SPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C6 | sing | 1.53Å | 1.50Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | O19 | doub | 1.21Å | 1.36Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | O15 | sing | 1.34Å | 1.21Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.42Å | |
| C5 | O1A | sing | 1.43Å | 1.58Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.65Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C20 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C9 | O1C | sing | 1.43Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.33Å | 1.35Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.33Å | 1.43Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.51Å | 1.57Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.53Å | 1.60Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | O15 | sing | 1.45Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | sing | 1.43Å | 1.41Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1A | C2A | sing | 1.53Å | 1.57Å | |
| C1A | O1A | sing | 1.43Å | 1.41Å | |
| C1A | O5A | sing | 1.43Å | 1.42Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C2A | C3A | sing | 1.53Å | 1.61Å | |
| C2A | O2A | sing | 1.43Å | 1.40Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C3A | C4A | sing | 1.53Å | 1.53Å | |
| C3A | N3A | sing | 1.47Å | 1.50Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| C4A | C5A | sing | 1.53Å | 1.64Å | |
| C4A | O4A | sing | 1.43Å | 1.47Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C5A | C6A | sing | 1.53Å | 1.53Å | |
| C5A | O5A | sing | 1.43Å | 1.33Å | |
| C5A | H5A | 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 | 1.40Å | |
| 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 | 1.47Å | |
| C8A | H8A1 | sing | 1.09Å | 1.10Å | |
| C8A | H8A2 | sing | 1.09Å | 1.10Å | |
| C8A | H8A3 | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O4A | C1B | sing | 1.43Å | 1.31Å | |
| C1B | C2B | sing | 1.53Å | 1.56Å | |
| C1B | O5B | sing | 1.43Å | 1.38Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2B | C3B | sing | 1.53Å | 1.58Å | |
| C2B | H2B1 | sing | 1.09Å | 1.10Å | |
| C2B | H2B2 | sing | 1.09Å | 1.10Å | |
| C3B | C4B | sing | 1.53Å | 1.53Å | |
| C3B | C7B | sing | 1.53Å | 1.54Å | |
| C3B | O3B | sing | 1.43Å | 1.40Å | |
| C4B | C5B | sing | 1.53Å | 1.57Å | |
| C4B | O4B | sing | 1.43Å | 1.40Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C5B | C6B | sing | 1.53Å | 1.59Å | |
| C5B | O5B | sing | 1.43Å | 1.50Å | |
| C5B | H5B | 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 | HO3B | sing | 0.97Å | 0.95Å | |
| O4B | HO4B | sing | 0.97Å | 0.95Å | |
| C1C | C2C | sing | 1.53Å | 1.63Å | |
| C1C | O1C | sing | 1.43Å | 1.31Å | |
| C1C | O5C | sing | 1.43Å | 1.44Å | |
| C1C | H1C1 | sing | 1.09Å | 1.10Å | |
| C2C | C3C | sing | 1.53Å | 1.47Å | |
| C2C | H2C1 | sing | 1.09Å | 1.10Å | |
| C2C | H2C2 | sing | 1.09Å | 1.10Å | |
| C3C | C4C | sing | 1.53Å | 1.68Å | |
| C3C | H3C1 | sing | 1.09Å | 1.10Å | |
| C3C | H3C2 | sing | 1.09Å | 1.10Å | |
| C4C | C5C | sing | 1.53Å | 1.64Å | |
| C4C | N4C | sing | 1.47Å | 1.63Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| C5C | C6C | sing | 1.53Å | 1.52Å | |
| C5C | O5C | sing | 1.43Å | 1.47Å | |
| C5C | H5C | 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 | N4C | sing | 1.47Å | 1.53Å | |
| C7C | H7C1 | sing | 1.09Å | 1.10Å | |
| C7C | H7C2 | sing | 1.09Å | 1.10Å | |
| C7C | H7C3 | sing | 1.09Å | 1.10Å | |
| C8C | N4C | sing | 1.47Å | 1.52Å | |
| C8C | H8C1 | sing | 1.09Å | 1.10Å | |
| C8C | H8C2 | sing | 1.09Å | 1.10Å | |
| C8C | H8C3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C6 | 114.4° | 109.5° |
| C19 | C18 | H181 | 106.7° | 109.5° |
| C19 | C18 | H182 | 107.8° | 109.5° |
| C18 | C19 | O19 | 102.2° | 120.1° |
| C18 | C19 | H19 | 128.9° | 120.0° |
| C6 | C18 | H181 | 106.7° | 109.4° |
| C6 | C18 | H182 | 107.9° | 109.5° |
| C18 | C6 | C5 | 108.4° | 109.5° |
| C18 | C6 | C7 | 110.2° | 109.5° |
| C18 | C6 | H6 | 109.5° | 109.4° |
| H181 | C18 | H182 | 113.4° | 109.5° |
| O19 | C19 | H19 | 128.9° | 119.9° |
| C2 | C1 | O1 | 119.5° | 120.0° |
| C2 | C1 | O15 | 115.2° | 120.0° |
| C1 | C2 | C3 | 116.0° | 109.5° |
| C1 | C2 | H21 | 105.8° | 109.5° |
| C1 | C2 | H22 | 107.3° | 109.4° |
| O1 | C1 | O15 | 125.3° | 120.0° |
| C1 | O15 | C15 | 121.6° | 120.0° |
| C3 | C2 | H21 | 105.8° | 109.5° |
| C3 | C2 | H22 | 107.3° | 109.5° |
| C2 | C3 | C4 | 114.2° | 109.4° |
| C2 | C3 | O3 | 105.5° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.6° |
| H21 | C2 | H22 | 114.8° | 109.5° |
| C4 | C3 | O3 | 108.7° | 109.4° |
| C4 | C3 | H3 | 105.6° | 109.5° |
| C3 | C4 | C5 | 106.9° | 109.4° |
| C3 | C4 | O4 | 109.6° | 109.5° |
| C3 | C4 | H4 | 111.2° | 109.4° |
| O3 | C3 | H3 | 114.3° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C5 | C4 | O4 | 109.8° | 109.5° |
| C5 | C4 | H4 | 111.0° | 109.4° |
| C4 | C5 | C6 | 116.5° | 109.5° |
| C4 | C5 | O1A | 109.0° | 109.4° |
| C4 | C5 | H5 | 104.5° | 109.5° |
| O4 | C4 | H4 | 108.4° | 109.5° |
| C4 | O4 | C17 | 104.4° | 106.8° |
| C6 | C5 | O1A | 108.4° | 109.5° |
| C6 | C5 | H5 | 105.2° | 109.5° |
| C5 | C6 | C7 | 108.8° | 109.5° |
| C5 | C6 | H6 | 110.8° | 109.5° |
| O1A | C5 | H5 | 113.2° | 109.4° |
| C5 | O1A | C1A | 124.2° | 106.8° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| C6 | C7 | C8 | 117.4° | 109.5° |
| C6 | C7 | H71 | 105.1° | 109.5° |
| C6 | C7 | H72 | 106.9° | 109.4° |
| C8 | C7 | H71 | 105.1° | 109.5° |
| C8 | C7 | H72 | 106.9° | 109.5° |
| C7 | C8 | C9 | 121.6° | 109.4° |
| C7 | C8 | C20 | 111.4° | 109.5° |
| C7 | C8 | H8 | 98.0° | 109.5° |
| H71 | C7 | H72 | 115.9° | 109.5° |
| C9 | C8 | C20 | 107.5° | 109.4° |
| C9 | C8 | H8 | 102.9° | 109.5° |
| C8 | C9 | C10 | 107.9° | 109.3° |
| C8 | C9 | O1C | 125.0° | 109.6° |
| C8 | C9 | H9 | 98.3° | 109.5° |
| C20 | C8 | H8 | 115.2° | 109.5° |
| C8 | C20 | H201 | 109.4° | 109.5° |
| C8 | C20 | H202 | 109.5° | 109.5° |
| C8 | C20 | H203 | 109.5° | 109.5° |
| C10 | C9 | O1C | 106.4° | 109.5° |
| C10 | C9 | H9 | 120.0° | 109.5° |
| C9 | C10 | C11 | 124.8° | 120.0° |
| C9 | C10 | H10 | 117.6° | 120.0° |
| O1C | C9 | H9 | 100.2° | 109.5° |
| C9 | O1C | C1C | 109.9° | 106.8° |
| C11 | C10 | H10 | 117.6° | 120.0° |
| C10 | C11 | C12 | 126.4° | 119.9° |
| C10 | C11 | H11 | 116.8° | 120.1° |
| C12 | C11 | H11 | 116.8° | 120.0° |
| C11 | C12 | C13 | 117.8° | 120.0° |
| C11 | C12 | H12 | 121.1° | 119.9° |
| C13 | C12 | H12 | 121.1° | 120.1° |
| C12 | C13 | C14 | 120.3° | 119.9° |
| C12 | C13 | H13 | 119.9° | 120.1° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | 102.9° | 109.4° |
| C13 | C14 | H141 | 113.1° | 109.5° |
| C13 | C14 | H142 | 111.7° | 109.5° |
| C15 | C14 | H141 | 113.1° | 109.5° |
| C15 | C14 | H142 | 111.7° | 109.5° |
| C14 | C15 | C16 | 123.6° | 109.5° |
| C14 | C15 | O15 | 113.8° | 109.5° |
| C14 | C15 | H15 | 93.0° | 109.5° |
| H141 | C14 | H142 | 104.5° | 109.5° |
| C16 | C15 | O15 | 102.4° | 109.5° |
| C16 | C15 | H15 | 106.7° | 109.4° |
| C15 | C16 | H161 | 109.4° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.4° |
| O15 | C15 | H15 | 118.1° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| O4 | C17 | H171 | 109.5° | 109.5° |
| O4 | C17 | H172 | 109.5° | 109.5° |
| O4 | C17 | H173 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| C2A | C1A | O1A | 111.9° | 109.4° |
| C2A | C1A | O5A | 106.8° | 109.7° |
| C2A | C1A | H1A | 109.6° | 109.4° |
| C1A | C2A | C3A | 105.1° | 109.0° |
| C1A | C2A | O2A | 103.1° | 109.5° |
| C1A | C2A | H2A | 117.5° | 109.6° |
| O1A | C1A | O5A | 109.3° | 109.4° |
| O1A | C1A | H1A | 107.1° | 109.4° |
| O5A | C1A | H1A | 112.2° | 109.4° |
| C1A | O5A | C5A | 113.8° | 107.6° |
| C3A | C2A | O2A | 113.2° | 109.6° |
| C3A | C2A | H2A | 108.1° | 109.5° |
| C2A | C3A | C4A | 111.1° | 108.6° |
| C2A | C3A | N3A | 112.9° | 109.7° |
| C2A | C3A | H3A | 103.2° | 109.7° |
| O2A | C2A | H2A | 109.9° | 109.6° |
| C2A | O2A | HO2A | 109.5° | 106.8° |
| C4A | C3A | N3A | 98.7° | 109.6° |
| C4A | C3A | H3A | 116.5° | 109.6° |
| C3A | C4A | C5A | 94.0° | 109.0° |
| C3A | C4A | O4A | 106.2° | 109.6° |
| C3A | C4A | H4A | 123.5° | 109.5° |
| N3A | C3A | H3A | 114.8° | 109.6° |
| C3A | N3A | C7A | 103.0° | 106.7° |
| C3A | N3A | C8A | 110.2° | 106.7° |
| C5A | C4A | O4A | 117.2° | 109.6° |
| C5A | C4A | H4A | 113.7° | 109.5° |
| C4A | C5A | C6A | 106.7° | 109.4° |
| C4A | C5A | O5A | 117.0° | 109.8° |
| C4A | C5A | H5A | 104.4° | 109.4° |
| O4A | C4A | H4A | 102.9° | 109.5° |
| C4A | O4A | C1B | 110.7° | 106.8° |
| C6A | C5A | O5A | 102.7° | 109.4° |
| C6A | C5A | H5A | 118.3° | 109.4° |
| C5A | C6A | H6A1 | 109.5° | 109.5° |
| C5A | C6A | H6A2 | 109.5° | 109.5° |
| C5A | C6A | H6A3 | 109.5° | 109.5° |
| O5A | C5A | H5A | 108.3° | 109.4° |
| H6A1 | C6A | H6A2 | 109.5° | 109.5° |
| H6A1 | C6A | H6A3 | 109.5° | 109.4° |
| 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 | 82.4° | 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° | 109.5° |
| N3A | C8A | H8A2 | 109.5° | 109.5° |
| N3A | C8A | H8A3 | 109.5° | 109.5° |
| H8A1 | C8A | H8A2 | 109.5° | 109.4° |
| H8A1 | C8A | H8A3 | 109.4° | 109.5° |
| H8A2 | C8A | H8A3 | 109.4° | 109.4° |
| O4A | C1B | C2B | 114.1° | 109.4° |
| O4A | C1B | O5B | 103.9° | 109.4° |
| O4A | C1B | H1B | 113.3° | 109.4° |
| C2B | C1B | O5B | 117.2° | 109.7° |
| C2B | C1B | H1B | 98.8° | 109.4° |
| C1B | C2B | C3B | 111.6° | 109.0° |
| C1B | C2B | H2B1 | 108.3° | 109.5° |
| C1B | C2B | H2B2 | 108.7° | 109.6° |
| O5B | C1B | H1B | 109.9° | 109.5° |
| C1B | O5B | C5B | 113.8° | 107.7° |
| C3B | C2B | H2B1 | 108.2° | 109.5° |
| C3B | C2B | H2B2 | 108.8° | 109.5° |
| C2B | C3B | C4B | 108.6° | 108.7° |
| C2B | C3B | C7B | 111.4° | 109.6° |
| C2B | C3B | O3B | 105.3° | 109.6° |
| H2B1 | C2B | H2B2 | 111.2° | 109.6° |
| C4B | C3B | C7B | 113.5° | 109.6° |
| C4B | C3B | O3B | 111.0° | 109.8° |
| C3B | C4B | C5B | 110.8° | 109.0° |
| C3B | C4B | O4B | 111.2° | 109.6° |
| C3B | C4B | H4B | 107.6° | 109.5° |
| C7B | C3B | O3B | 106.8° | 109.6° |
| C3B | C7B | H7B1 | 109.5° | 109.5° |
| C3B | C7B | H7B2 | 109.5° | 109.5° |
| C3B | C7B | H7B3 | 109.5° | 109.5° |
| C3B | O3B | HO3B | 109.5° | 106.8° |
| C5B | C4B | O4B | 110.0° | 109.6° |
| C5B | C4B | H4B | 108.8° | 109.5° |
| C4B | C5B | C6B | 112.9° | 109.4° |
| C4B | C5B | O5B | 111.9° | 109.8° |
| C4B | C5B | H5B | 105.1° | 109.4° |
| O4B | C4B | H4B | 108.4° | 109.6° |
| C4B | O4B | HO4B | 109.5° | 106.8° |
| C6B | C5B | O5B | 108.5° | 109.4° |
| C6B | C5B | H5B | 108.7° | 109.5° |
| C5B | C6B | H6B1 | 109.5° | 109.4° |
| C5B | C6B | H6B2 | 109.4° | 109.4° |
| C5B | C6B | H6B3 | 109.5° | 109.5° |
| O5B | C5B | H5B | 109.7° | 109.4° |
| H6B1 | C6B | H6B2 | 109.5° | 109.5° |
| H6B1 | C6B | H6B3 | 109.4° | 109.5° |
| H6B2 | C6B | H6B3 | 109.5° | 109.5° |
| H7B1 | C7B | H7B2 | 109.5° | 109.5° |
| H7B1 | C7B | H7B3 | 109.5° | 109.5° |
| H7B2 | C7B | H7B3 | 109.5° | 109.5° |
| C2C | C1C | O1C | 109.7° | 109.4° |
| C2C | C1C | O5C | 116.7° | 109.8° |
| C2C | C1C | H1C1 | 100.3° | 109.4° |
| C1C | C2C | C3C | 105.9° | 109.0° |
| C1C | C2C | H2C1 | 111.5° | 109.6° |
| C1C | C2C | H2C2 | 110.7° | 109.6° |
| O1C | C1C | O5C | 90.4° | 109.4° |
| O1C | C1C | H1C1 | 123.4° | 109.4° |
| O5C | C1C | H1C1 | 117.2° | 109.4° |
| C1C | O5C | C5C | 105.8° | 107.6° |
| C3C | C2C | H2C1 | 111.5° | 109.5° |
| C3C | C2C | H2C2 | 110.7° | 109.5° |
| C2C | C3C | C4C | 107.9° | 108.7° |
| C2C | C3C | H3C1 | 110.4° | 109.6° |
| C2C | C3C | H3C2 | 110.0° | 109.6° |
| H2C1 | C2C | H2C2 | 106.7° | 109.6° |
| C4C | C3C | H3C1 | 110.3° | 109.6° |
| C4C | C3C | H3C2 | 110.0° | 109.6° |
| C3C | C4C | C5C | 117.9° | 109.0° |
| C3C | C4C | N4C | 121.2° | 109.6° |
| C3C | C4C | H4C | 91.3° | 109.5° |
| H3C1 | C3C | H3C2 | 108.2° | 109.7° |
| C5C | C4C | N4C | 108.5° | 109.6° |
| C5C | C4C | H4C | 110.0° | 109.5° |
| C4C | C5C | C6C | 118.9° | 109.4° |
| C4C | C5C | O5C | 112.5° | 109.7° |
| C4C | C5C | H5C | 99.0° | 109.4° |
| N4C | C4C | H4C | 105.2° | 109.6° |
| C4C | N4C | C7C | 135.0° | 106.7° |
| C4C | N4C | C8C | 107.9° | 106.7° |
| C6C | C5C | O5C | 105.5° | 109.4° |
| C6C | C5C | H5C | 107.0° | 109.4° |
| C5C | C6C | H6C1 | 109.5° | 109.5° |
| C5C | C6C | H6C2 | 109.5° | 109.5° |
| C5C | C6C | H6C3 | 109.5° | 109.5° |
| O5C | C5C | H5C | 114.1° | 109.5° |
| H6C1 | C6C | H6C2 | 109.5° | 109.5° |
| H6C1 | C6C | H6C3 | 109.4° | 109.4° |
| H6C2 | C6C | H6C3 | 109.4° | 109.4° |
| N4C | C7C | H7C1 | 109.5° | 109.5° |
| N4C | C7C | H7C2 | 109.5° | 109.5° |
| N4C | C7C | H7C3 | 109.5° | 109.5° |
| C7C | N4C | C8C | 105.0° | 106.7° |
| H7C1 | C7C | H7C2 | 109.5° | 109.4° |
| H7C1 | C7C | H7C3 | 109.5° | 109.5° |
| H7C2 | C7C | H7C3 | 109.5° | 109.5° |
| N4C | C8C | H8C1 | 109.5° | 109.5° |
| N4C | C8C | H8C2 | 109.5° | 109.5° |
| N4C | C8C | H8C3 | 109.5° | 109.5° |
| H8C1 | C8C | H8C2 | 109.5° | 109.5° |
| H8C1 | C8C | H8C3 | 109.4° | 109.4° |
| H8C2 | C8C | H8C3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C6 | H181 | 117.8° | 120.0° |
| C19 | C18 | C6 | H182 | 120.0° | 120.0° |
| C19 | C18 | H181 | H182 | 118.6° | 120.0° |
| C18 | C19 | O19 | H19 | 180.0° | 180.0° |
| C19 | C18 | C6 | C5 | 60.6° | 58.7° |
| C19 | C18 | C6 | C7 | 179.6° | 178.8° |
| C19 | C18 | C6 | H6 | 60.4° | 61.3° |
| C6 | C18 | H181 | H182 | 118.6° | 120.0° |
| C6 | C18 | C19 | O19 | 79.3° | 127.3° |
| C6 | C18 | C19 | H19 | 100.7° | 52.7° |
| C18 | C6 | C5 | C4 | 163.4° | 20.1° |
| C18 | C6 | C5 | C7 | 119.9° | 120.0° |
| C18 | C6 | C5 | H6 | 120.2° | 120.0° |
| C18 | C6 | C5 | O1A | 73.2° | 99.8° |
| C18 | C6 | C5 | H5 | 48.2° | 140.2° |
| C18 | C6 | C7 | H6 | 120.2° | 120.0° |
| C18 | C6 | C7 | C8 | 56.9° | 94.6° |
| C18 | C6 | C7 | H71 | 173.2° | 145.4° |
| C18 | C6 | C7 | H72 | 63.1° | 25.4° |
| H181 | C18 | C19 | O19 | 162.9° | 7.3° |
| H181 | C18 | C19 | H19 | 17.1° | 172.7° |
| H181 | C18 | C6 | C5 | 57.2° | 61.3° |
| H181 | C18 | C6 | C7 | 61.8° | 58.8° |
| H181 | C18 | C6 | H6 | 178.2° | 178.8° |
| H182 | C18 | C19 | O19 | 40.8° | 112.7° |
| H182 | C18 | C19 | H19 | 139.3° | 67.3° |
| H182 | C18 | C6 | C5 | 179.4° | 178.7° |
| H182 | C18 | C6 | C7 | 60.4° | 61.2° |
| H182 | C18 | C6 | H6 | 59.6° | 58.8° |
| C2 | C1 | O1 | O15 | 179.3° | 180.0° |
| C1 | C2 | C3 | H21 | 117.0° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 119.9° |
| C1 | C2 | H21 | H22 | 118.2° | 120.0° |
| C1 | C2 | C3 | C4 | 155.1° | 149.8° |
| C1 | C2 | C3 | O3 | 85.6° | 90.3° |
| C1 | C2 | C3 | H3 | 37.4° | 29.8° |
| C2 | C1 | O15 | C15 | 177.5° | 179.9° |
| O1 | C1 | C2 | C3 | 47.1° | 58.4° |
| O1 | C1 | C2 | H21 | 164.1° | 178.4° |
| O1 | C1 | C2 | H22 | 72.9° | 61.6° |
| O1 | C1 | O15 | C15 | 1.8° | 0.1° |
| O15 | C1 | C2 | C3 | 133.6° | 121.6° |
| O15 | C1 | C2 | H21 | 16.6° | 1.6° |
| O15 | C1 | C2 | H22 | 106.5° | 118.4° |
| C1 | O15 | C15 | C14 | 107.7° | 142.8° |
| C1 | O15 | C15 | C16 | 116.6° | 97.2° |
| C1 | O15 | C15 | H15 | 0.2° | 22.8° |
| C3 | C2 | H21 | H22 | 118.2° | 120.1° |
| C2 | C3 | C4 | O3 | 117.5° | 119.9° |
| C2 | C3 | C4 | H3 | 119.5° | 120.1° |
| C2 | C3 | O3 | H3 | 119.5° | 120.1° |
| C2 | C3 | C4 | C5 | 175.2° | 145.3° |
| C2 | C3 | C4 | O4 | 66.0° | 94.7° |
| C2 | C3 | C4 | H4 | 53.8° | 25.4° |
| C2 | C3 | O3 | HO3 | 111.7° | 60.0° |
| H21 | C2 | C3 | C4 | 38.1° | 29.8° |
| H21 | C2 | C3 | O3 | 157.4° | 149.7° |
| H21 | C2 | C3 | H3 | 79.6° | 90.2° |
| H22 | C2 | C3 | C4 | 84.9° | 90.2° |
| H22 | C2 | C3 | O3 | 34.4° | 29.7° |
| H22 | C2 | C3 | H3 | 157.4° | 149.7° |
| C4 | C3 | O3 | H3 | 117.7° | 120.0° |
| C3 | C4 | C5 | O4 | 118.7° | 120.0° |
| C3 | C4 | C5 | H4 | 121.4° | 119.9° |
| C3 | C4 | O4 | H4 | 121.5° | 120.0° |
| C3 | C4 | C5 | C6 | 55.2° | 117.9° |
| C3 | C4 | C5 | O1A | 178.3° | 122.1° |
| C3 | C4 | C5 | H5 | 60.4° | 2.1° |
| C3 | C4 | O4 | C17 | 127.1° | 79.1° |
| C4 | C3 | O3 | HO3 | 125.4° | 180.0° |
| O3 | C3 | C4 | C5 | 67.4° | 94.8° |
| O3 | C3 | C4 | O4 | 51.5° | 25.3° |
| O3 | C3 | C4 | H4 | 171.3° | 145.3° |
| H3 | C3 | C4 | C5 | 55.6° | 25.2° |
| H3 | C3 | C4 | O4 | 174.5° | 145.2° |
| H3 | C3 | C4 | H4 | 65.7° | 94.7° |
| H3 | C3 | O3 | HO3 | 7.8° | 60.1° |
| C5 | C4 | O4 | H4 | 121.4° | 120.0° |
| C4 | C5 | C6 | O1A | 123.3° | 120.0° |
| C4 | C5 | C6 | H5 | 115.2° | 120.1° |
| C4 | C5 | O1A | H5 | 115.9° | 120.0° |
| C4 | C5 | C6 | C7 | 76.7° | 99.9° |
| C4 | C5 | C6 | H6 | 43.3° | 140.1° |
| C5 | C4 | O4 | C17 | 115.8° | 160.9° |
| C4 | C5 | O1A | C1A | 84.8° | 90.0° |
| O4 | C4 | C5 | C6 | 174.0° | 122.0° |
| O4 | C4 | C5 | O1A | 63.0° | 2.0° |
| O4 | C4 | C5 | H5 | 58.4° | 117.9° |
| C4 | O4 | C17 | H171 | 76.4° | 48.9° |
| C4 | O4 | C17 | H172 | 43.7° | 168.9° |
| C4 | O4 | C17 | H173 | 163.7° | 71.1° |
| H4 | C4 | C5 | C6 | 66.2° | 2.0° |
| H4 | C4 | C5 | O1A | 56.8° | 118.0° |
| H4 | C4 | C5 | H5 | 178.2° | 122.0° |
| H4 | C4 | O4 | C17 | 5.6° | 40.9° |
| C6 | C5 | O1A | H5 | 116.4° | 120.0° |
| C5 | C6 | C7 | H6 | 121.0° | 120.0° |
| C5 | C6 | C7 | C8 | 175.6° | 145.3° |
| C5 | C6 | C7 | H71 | 68.0° | 25.3° |
| C5 | C6 | C7 | H72 | 55.6° | 94.7° |
| C6 | C5 | O1A | C1A | 147.4° | 150.0° |
| O1A | C5 | C6 | C7 | 46.7° | 140.1° |
| O1A | C5 | C6 | H6 | 166.6° | 20.1° |
| C5 | O1A | C1A | C2A | 173.5° | 174.9° |
| C5 | O1A | C1A | O5A | 68.4° | 64.9° |
| C5 | O1A | C1A | H1A | 53.3° | 55.0° |
| H5 | C5 | C6 | C7 | 168.1° | 20.2° |
| H5 | C5 | C6 | H6 | 72.0° | 99.8° |
| H5 | C5 | O1A | C1A | 31.1° | 30.0° |
| C6 | C7 | C8 | H71 | 116.3° | 120.0° |
| C6 | C7 | C8 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H72 | 117.8° | 120.0° |
| C6 | C7 | C8 | C9 | 52.5° | 146.2° |
| C6 | C7 | C8 | C20 | 179.2° | 26.3° |
| C6 | C7 | C8 | H8 | 58.1° | 93.8° |
| H6 | C6 | C7 | C8 | 63.4° | 25.3° |
| H6 | C6 | C7 | H71 | 53.0° | 94.7° |
| H6 | C6 | C7 | H72 | 176.7° | 145.3° |
| C8 | C7 | H71 | H72 | 117.8° | 120.0° |
| C7 | C8 | C9 | C20 | 130.0° | 120.0° |
| C7 | C8 | C9 | H8 | 108.0° | 120.0° |
| C7 | C8 | C20 | H8 | 110.5° | 120.1° |
| C7 | C8 | C9 | C10 | 57.8° | 16.2° |
| C7 | C8 | C9 | O1C | 176.2° | 136.2° |
| C7 | C8 | C9 | H9 | 67.5° | 103.7° |
| C7 | C8 | C20 | H201 | 122.4° | 175.9° |
| C7 | C8 | C20 | H202 | 117.6° | 64.1° |
| C7 | C8 | C20 | H203 | 2.4° | 55.9° |
| H71 | C7 | C8 | C9 | 63.8° | 93.7° |
| H71 | C7 | C8 | C20 | 64.5° | 146.3° |
| H71 | C7 | C8 | H8 | 174.4° | 26.2° |
| H72 | C7 | C8 | C9 | 172.5° | 26.3° |
| H72 | C7 | C8 | C20 | 59.2° | 93.7° |
| H72 | C7 | C8 | H8 | 61.9° | 146.2° |
| C9 | C8 | C20 | H8 | 113.9° | 120.0° |
| C8 | C9 | C10 | O1C | 136.3° | 120.0° |
| C8 | C9 | C10 | H9 | 111.3° | 119.9° |
| C8 | C9 | O1C | H9 | 107.8° | 120.1° |
| C8 | C9 | C10 | C11 | 129.0° | 88.4° |
| C8 | C9 | C10 | H10 | 51.0° | 91.5° |
| C9 | C8 | C20 | H201 | 102.0° | 56.0° |
| C9 | C8 | C20 | H202 | 18.0° | 175.9° |
| C9 | C8 | C20 | H203 | 138.0° | 64.1° |
| C8 | C9 | O1C | C1C | 94.6° | 150.1° |
| C20 | C8 | C9 | C10 | 72.2° | 103.8° |
| C20 | C8 | C9 | O1C | 53.7° | 16.2° |
| C20 | C8 | C9 | H9 | 162.4° | 136.3° |
| C8 | C20 | H201 | H202 | 120.0° | 120.0° |
| C8 | C20 | H201 | H203 | 120.0° | 120.0° |
| C8 | C20 | H202 | H203 | 120.0° | 120.0° |
| H8 | C8 | C9 | C10 | 165.8° | 136.2° |
| H8 | C8 | C9 | O1C | 68.2° | 103.9° |
| H8 | C8 | C9 | H9 | 40.5° | 16.2° |
| H8 | C8 | C20 | H201 | 11.9° | 64.0° |
| H8 | C8 | C20 | H202 | 131.9° | 56.0° |
| H8 | C8 | C20 | H203 | 108.1° | 176.0° |
| C10 | C9 | O1C | H9 | 125.6° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 173.5° | 179.8° |
| C9 | C10 | C11 | H11 | 6.5° | 0.3° |
| C10 | C9 | O1C | C1C | 138.8° | 90.0° |
| O1C | C9 | C10 | C11 | 94.7° | 151.6° |
| O1C | C9 | C10 | H10 | 85.3° | 28.5° |
| C9 | O1C | C1C | C2C | 82.0° | 174.9° |
| C9 | O1C | C1C | O5C | 159.2° | 64.8° |
| C9 | O1C | C1C | H1C1 | 35.7° | 55.0° |
| H9 | C9 | C10 | C11 | 17.7° | 31.5° |
| H9 | C9 | C10 | H10 | 162.3° | 148.5° |
| H9 | C9 | O1C | C1C | 13.2° | 30.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 178.7° | 177.9° |
| C10 | C11 | C12 | H12 | 1.3° | 2.2° |
| H10 | C10 | C11 | C12 | 6.5° | 0.1° |
| H10 | C10 | C11 | H11 | 173.5° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 178.3° | 179.9° |
| C11 | C12 | C13 | H13 | 1.7° | 0.1° |
| H11 | C11 | C12 | C13 | 1.4° | 2.2° |
| H11 | C11 | C12 | H12 | 178.7° | 177.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 108.0° | 101.4° |
| C12 | C13 | C14 | H141 | 14.3° | 18.6° |
| C12 | C13 | C14 | H142 | 132.0° | 138.6° |
| H12 | C12 | C13 | C14 | 1.7° | 0.2° |
| H12 | C12 | C13 | H13 | 178.3° | 179.8° |
| C13 | C14 | C15 | H141 | 122.4° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 121.8° | 120.0° |
| C13 | C14 | C15 | C16 | 173.9° | 172.8° |
| C13 | C14 | C15 | O15 | 48.9° | 52.8° |
| C13 | C14 | C15 | H15 | 73.7° | 67.2° |
| H13 | C13 | C14 | C15 | 72.0° | 78.6° |
| H13 | C13 | C14 | H141 | 165.7° | 161.4° |
| H13 | C13 | C14 | H142 | 48.0° | 41.4° |
| C15 | C14 | H141 | H142 | 121.8° | 120.1° |
| C14 | C15 | C16 | O15 | 129.9° | 120.0° |
| C14 | C15 | C16 | H15 | 105.4° | 120.0° |
| C14 | C15 | O15 | H15 | 107.5° | 120.0° |
| C14 | C15 | C16 | H161 | 23.2° | 180.0° |
| C14 | C15 | C16 | H162 | 96.8° | 60.0° |
| C14 | C15 | C16 | H163 | 143.2° | 60.0° |
| H141 | C14 | C15 | C16 | 51.5° | 52.8° |
| H141 | C14 | C15 | O15 | 73.5° | 67.2° |
| H141 | C14 | C15 | H15 | 163.9° | 172.8° |
| H142 | C14 | C15 | C16 | 66.1° | 67.2° |
| H142 | C14 | C15 | O15 | 168.9° | 172.8° |
| H142 | C14 | C15 | H15 | 46.3° | 52.7° |
| C16 | C15 | O15 | H15 | 116.8° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.1° | 120.0° |
| O15 | C15 | C16 | H161 | 106.7° | 60.0° |
| O15 | C15 | C16 | H162 | 133.3° | 180.0° |
| O15 | C15 | C16 | H163 | 13.2° | 60.0° |
| H15 | C15 | C16 | H161 | 128.6° | 60.1° |
| H15 | C15 | C16 | H162 | 8.6° | 59.9° |
| H15 | C15 | C16 | H163 | 111.5° | 180.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| O4 | C17 | H171 | H172 | 120.0° | 120.0° |
| O4 | C17 | H171 | H173 | 120.0° | 120.0° |
| O4 | C17 | H172 | H173 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C2A | C1A | O1A | O5A | 118.1° | 120.3° |
| C2A | C1A | O1A | H1A | 120.2° | 119.9° |
| C2A | C1A | O5A | H1A | 120.1° | 120.1° |
| C1A | C2A | C3A | O2A | 111.8° | 119.9° |
| C1A | C2A | C3A | H2A | 126.2° | 119.9° |
| C1A | C2A | O2A | H2A | 126.0° | 120.3° |
| C1A | C2A | C3A | C4A | 69.0° | 53.8° |
| C1A | C2A | C3A | N3A | 178.8° | 173.6° |
| C1A | C2A | C3A | H3A | 56.6° | 66.0° |
| C2A | C1A | O5A | C5A | 59.5° | 67.6° |
| C1A | C2A | O2A | HO2A | 121.9° | 60.5° |
| O1A | C1A | O5A | H1A | 118.7° | 119.9° |
| O1A | C1A | C2A | C3A | 176.6° | 178.6° |
| O1A | C1A | C2A | O2A | 64.6° | 58.7° |
| O1A | C1A | C2A | H2A | 56.4° | 61.5° |
| O1A | C1A | O5A | C5A | 179.3° | 172.3° |
| O5A | C1A | C2A | C3A | 57.0° | 61.3° |
| O5A | C1A | C2A | O2A | 175.9° | 178.8° |
| O5A | C1A | C2A | H2A | 63.2° | 58.5° |
| C1A | O5A | C5A | C4A | 67.9° | 67.6° |
| C1A | O5A | C5A | C6A | 175.6° | 172.4° |
| C1A | O5A | C5A | H5A | 49.6° | 52.5° |
| H1A | C1A | C2A | C3A | 64.7° | 58.7° |
| H1A | C1A | C2A | O2A | 54.1° | 61.2° |
| H1A | C1A | C2A | H2A | 175.1° | 178.6° |
| H1A | C1A | O5A | C5A | 60.7° | 52.4° |
| C3A | C2A | O2A | H2A | 121.0° | 120.2° |
| C2A | C3A | C4A | N3A | 118.8° | 119.9° |
| C2A | C3A | C4A | H3A | 117.8° | 119.8° |
| C2A | C3A | N3A | H3A | 118.0° | 120.5° |
| C2A | C3A | C4A | C5A | 63.7° | 53.7° |
| C2A | C3A | C4A | O4A | 176.5° | 173.7° |
| C2A | C3A | C4A | H4A | 58.3° | 66.1° |
| C2A | C3A | N3A | C7A | 128.0° | 73.2° |
| C2A | C3A | N3A | C8A | 41.5° | 40.5° |
| C3A | C2A | O2A | HO2A | 8.9° | 180.0° |
| O2A | C2A | C3A | C4A | 179.2° | 173.7° |
| O2A | C2A | C3A | N3A | 69.4° | 66.6° |
| O2A | C2A | C3A | H3A | 55.2° | 53.9° |
| H2A | C2A | C3A | C4A | 57.2° | 66.1° |
| H2A | C2A | C3A | N3A | 52.6° | 53.7° |
| H2A | C2A | C3A | H3A | 177.2° | 174.1° |
| H2A | C2A | O2A | HO2A | 112.1° | 59.8° |
| C4A | C3A | N3A | H3A | 124.6° | 120.3° |
| C3A | C4A | C5A | O4A | 110.5° | 120.0° |
| C3A | C4A | C5A | H4A | 129.4° | 119.8° |
| C3A | C4A | O4A | H4A | 131.1° | 120.2° |
| C3A | C4A | C5A | C6A | 179.5° | 178.7° |
| C3A | C4A | C5A | O5A | 65.2° | 61.2° |
| C3A | C4A | C5A | H5A | 54.4° | 58.9° |
| C4A | C3A | N3A | C7A | 114.6° | 167.6° |
| C4A | C3A | N3A | C8A | 158.9° | 78.7° |
| C3A | C4A | O4A | C1B | 158.4° | 124.9° |
| N3A | C3A | C4A | C5A | 177.6° | 173.6° |
| N3A | C3A | C4A | O4A | 57.8° | 66.4° |
| N3A | C3A | C4A | H4A | 60.5° | 53.8° |
| C3A | N3A | C7A | C8A | 109.1° | 113.8° |
| C3A | N3A | C7A | H7A1 | 152.7° | 169.5° |
| C3A | N3A | C7A | H7A2 | 87.2° | 49.5° |
| C3A | N3A | C7A | H7A3 | 32.8° | 70.5° |
| C3A | N3A | C8A | H8A1 | 132.1° | 51.9° |
| C3A | N3A | C8A | H8A2 | 12.1° | 171.9° |
| C3A | N3A | C8A | H8A3 | 107.9° | 68.1° |
| H3A | C3A | C4A | C5A | 54.2° | 66.1° |
| H3A | C3A | C4A | O4A | 65.6° | 53.9° |
| H3A | C3A | C4A | H4A | 176.1° | 174.1° |
| H3A | C3A | N3A | C7A | 10.0° | 47.3° |
| H3A | C3A | N3A | C8A | 76.5° | 161.0° |
| C5A | C4A | O4A | H4A | 125.6° | 120.2° |
| C4A | C5A | C6A | O5A | 123.6° | 120.3° |
| C4A | C5A | C6A | H5A | 117.2° | 119.8° |
| C4A | C5A | O5A | H5A | 117.6° | 120.1° |
| C4A | C5A | C6A | H6A1 | 12.1° | 173.6° |
| C4A | C5A | C6A | H6A2 | 107.9° | 66.4° |
| C4A | C5A | C6A | H6A3 | 132.1° | 53.6° |
| C5A | C4A | O4A | C1B | 98.2° | 115.5° |
| O4A | C4A | C5A | C6A | 70.0° | 58.7° |
| O4A | C4A | C5A | O5A | 175.7° | 178.8° |
| O4A | C4A | C5A | H5A | 56.1° | 61.1° |
| C4A | O4A | C1B | C2B | 99.5° | 161.6° |
| C4A | O4A | C1B | O5B | 131.7° | 78.2° |
| C4A | O4A | C1B | H1B | 12.4° | 41.7° |
| H4A | C4A | C5A | C6A | 50.1° | 61.5° |
| H4A | C4A | C5A | O5A | 64.2° | 58.6° |
| H4A | C4A | C5A | H5A | 176.1° | 178.7° |
| H4A | C4A | O4A | C1B | 27.4° | 4.7° |
| C6A | C5A | O5A | H5A | 125.9° | 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 | 111.6° | 53.3° |
| O5A | C5A | C6A | H6A2 | 128.4° | 173.3° |
| O5A | C5A | C6A | H6A3 | 8.4° | 66.7° |
| H5A | C5A | C6A | H6A1 | 129.3° | 66.6° |
| H5A | C5A | C6A | H6A2 | 9.3° | 53.4° |
| H5A | C5A | C6A | H6A3 | 110.7° | 173.4° |
| H6A1 | C6A | H6A2 | H6A3 | 120.0° | 120.0° |
| N3A | C7A | H7A1 | H7A2 | 120.0° | 120.1° |
| N3A | C7A | H7A1 | H7A3 | 120.0° | 120.0° |
| N3A | C7A | H7A2 | H7A3 | 120.0° | 120.0° |
| C7A | N3A | C8A | H8A1 | 126.8° | 165.6° |
| C7A | N3A | C8A | H8A2 | 113.2° | 74.4° |
| C7A | N3A | C8A | H8A3 | 6.8° | 45.6° |
| H7A1 | C7A | H7A2 | H7A3 | 120.0° | 120.0° |
| H7A1 | C7A | N3A | C8A | 98.2° | 76.7° |
| H7A2 | C7A | N3A | C8A | 21.8° | 163.3° |
| H7A3 | C7A | N3A | C8A | 141.9° | 43.3° |
| N3A | C8A | H8A1 | H8A2 | 120.0° | 120.0° |
| N3A | C8A | H8A1 | H8A3 | 120.0° | 120.0° |
| N3A | C8A | H8A2 | H8A3 | 120.1° | 120.0° |
| H8A1 | C8A | H8A2 | H8A3 | 119.9° | 120.0° |
| O4A | C1B | C2B | O5B | 121.7° | 120.0° |
| O4A | C1B | C2B | H1B | 120.5° | 119.9° |
| O4A | C1B | O5B | H1B | 121.6° | 119.9° |
| O4A | C1B | C2B | C3B | 73.5° | 58.9° |
| O4A | C1B | C2B | H2B1 | 45.6° | 178.7° |
| O4A | C1B | C2B | H2B2 | 166.5° | 61.0° |
| O4A | C1B | O5B | C5B | 77.6° | 52.4° |
| C2B | C1B | O5B | H1B | 111.6° | 120.1° |
| C1B | C2B | C3B | H2B1 | 119.1° | 119.8° |
| C1B | C2B | C3B | H2B2 | 120.0° | 119.9° |
| C1B | C2B | H2B1 | H2B2 | 119.4° | 120.3° |
| C1B | C2B | C3B | C4B | 49.6° | 53.7° |
| C1B | C2B | C3B | C7B | 175.4° | 173.5° |
| C1B | C2B | C3B | O3B | 69.3° | 66.3° |
| C2B | C1B | O5B | C5B | 49.3° | 67.6° |
| O5B | C1B | C2B | C3B | 48.2° | 61.1° |
| O5B | C1B | C2B | H2B1 | 167.3° | 58.7° |
| O5B | C1B | C2B | H2B2 | 71.7° | 179.0° |
| C1B | O5B | C5B | C4B | 52.7° | 67.6° |
| C1B | O5B | C5B | C6B | 177.9° | 172.3° |
| C1B | O5B | C5B | H5B | 63.5° | 52.5° |
| H1B | C1B | C2B | C3B | 166.0° | 178.7° |
| H1B | C1B | C2B | H2B1 | 74.9° | 61.5° |
| H1B | C1B | C2B | H2B2 | 46.0° | 58.8° |
| H1B | C1B | O5B | C5B | 160.9° | 172.3° |
| C3B | C2B | H2B1 | H2B2 | 119.4° | 120.2° |
| C2B | C3B | C4B | C7B | 124.5° | 119.8° |
| C2B | C3B | C4B | O3B | 115.3° | 119.8° |
| C2B | C3B | C7B | O3B | 114.4° | 120.3° |
| C2B | C3B | C4B | C5B | 55.1° | 53.7° |
| C2B | C3B | C4B | O4B | 177.7° | 173.6° |
| C2B | C3B | C4B | H4B | 63.7° | 66.1° |
| C2B | C3B | C7B | H7B1 | 120.7° | 59.9° |
| C2B | C3B | C7B | H7B2 | 119.3° | 180.0° |
| C2B | C3B | C7B | H7B3 | 0.7° | 60.1° |
| C2B | C3B | O3B | HO3B | 153.0° | 60.0° |
| H2B1 | C2B | C3B | C4B | 168.7° | 66.1° |
| H2B1 | C2B | C3B | C7B | 65.5° | 53.7° |
| H2B1 | C2B | C3B | O3B | 49.8° | 173.9° |
| H2B2 | C2B | C3B | C4B | 70.4° | 173.6° |
| H2B2 | C2B | C3B | C7B | 55.4° | 66.6° |
| H2B2 | C2B | C3B | O3B | 170.7° | 53.7° |
| C4B | C3B | C7B | O3B | 122.6° | 120.5° |
| C3B | C4B | C5B | O4B | 123.3° | 119.9° |
| C3B | C4B | C5B | H4B | 118.1° | 119.8° |
| C3B | C4B | O4B | H4B | 118.1° | 120.2° |
| C3B | C4B | C5B | C6B | 179.6° | 178.7° |
| C3B | C4B | C5B | O5B | 56.9° | 61.2° |
| C3B | C4B | C5B | H5B | 62.1° | 58.8° |
| C4B | C3B | C7B | H7B1 | 2.3° | 179.2° |
| C4B | C3B | C7B | H7B2 | 117.7° | 60.8° |
| C4B | C3B | C7B | H7B3 | 122.3° | 59.2° |
| C4B | C3B | O3B | HO3B | 35.6° | 179.3° |
| C3B | C4B | O4B | HO4B | 37.4° | 180.0° |
| C7B | C3B | C4B | C5B | 179.6° | 173.5° |
| C7B | C3B | C4B | O4B | 57.8° | 66.6° |
| C7B | C3B | C4B | H4B | 60.8° | 53.7° |
| C3B | C7B | H7B1 | H7B2 | 120.0° | 120.0° |
| C3B | C7B | H7B1 | H7B3 | 120.0° | 120.0° |
| C3B | C7B | H7B2 | H7B3 | 120.0° | 120.0° |
| C7B | C3B | O3B | HO3B | 88.6° | 60.3° |
| O3B | C3B | C4B | C5B | 60.2° | 66.1° |
| O3B | C3B | C4B | O4B | 62.5° | 53.8° |
| O3B | C3B | C4B | H4B | 179.0° | 174.1° |
| O3B | C3B | C7B | H7B1 | 124.9° | 60.3° |
| O3B | C3B | C7B | H7B2 | 4.9° | 59.7° |
| O3B | C3B | C7B | H7B3 | 115.1° | 179.7° |
| C5B | C4B | O4B | H4B | 118.8° | 120.2° |
| C4B | C5B | C6B | O5B | 124.6° | 120.3° |
| C4B | C5B | C6B | H5B | 116.2° | 119.9° |
| C4B | C5B | O5B | H5B | 116.2° | 120.1° |
| C4B | C5B | C6B | H6B1 | 68.7° | 60.0° |
| C4B | C5B | C6B | H6B2 | 171.3° | 180.0° |
| C4B | C5B | C6B | H6B3 | 51.3° | 60.0° |
| C5B | C4B | O4B | HO4B | 160.5° | 60.4° |
| O4B | C4B | C5B | C6B | 57.1° | 58.8° |
| O4B | C4B | C5B | O5B | 179.8° | 178.8° |
| O4B | C4B | C5B | H5B | 61.2° | 61.1° |
| H4B | C4B | C5B | C6B | 61.5° | 61.4° |
| H4B | C4B | C5B | O5B | 61.1° | 58.6° |
| H4B | C4B | C5B | H5B | 179.8° | 178.6° |
| H4B | C4B | O4B | HO4B | 80.6° | 59.8° |
| C6B | C5B | O5B | H5B | 118.6° | 119.9° |
| C5B | C6B | H6B1 | H6B2 | 120.0° | 119.9° |
| C5B | C6B | H6B1 | H6B3 | 120.0° | 120.0° |
| C5B | C6B | H6B2 | H6B3 | 120.0° | 120.0° |
| O5B | C5B | C6B | H6B1 | 55.9° | 179.7° |
| O5B | C5B | C6B | H6B2 | 64.1° | 59.7° |
| O5B | C5B | C6B | H6B3 | 175.8° | 60.3° |
| H5B | C5B | C6B | H6B1 | 175.2° | 59.9° |
| H5B | C5B | C6B | H6B2 | 55.1° | 60.1° |
| H5B | C5B | C6B | H6B3 | 64.9° | 179.9° |
| H6B1 | C6B | H6B2 | H6B3 | 120.0° | 120.1° |
| H7B1 | C7B | H7B2 | H7B3 | 120.0° | 120.0° |
| C2C | C1C | O1C | O5C | 118.8° | 120.3° |
| C2C | C1C | O1C | H1C1 | 117.7° | 119.9° |
| C2C | C1C | O5C | H1C1 | 119.0° | 120.1° |
| C1C | C2C | C3C | H2C1 | 121.4° | 119.9° |
| C1C | C2C | C3C | H2C2 | 120.0° | 119.9° |
| C1C | C2C | H2C1 | H2C2 | 121.0° | 120.3° |
| C1C | C2C | C3C | C4C | 49.5° | 53.7° |
| C1C | C2C | C3C | H3C1 | 170.1° | 66.0° |
| C1C | C2C | C3C | H3C2 | 70.5° | 173.5° |
| C2C | C1C | O5C | C5C | 70.1° | 67.7° |
| O1C | C1C | O5C | H1C1 | 128.6° | 119.9° |
| O1C | C1C | C2C | C3C | 174.6° | 178.7° |
| O1C | C1C | C2C | H2C1 | 53.2° | 58.8° |
| O1C | C1C | C2C | H2C2 | 65.4° | 61.5° |
| O1C | C1C | O5C | C5C | 177.4° | 172.3° |
| O5C | C1C | C2C | C3C | 73.6° | 61.3° |
| O5C | C1C | C2C | H2C1 | 47.8° | 178.9° |
| O5C | C1C | C2C | H2C2 | 166.4° | 58.6° |
| C1C | O5C | C5C | C4C | 49.1° | 67.6° |
| C1C | O5C | C5C | C6C | 179.7° | 172.3° |
| C1C | O5C | C5C | H5C | 62.6° | 52.4° |
| H1C1 | C1C | C2C | C3C | 54.1° | 58.8° |
| H1C1 | C1C | C2C | H2C1 | 175.5° | 61.1° |
| H1C1 | C1C | C2C | H2C2 | 65.9° | 178.6° |
| H1C1 | C1C | O5C | C5C | 48.9° | 52.4° |
| C3C | C2C | H2C1 | H2C2 | 120.9° | 120.1° |
| C2C | C3C | C4C | H3C1 | 120.7° | 119.8° |
| C2C | C3C | C4C | H3C2 | 120.0° | 119.8° |
| C2C | C3C | H3C1 | H3C2 | 120.4° | 120.4° |
| C2C | C3C | C4C | C5C | 40.7° | 53.7° |
| C2C | C3C | C4C | N4C | 178.4° | 173.6° |
| C2C | C3C | C4C | H4C | 72.8° | 66.1° |
| H2C1 | C2C | C3C | C4C | 71.9° | 173.6° |
| H2C1 | C2C | C3C | H3C1 | 48.7° | 53.9° |
| H2C1 | C2C | C3C | H3C2 | 168.1° | 66.6° |
| H2C2 | C2C | C3C | C4C | 169.5° | 66.2° |
| H2C2 | C2C | C3C | H3C1 | 69.8° | 174.1° |
| H2C2 | C2C | C3C | H3C2 | 49.5° | 53.6° |
| C4C | C3C | H3C1 | H3C2 | 120.4° | 120.4° |
| C3C | C4C | C5C | N4C | 142.7° | 119.9° |
| C3C | C4C | C5C | H4C | 102.7° | 119.8° |
| C3C | C4C | N4C | H4C | 101.1° | 120.2° |
| C3C | C4C | C5C | C6C | 163.1° | 178.7° |
| C3C | C4C | C5C | O5C | 39.1° | 61.2° |
| C3C | C4C | C5C | H5C | 81.8° | 58.9° |
| C3C | C4C | N4C | C7C | 161.2° | 50.1° |
| C3C | C4C | N4C | C8C | 26.2° | 63.7° |
| H3C1 | C3C | C4C | C5C | 161.4° | 66.1° |
| H3C1 | C3C | C4C | N4C | 60.9° | 53.9° |
| H3C1 | C3C | C4C | H4C | 47.8° | 174.1° |
| H3C2 | C3C | C4C | C5C | 79.3° | 173.5° |
| H3C2 | C3C | C4C | N4C | 58.5° | 66.6° |
| H3C2 | C3C | C4C | H4C | 167.2° | 53.7° |
| C5C | C4C | N4C | H4C | 117.7° | 120.2° |
| C4C | C5C | C6C | O5C | 127.4° | 120.3° |
| C4C | C5C | C6C | H5C | 110.8° | 119.8° |
| C4C | C5C | O5C | H5C | 111.8° | 120.1° |
| C4C | C5C | C6C | H6C1 | 42.5° | 54.9° |
| C4C | C5C | C6C | H6C2 | 77.6° | 175.0° |
| C4C | C5C | C6C | H6C3 | 162.5° | 65.1° |
| C5C | C4C | N4C | C7C | 20.0° | 69.5° |
| C5C | C4C | N4C | C8C | 115.0° | 176.7° |
| N4C | C4C | C5C | C6C | 54.2° | 58.8° |
| N4C | C4C | C5C | O5C | 178.3° | 178.8° |
| N4C | C4C | C5C | H5C | 60.9° | 61.1° |
| C4C | N4C | C7C | C8C | 135.9° | 113.8° |
| C4C | N4C | C7C | H7C1 | 99.2° | 172.0° |
| C4C | N4C | C7C | H7C2 | 140.8° | 52.1° |
| C4C | N4C | C7C | H7C3 | 20.8° | 67.9° |
| C4C | N4C | C8C | H8C1 | 76.2° | 62.8° |
| C4C | N4C | C8C | H8C2 | 43.8° | 177.1° |
| C4C | N4C | C8C | H8C3 | 163.8° | 57.1° |
| H4C | C4C | C5C | C6C | 60.4° | 61.4° |
| H4C | C4C | C5C | O5C | 63.7° | 58.6° |
| H4C | C4C | C5C | H5C | 175.5° | 178.7° |
| H4C | C4C | N4C | C7C | 97.7° | 170.3° |
| H4C | C4C | N4C | C8C | 127.3° | 56.5° |
| C6C | C5C | O5C | H5C | 117.1° | 119.9° |
| C5C | C6C | H6C1 | H6C2 | 120.0° | 120.1° |
| C5C | C6C | H6C1 | H6C3 | 120.0° | 120.0° |
| C5C | C6C | H6C2 | H6C3 | 120.0° | 120.0° |
| O5C | C5C | C6C | H6C1 | 84.9° | 65.4° |
| O5C | C5C | C6C | H6C2 | 155.0° | 54.7° |
| O5C | C5C | C6C | H6C3 | 35.1° | 174.7° |
| H5C | C5C | C6C | H6C1 | 153.3° | 174.8° |
| H5C | C5C | C6C | H6C2 | 33.2° | 65.2° |
| H5C | C5C | C6C | H6C3 | 86.7° | 54.8° |
| H6C1 | C6C | H6C2 | H6C3 | 120.0° | 119.9° |
| N4C | C7C | H7C1 | H7C2 | 120.0° | 120.0° |
| N4C | C7C | H7C1 | H7C3 | 120.0° | 120.1° |
| N4C | C7C | H7C2 | H7C3 | 120.0° | 120.0° |
| C7C | N4C | C8C | H8C1 | 134.9° | 176.6° |
| C7C | N4C | C8C | H8C2 | 105.1° | 63.4° |
| C7C | N4C | C8C | H8C3 | 14.9° | 56.6° |
| H7C1 | C7C | H7C2 | H7C3 | 120.0° | 120.0° |
| H7C1 | C7C | N4C | C8C | 124.9° | 74.2° |
| H7C2 | C7C | N4C | C8C | 4.9° | 165.9° |
| H7C3 | C7C | N4C | C8C | 115.1° | 45.9° |
| N4C | C8C | H8C1 | H8C2 | 120.0° | 120.0° |
| N4C | C8C | H8C1 | H8C3 | 120.0° | 120.0° |
| N4C | C8C | H8C2 | H8C3 | 120.0° | 120.0° |
| H8C1 | C8C | H8C2 | H8C3 | 119.9° | 120.0° |
