° |
| C23 | C14 | C15 | O15 | 179.2° | 154.7° |
| C23 | C14 | C15 | H15 | 55.0° | 34.7° |
| C14 | C23 | O1C | H231 | 119.1° | 119.9° |
| C14 | C23 | O1C | H232 | 120.0° | 120.0° |
| C14 | C23 | H231 | H232 | 119.4° | 120.1° |
| C14 | C23 | O1C | C1C | 178.8° | 175.2° |
| H14 | C14 | C15 | C16 | 49.4° | 34.6° |
| H14 | C14 | C15 | O15 | 60.3° | 85.4° |
| H14 | C14 | C15 | H15 | 175.4° | 154.6° |
| H14 | C14 | C23 | O1C | 167.9° | 59.8° |
| H14 | C14 | C23 | H231 | 73.0° | 179.7° |
| H14 | C14 | C23 | H232 | 48.0° | 60.2° |
| C16 | C15 | O15 | H15 | 125.1° | 120.0° |
| C15 | C16 | C17 | H161 | 112.8° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.1° |
| C15 | C16 | H161 | H162 | 115.9° | 120.0° |
| C15 | C16 | C17 | H171 | 56.3° | 180.0° |
| C15 | C16 | C17 | H172 | 176.3° | 60.0° |
| C15 | C16 | C17 | H173 | 63.8° | 60.0° |
| O15 | C15 | C16 | C17 | 59.8° | 65.0° |
| O15 | C15 | C16 | H161 | 53.0° | 55.0° |
| O15 | C15 | C16 | H162 | 179.8° | 174.9° |
| H15 | C15 | C16 | C17 | 63.4° | 55.0° |
| H15 | C15 | C16 | H161 | 176.2° | 175.0° |
| H15 | C15 | C16 | H162 | 56.6° | 65.1° |
| C17 | C16 | H161 | H162 | 115.9° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H173 | 120.1° | 120.0° |
| C16 | C17 | H172 | H173 | 120.0° | 119.9° |
| H161 | C16 | C17 | H171 | 56.5° | 60.0° |
| H161 | C16 | C17 | H172 | 63.5° | 60.0° |
| H161 | C16 | C17 | H173 | 176.5° | 180.0° |
| H162 | C16 | C17 | H171 | 176.3° | 59.9° |
| H162 | C16 | C17 | H172 | 63.8° | 179.9° |
| H162 | C16 | C17 | H173 | 56.2° | 60.1° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.1° |
| O1C | C23 | H231 | H232 | 119.4° | 120.0° |
| C23 | O1C | C1C | C2C | 134.9° | 169.1° |
| C23 | O1C | C1C | O5C | 119.1° | 70.7° |
| C23 | O1C | C1C | HC1C | 8.1° | 49.1° |
| H231 | C23 | O1C | C1C | 62.1° | 55.2° |
| H232 | C23 | O1C | C1C | 58.8° | 64.8° |
| C2A | C1A | O1A | O5A | 124.8° | 120.3° |
| C2A | C1A | O1A | HC1A | 115.7° | 119.8° |
| C2A | C1A | O5A | HC1A | 115.8° | 120.0° |
| C1A | C2A | C3A | O2A | 121.0° | 119.9° |
| C1A | C2A | C3A | HC2A | 120.4° | 119.9° |
| C1A | C2A | O2A | HC2A | 120.4° | 120.3° |
| C1A | C2A | C3A | C4A | 58.9° | 53.8° |
| C1A | C2A | C3A | N3A | 179.6° | 173.6° |
| C1A | C2A | C3A | HC3A | 62.2° | 66.0° |
| C2A | C1A | O5A | C5A | 55.7° | 67.6° |
| C1A | C2A | O2A | H02A | 133.1° | 60.5° |
| O1A | C1A | O5A | HC1A | 118.9° | 119.9° |
| O1A | C1A | C2A | C3A | 179.1° | 178.6° |
| O1A | C1A | C2A | O2A | 58.5° | 58.7° |
| O1A | C1A | C2A | HC2A | 60.2° | 61.5° |
| O1A | C1A | O5A | C5A | 179.0° | 172.3° |
| O5A | C1A | C2A | C3A | 56.8° | 61.3° |
| O5A | C1A | C2A | O2A | 179.2° | 178.8° |
| O5A | C1A | C2A | HC2A | 62.1° | 58.6° |
| C1A | O5A | C5A | C4A | 56.2° | 67.6° |
| C1A | O5A | C5A | C6A | 178.8° | 172.4° |
| C1A | O5A | C5A | HC5A | 57.7° | 52.5° |
| HC1A | C1A | C2A | C3A | 62.5° | 58.7° |
| HC1A | C1A | C2A | O2A | 60.0° | 61.1° |
| HC1A | C1A | C2A | HC2A | 178.6° | 178.6° |
| HC1A | C1A | O5A | C5A | 60.0° | 52.4° |
| C3A | C2A | O2A | HC2A | 118.8° | 120.2° |
| C2A | C3A | C4A | N3A | 123.5° | 119.9° |
| C2A | C3A | C4A | HC3A | 119.0° | 119.8° |
| C2A | C3A | N3A | HC3A | 118.9° | 120.5° |
| C2A | C3A | C4A | C5A | 57.2° | 53.8° |
| C2A | C3A | C4A | O4A | 179.9° | 173.6° |
| C2A | C3A | C4A | HC4A | 61.3° | 66.1° |
| C2A | C3A | N3A | C7A | 60.5° | 72.3° |
| C2A | C3A | N3A | C8A | 61.3° | 41.4° |
| C3A | C2A | O2A | H02A | 12.3° | 180.0° |
| O2A | C2A | C3A | C4A | 179.9° | 173.7° |
| O2A | C2A | C3A | N3A | 58.6° | 66.5° |
| O2A | C2A | C3A | HC3A | 58.8° | 53.9° |
| HC2A | C2A | C3A | C4A | 61.5° | 66.1° |
| HC2A | C2A | C3A | N3A | 60.0° | 53.7° |
| HC2A | C2A | C3A | HC3A | 177.3° | 174.1° |
| HC2A | C2A | O2A | H02A | 106.5° | 59.8° |
| C4A | C3A | N3A | HC3A | 121.1° | 120.3° |
| C3A | C4A | C5A | O4A | 118.2° | 119.9° |
| C3A | C4A | C5A | HC4A | 123.1° | 119.9° |
| C3A | C4A | O4A | HC4A | 123.1° | 120.3° |
| C3A | C4A | C5A | C6A | 176.7° | 178.7° |
| C3A | C4A | C5A | O5A | 57.8° | 61.3° |
| C3A | C4A | C5A | HC5A | 62.9° | 58.8° |
| C4A | C3A | N3A | C7A | 179.5° | 168.5° |
| C4A | C3A | N3A | C8A | 58.8° | 77.7° |
| C3A | C4A | O4A | C1B | 152.3° | 148.4° |
| N3A | C3A | C4A | C5A | 179.3° | 173.7° |
| N3A | C3A | C4A | O4A | 56.4° | 66.5° |
| N3A | C3A | C4A | HC4A | 62.3° | 53.8° |
| C3A | N3A | C7A | C8A | 126.1° | 113.8° |
| C3A | N3A | C7A | H7A1 | 100.4° | 169.1° |
| C3A | N3A | C7A | H7A2 | 19.6° | 49.1° |
| C3A | N3A | C7A | H7A3 | 139.6° | 70.9° |
| C3A | N3A | C8A | H8A1 | 74.6° | 56.2° |
| C3A | N3A | C8A | H8A2 | 45.4° | 176.2° |
| C3A | N3A | C8A | H8A3 | 165.4° | 63.7° |
| HC3A | C3A | C4A | C5A | 61.9° | 66.0° |
| HC3A | C3A | C4A | O4A | 61.1° | 53.9° |
| HC3A | C3A | C4A | HC4A | 179.7° | 174.1° |
| HC3A | C3A | N3A | C7A | 58.4° | 48.2° |
| HC3A | C3A | N3A | C8A | 179.9° | 161.9° |
| C5A | C4A | O4A | HC4A | 118.4° | 120.2° |
| C4A | C5A | C6A | O5A | 124.9° | 120.2° |
| C4A | C5A | C6A | HC5A | 113.9° | 119.9° |
| C4A | C5A | O5A | HC5A | 113.9° | 120.1° |
| C4A | C5A | C6A | H6A1 | 20.4° | 177.7° |
| C4A | C5A | C6A | H6A2 | 99.6° | 62.3° |
| C4A | C5A | C6A | H6A3 | 140.4° | 57.6° |
| C5A | C4A | O4A | C1B | 89.3° | 92.1° |
| O4A | C4A | C5A | C6A | 65.1° | 58.8° |
| O4A | C4A | C5A | O5A | 175.9° | 178.8° |
| O4A | C4A | C5A | HC5A | 55.3° | 61.1° |
| C4A | O4A | C1B | C2B | 123.6° | 166.6° |
| C4A | O4A | C1B | O5B | 110.6° | 73.2° |
| C4A | O4A | C1B | HC1B | 9.5° | 46.7° |
| HC4A | C4A | C5A | C6A | 53.5° | 61.4° |
| HC4A | C4A | C5A | O5A | 65.4° | 58.6° |
| HC4A | C4A | C5A | HC5A | 174.0° | 178.7° |
| HC4A | C4A | O4A | C1B | 29.2° | 28.1° |
| C6A | C5A | O5A | HC5A | 121.0° | 119.9° |
| C5A | C6A | H6A1 | H6A2 | 120.0° | 120.0° |
| C5A | C6A | H6A1 | H6A3 | 120.0° | 120.0° |
| C5A | C6A | H6A2 | H6A3 | 120.0° | 120.0° |
| O5A | C5A | C6A | H6A1 | 104.5° | 57.4° |
| O5A | C5A | C6A | H6A2 | 135.5° | 177.4° |
| O5A | C5A | C6A | H6A3 | 15.5° | 62.6° |
| HC5A | C5A | C6A | H6A1 | 134.3° | 62.4° |
| HC5A | C5A | C6A | H6A2 | 14.3° | 57.6° |
| HC5A | C5A | C6A | H6A3 | 105.7° | 177.5° |
| H6A1 | C6A | H6A2 | H6A3 | 120.0° | 120.0° |
| N3A | C7A | H7A1 | H7A2 | 120.0° | 120.0° |
| N3A | C7A | H7A1 | H7A3 | 120.0° | 120.0° |
| N3A | C7A | H7A2 | H7A3 | 120.0° | 120.0° |
| C7A | N3A | C8A | H8A1 | 159.7° | 170.0° |
| C7A | N3A | C8A | H8A2 | 80.3° | 70.0° |
| C7A | N3A | C8A | H8A3 | 39.7° | 50.0° |
| H7A1 | C7A | H7A2 | H7A3 | 120.0° | 120.0° |
| H7A1 | C7A | N3A | C8A | 25.7° | 77.1° |
| H7A2 | C7A | N3A | C8A | 145.7° | 162.9° |
| H7A3 | C7A | N3A | C8A | 94.3° | 42.9° |
| N3A | C8A | H8A1 | H8A2 | 120.0° | 120.0° |
| N3A | C8A | H8A1 | H8A3 | 120.0° | 119.9° |
| N3A | C8A | H8A2 | H8A3 | 120.0° | 120.0° |
| H8A1 | C8A | H8A2 | H8A3 | 120.0° | 120.0° |
| O4A | C1B | C2B | O5B | 120.0° | 120.0° |
| O4A | C1B | C2B | HC1B | 120.5° | 119.8° |
| O4A | C1B | O5B | HC1B | 121.1° | 119.8° |
| O4A | C1B | C2B | C3B | 67.3° | 58.8° |
| O4A | C1B | C2B | H2B1 | 52.9° | 178.7° |
| O4A | C1B | C2B | H2B2 | 172.7° | 61.0° |
| O4A | C1B | O5B | C5B | 72.7° | 52.4° |
| C2B | C1B | O5B | HC1B | 114.0° | 120.1° |
| C1B | C2B | C3B | H2B1 | 120.2° | 119.8° |
| C1B | C2B | C3B | H2B2 | 120.0° | 119.9° |
| C1B | C2B | H2B1 | H2B2 | 120.1° | 120.2° |
| C1B | C2B | C3B | C4B | 55.1° | 53.7° |
| C1B | C2B | C3B | C7B | 178.7° | 173.4° |
| C1B | C2B | C3B | O3B | 66.9° | 66.2° |
| C2B | C1B | O5B | C5B | 52.2° | 67.6° |
| O5B | C1B | C2B | C3B | 52.7° | 61.2° |
| O5B | C1B | C2B | H2B1 | 172.9° | 58.7° |
| O5B | C1B | C2B | H2B2 | 67.3° | 178.9° |
| C1B | O5B | C5B | C4B | 53.8° | 67.7° |
| C1B | O5B | C5B | C6B | 178.4° | 172.3° |
| C1B | O5B | C5B | HC5B | 62.7° | 52.4° |
| HC1B | C1B | C2B | C3B | 172.2° | 178.6° |
| HC1B | C1B | C2B | H2B1 | 67.6° | 61.5° |
| HC1B | C1B | C2B | H2B2 | 52.2° | 58.8° |
| HC1B | C1B | O5B | C5B | 166.2° | 172.2° |
| C3B | C2B | H2B1 | H2B2 | 120.2° | 120.2° |
| C2B | C3B | C4B | C7B | 120.3° | 119.7° |
| C2B | C3B | C4B | O3B | 119.7° | 119.8° |
| C2B | C3B | C7B | O3B | 116.2° | 120.4° |
| C2B | C3B | C4B | C5B | 59.9° | 53.7° |
| C2B | C3B | C4B | O4B | 179.6° | 173.7° |
| C2B | C3B | C4B | HC4B | 59.8° | 66.1° |
| C2B | C3B | C7B | H7B1 | 118.1° | 60.0° |
| C2B | C3B | C7B | H7B2 | 121.9° | 180.0° |
| C2B | C3B | C7B | H7B3 | 1.9° | 60.0° |
| C2B | C3B | O3B | H03B | 168.5° | 60.0° |
| H2B1 | C2B | C3B | C4B | 175.3° | 66.1° |
| H2B1 | C2B | C3B | C7B | 61.1° | 53.6° |
| H2B1 | C2B | C3B | O3B | 53.3° | 174.0° |
| H2B2 | C2B | C3B | C4B | 64.9° | 173.6° |
| H2B2 | C2B | C3B | C7B | 58.7° | 66.7° |
| H2B2 | C2B | C3B | O3B | 173.1° | 53.7° |
| C4B | C3B | C7B | O3B | 123.6° | 120.5° |
| C3B | C4B | C5B | O4B | 120.5° | 119.9° |
| C3B | C4B | C5B | HC4B | 119.0° | 119.8° |
| C3B | C4B | O4B | HC4B | 119.0° | 120.2° |
| C3B | C4B | C5B | C6B | 179.6° | 178.7° |
| C3B | C4B | C5B | O5B | 58.8° | 61.3° |
| C3B | C4B | C5B | HC5B | 61.9° | 58.8° |
| C4B | C3B | C7B | H7B1 | 2.1° | 179.2° |
| C4B | C3B | C7B | H7B2 | 117.9° | 60.8° |
| C4B | C3B | C7B | H7B3 | 122.1° | 59.2° |
| C4B | C3B | O3B | H03B | 49.0° | 179.3° |
| C3B | C4B | O4B | HO4B | 34.4° | 180.0° |
| C7B | C3B | C4B | C5B | 179.8° | 173.4° |
| C7B | C3B | C4B | O4B | 60.1° | 66.6° |
| C7B | C3B | C4B | HC4B | 60.4° | 53.6° |
| C3B | C7B | H7B1 | H7B2 | 120.0° | 120.0° |
| C3B | C7B | H7B1 | H7B3 | 120.0° | 120.0° |
| C3B | C7B | H7B2 | H7B3 | 120.0° | 120.1° |
| C7B | C3B | O3B | H03B | 75.4° | 60.3° |
| O3B | C3B | C4B | C5B | 59.8° | 66.1° |
| O3B | C3B | C4B | O4B | 59.9° | 53.9° |
| O3B | C3B | C4B | HC4B | 179.5° | 174.1° |
| O3B | C3B | C7B | H7B1 | 125.7° | 60.3° |
| O3B | C3B | C7B | H7B2 | 5.7° | 59.7° |
| O3B | C3B | C7B | H7B3 | 114.3° | 179.7° |
| C5B | C4B | O4B | HC4B | 119.8° | 120.2° |
| C4B | C5B | C6B | O5B | 122.8° | 120.2° |
| C4B | C5B | C6B | HC5B | 116.4° | 119.9° |
| C4B | C5B | O5B | HC5B | 116.6° | 120.1° |
| C4B | C5B | C6B | H6B1 | 64.8° | 60.0° |
| C4B | C5B | C6B | H6B2 | 175.2° | 180.0° |
| C4B | C5B | C6B | H6B3 | 55.2° | 60.0° |
| C5B | C4B | O4B | HO4B | 155.6° | 60.4° |
| O4B | C4B | C5B | C6B | 59.9° | 58.8° |
| O4B | C4B | C5B | O5B | 179.2° | 178.8° |
| O4B | C4B | C5B | HC5B | 58.6° | 61.1° |
| HC4B | C4B | C5B | C6B | 60.6° | 61.4° |
| HC4B | C4B | C5B | O5B | 60.2° | 58.6° |
| HC4B | C4B | C5B | HC5B | 179.1° | 178.7° |
| HC4B | C4B | O4B | HO4B | 84.6° | 59.8° |
| C6B | C5B | O5B | HC5B | 118.9° | 119.9° |
| C5B | C6B | H6B1 | H6B2 | 120.0° | 120.0° |
| C5B | C6B | H6B1 | H6B3 | 120.0° | 120.0° |
| C5B | C6B | H6B2 | H6B3 | 120.0° | 120.0° |
| O5B | C5B | C6B | H6B1 | 58.0° | 179.8° |
| O5B | C5B | C6B | H6B2 | 61.9° | 59.7° |
| O5B | C5B | C6B | H6B3 | 178.0° | 60.2° |
| HC5B | C5B | C6B | H6B1 | 178.8° | 59.9° |
| HC5B | C5B | C6B | H6B2 | 58.8° | 60.1° |
| HC5B | C5B | C6B | H6B3 | 61.2° | 179.9° |
| H6B1 | C6B | H6B2 | H6B3 | 120.0° | 120.0° |
| H7B1 | C7B | H7B2 | H7B3 | 120.0° | 120.0° |
| C2C | C1C | O1C | O5C | 106.0° | 120.2° |
| C2C | C1C | O1C | HC1C | 126.8° | 120.0° |
| C2C | C1C | O5C | HC1C | 125.8° | 120.1° |
| C1C | C2C | C3C | O2C | 129.6° | 119.8° |
| C1C | C2C | C3C | HC2C | 115.6° | 120.0° |
| C1C | C2C | O2C | HC2C | 114.5° | 120.4° |
| C1C | C2C | C3C | C4C | 50.9° | 53.9° |
| C1C | C2C | C3C | O3C | 72.2° | 65.9° |
| C1C | C2C | C3C | HC3C | 166.8° | 173.5° |
| C2C | C1C | O5C | C5C | 71.9° | 67.7° |
| C1C | C2C | O2C | C7C | 94.5° | 97.6° |
| O1C | C1C | O5C | HC1C | 124.4° | 119.9° |
| O1C | C1C | C2C | C3C | 167.6° | 178.6° |
| O1C | C1C | C2C | O2C | 66.9° | 58.8° |
| O1C | C1C | C2C | HC2C | 47.0° | 61.5° |
| O1C | C1C | O5C | C5C | 178.2° | 172.3° |
| O5C | C1C | C2C | C3C | 58.7° | 61.4° |
| O5C | C1C | C2C | O2C | 175.8° | 178.8° |
| O5C | C1C | C2C | HC2C | 61.9° | 58.5° |
| C1C | O5C | C5C | C4C | 71.8° | 67.6° |
| C1C | O5C | C5C | C6C | 176.6° | 172.3° |
| C1C | O5C | C5C | HC5C | 53.8° | 52.5° |
| HC1C | C1C | C2C | C3C | 67.7° | 58.7° |
| HC1C | C1C | C2C | O2C | 57.8° | 61.1° |
| HC1C | C1C | C2C | HC2C | 171.7° | 178.6° |
| HC1C | C1C | O5C | C5C | 53.8° | 52.5° |
| C3C | C2C | O2C | HC2C | 120.5° | 120.2° |
| C2C | C3C | C4C | O3C | 116.9° | 120.0° |
| C2C | C3C | C4C | HC3C | 122.2° | 119.7° |
| C2C | C3C | O3C | HC3C | 122.3° | 120.5° |
| C2C | C3C | C4C | C5C | 48.8° | 53.8° |
| C2C | C3C | C4C | O4C | 176.6° | 173.7° |
| C2C | C3C | C4C | HC4C | 64.2° | 66.1° |
| C3C | C2C | O2C | C7C | 140.5° | 142.9° |
| C2C | C3C | O3C | C8C | 135.6° | 150.8° |
| O2C | C2C | C3C | C4C | 179.6° | 173.7° |
| O2C | C2C | C3C | O3C | 57.4° | 53.9° |
| O2C | C2C | C3C | HC3C | 63.7° | 66.7° |
| C2C | O2C | C7C | H7C1 | 88.4° | 175.1° |
| C2C | O2C | C7C | H7C2 | 151.6° | 55.1° |
| C2C | O2C | C7C | H7C3 | 31.6° | 64.9° |
| HC2C | C2C | C3C | C4C | 64.7° | 66.1° |
| HC2C | C2C | C3C | O3C | 172.2° | 174.1° |
| HC2C | C2C | C3C | HC3C | 51.2° | 53.5° |
| HC2C | C2C | O2C | C7C | 20.0° | 22.7° |
| C4C | C3C | O3C | HC3C | 116.0° | 120.3° |
| C3C | C4C | C5C | O4C | 121.6° | 119.9° |
| C3C | C4C | C5C | HC4C | 120.4° | 119.9° |
| C3C | C4C | O4C | HC4C | 121.3° | 120.2° |
| C3C | C4C | C5C | C6C | 174.3° | 178.7° |
| C3C | C4C | C5C | O5C | 55.5° | 61.3° |
| C3C | C4C | C5C | HC5C | 63.7° | 58.8° |
| C4C | C3C | O3C | C8C | 102.7° | 90.1° |
| C3C | C4C | O4C | H04C | 44.7° | 179.5° |
| O3C | C3C | C4C | C5C | 68.1° | 66.2° |
| O3C | C3C | C4C | O4C | 59.8° | 53.7° |
| O3C | C3C | C4C | HC4C | 178.9° | 174.0° |
| C3C | O3C | C8C | H8C1 | 56.8° | 59.9° |
| C3C | O3C | C8C | H8C2 | 176.8° | 60.0° |
| C3C | O3C | C8C | H8C3 | 63.2° | 180.0° |
| HC3C | C3C | C4C | C5C | 171.0° | 173.5° |
| HC3C | C3C | C4C | O4C | 61.2° | 66.6° |
| HC3C | C3C | C4C | HC4C | 58.0° | 53.6° |
| HC3C | C3C | O3C | C8C | 13.3° | 30.2° |
| C5C | C4C | O4C | HC4C | 112.7° | 120.2° |
| C4C | C5C | C6C | O5C | 115.1° | 120.3° |
| C4C | C5C | C6C | HC5C | 125.2° | 119.8° |
| C4C | C5C | O5C | HC5C | 125.6° | 120.1° |
| C4C | C5C | C6C | H6C1 | 53.8° | 179.7° |
| C4C | C5C | C6C | H6C2 | 66.2° | 59.7° |
| C4C | C5C | C6C | H6C3 | 173.8° | 60.3° |
| C5C | C4C | O4C | H04C | 81.3° | 59.9° |
| O4C | C4C | C5C | C6C | 64.0° | 58.7° |
| O4C | C4C | C5C | O5C | 177.1° | 178.8° |
| O4C | C4C | C5C | HC5C | 57.9° | 61.1° |
| HC4C | C4C | C5C | C6C | 53.9° | 61.5° |
| HC4C | C4C | C5C | O5C | 64.9° | 58.6° |
| HC4C | C4C | C5C | HC5C | 175.8° | 178.7° |
| HC4C | C4C | O4C | H04C | 166.0° | 60.2° |
| C6C | C5C | O5C | HC5C | 122.8° | 119.9° |
| C5C | C6C | H6C1 | H6C2 | 120.0° | 120.0° |
| C5C | C6C | H6C1 | H6C3 | 120.0° | 120.0° |
| C5C | C6C | H6C2 | H6C3 | 120.0° | 120.0° |
| O5C | C5C | C6C | H6C1 | 61.3° | 60.0° |
| O5C | C5C | C6C | H6C2 | 178.7° | 180.0° |
| O5C | C5C | C6C | H6C3 | 58.7° | 60.0° |
| HC5C | C5C | C6C | H6C1 | 178.9° | 59.8° |
| HC5C | C5C | C6C | H6C2 | 58.9° | 60.2° |
| HC5C | C5C | C6C | H6C3 | 61.1° | 179.9° |
| H6C1 | C6C | H6C2 | H6C3 | 120.0° | 119.9° |
| O2C | C7C | H7C1 | H7C2 | 120.0° | 120.0° |
| O2C | C7C | H7C1 | H7C3 | 120.0° | 120.0° |
| O2C | C7C | H7C2 | H7C3 | 120.0° | 120.0° |
| H7C1 | C7C | H7C2 | H7C3 | 120.0° | 120.0° |
| O3C | C8C | H8C1 | H8C2 | 120.0° | 119.9° |
| O3C | C8C | H8C1 | H8C3 | 120.0° | 120.0° |
| O3C | C8C | H8C2 | H8C3 | 120.0° | 120.0° |
| H8C1 | C8C | H8C2 | H8C3 | 120.0° | 120.0° |
