Obsolete: NT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.61Å | |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | O12 | sing | 1.43Å | 1.49Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| O12 | C1C | sing | 1.43Å | 1.49Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| O14 | C15 | sing | 1.42Å | 54.35Å | |
| C15 | H151 | sing | 1.09Å | 0.00Å | |
| C15 | H152 | sing | 1.09Å | 0.00Å | |
| C15 | H153 | sing | 1.09Å | 0.00Å | |
| C16 | O17 | sing | 1.43Å | 1.40Å | |
| C16 | C19 | sing | 1.54Å | 1.59Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| O17 | C18 | sing | 1.42Å | 1.62Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | O1A | sing | 1.43Å | 1.38Å | |
| C19 | C1C | sing | 1.53Å | 1.55Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| O1A | C1B | sing | 1.42Å | 1.55Å | |
| C1B | H1B1 | sing | 1.09Å | 1.10Å | |
| C1B | H1B2 | sing | 1.09Å | 1.10Å | |
| C1B | H1B3 | sing | 1.09Å | 1.10Å | |
| C1C | O1D | sing | 1.43Å | 1.53Å | |
| C1C | H1C | sing | 1.10Å | 1.10Å | |
| O1D | C20 | sing | 1.43Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.68Å | |
| C20 | C26 | sing | 1.54Å | 1.58Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C21 | O22 | sing | 1.43Å | 1.49Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| O22 | C2C | sing | 1.43Å | 1.57Å | |
| C23 | O24 | sing | 1.43Å | 54.04Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C26 | O27 | sing | 1.44Å | 1.46Å | |
| C26 | C29 | sing | 1.54Å | 1.73Å | |
| C26 | H26 | sing | 1.10Å | 1.10Å | |
| O27 | C28 | sing | 1.42Å | 1.67Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | O2A | sing | 1.43Å | 1.44Å | |
| C29 | C2C | sing | 1.53Å | 1.61Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| O2A | C2B | sing | 1.42Å | 1.63Å | |
| C2B | H2B1 | sing | 1.09Å | 1.10Å | |
| C2B | H2B2 | sing | 1.09Å | 1.10Å | |
| C2B | H2B3 | sing | 1.09Å | 1.10Å | |
| C2C | O30 | sing | 1.43Å | 1.41Å | |
| C2C | H2C | sing | 1.10Å | 1.10Å | |
| O24 | C25 | sing | 1.42Å | 0.00Å | |
| C25 | H251 | sing | 1.09Å | 0.00Å | |
| C25 | H252 | sing | 1.09Å | 0.00Å | |
| C25 | H253 | sing | 1.09Å | 0.00Å | |
| O30 | C32 | sing | 1.43Å | 1.60Å | |
| C32 | C33 | sing | 1.54Å | 1.58Å | |
| C32 | C3B | sing | 1.54Å | 1.64Å | |
| C32 | H32 | sing | 1.10Å | 1.10Å | |
| C33 | O34 | sing | 1.43Å | 1.49Å | |
| C33 | C35 | sing | 1.53Å | 1.51Å | |
| C33 | H33 | sing | 1.10Å | 1.10Å | |
| O34 | C3H | sing | 1.43Å | 1.44Å | |
| C35 | O36 | sing | 1.42Å | 1.40Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| O36 | S37 | sing | 1.64Å | 1.54Å | |
| S37 | O38 | sing | 1.63Å | 1.42Å | |
| S37 | O39 | doub | 1.45Å | 1.43Å | |
| S37 | O3A | doub | 1.45Å | 1.38Å | |
| O38 | H38 | sing | 0.99Å | 0.95Å | |
| C3B | O3C | sing | 1.44Å | 1.46Å | |
| C3B | C3E | sing | 1.54Å | 1.67Å | |
| C3B | H3B | sing | 1.10Å | 1.10Å | |
| O3C | C3D | sing | 1.42Å | 1.45Å | |
| C3D | H3D1 | sing | 1.09Å | 1.10Å | |
| C3D | H3D2 | sing | 1.09Å | 1.10Å | |
| C3D | H3D3 | sing | 1.09Å | 1.10Å | |
| C3E | O3F | sing | 1.43Å | 1.45Å | |
| C3E | C3H | sing | 1.53Å | 1.58Å | |
| C3E | H3E | sing | 1.10Å | 1.10Å | |
| O3F | C3G | sing | 1.42Å | 1.65Å | |
| C3G | H3G1 | sing | 1.09Å | 1.10Å | |
| C3G | H3G2 | sing | 1.09Å | 1.10Å | |
| C3G | H3G3 | sing | 1.09Å | 1.10Å | |
| C3H | O3I | sing | 1.43Å | 1.49Å | |
| C3H | H3H | sing | 1.10Å | 1.10Å | |
| O3I | C40 | sing | 1.44Å | 1.50Å | |
| C40 | C41 | sing | 1.55Å | 1.66Å | |
| C40 | C46 | sing | 1.54Å | 1.67Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | O42 | sing | 1.44Å | 1.44Å | |
| C41 | C43 | sing | 1.54Å | 1.60Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| O42 | C4C | sing | 1.43Å | 1.42Å | |
| C43 | O44 | sing | 1.42Å | 1.29Å | |
| C43 | O45 | sing | 1.42Å | 1.30Å | |
| C43 | H43 | sing | 1.10Å | 1.10Å | |
| O44 | H44 | sing | 0.97Å | 0.95Å | |
| O45 | H45 | sing | 0.97Å | 0.95Å | |
| C46 | O47 | sing | 1.43Å | 1.51Å | |
| C46 | C49 | sing | 1.55Å | 1.60Å | |
| C46 | H46 | sing | 1.10Å | 1.10Å | |
| O47 | C48 | sing | 1.42Å | 1.49Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C49 | O4A | sing | 1.43Å | 1.41Å | |
| C49 | C4C | sing | 1.54Å | 1.57Å | |
| C49 | H49 | sing | 1.10Å | 1.10Å | |
| O4A | C4B | sing | 1.42Å | 1.45Å | |
| C4B | H4B1 | sing | 1.09Å | 1.10Å | |
| C4B | H4B2 | sing | 1.09Å | 1.10Å | |
| C4B | H4B3 | sing | 1.09Å | 1.10Å | |
| C4C | O4D | sing | 1.43Å | 1.38Å | |
| C4C | H4C | sing | 1.10Å | 1.10Å | |
| O4D | C50 | sing | 1.43Å | 1.43Å | |
| C50 | C51 | sing | 1.54Å | 1.61Å | |
| C50 | C59 | sing | 1.54Å | 1.53Å | |
| C50 | H50 | sing | 1.10Å | 1.10Å | |
| C51 | O52 | sing | 1.43Å | 1.49Å | |
| C51 | C53 | sing | 1.53Å | 1.55Å | |
| C51 | H51 | sing | 1.10Å | 1.10Å | |
| O52 | C5L | sing | 1.43Å | 1.48Å | |
| C53 | O54 | sing | 1.43Å | 1.42Å | |
| C53 | H531 | sing | 1.10Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| O54 | S55 | sing | 1.63Å | 1.58Å | |
| S55 | O56 | sing | 1.63Å | 1.43Å | |
| S55 | O57 | doub | 1.45Å | 1.51Å | |
| S55 | O58 | doub | 1.45Å | 1.41Å | |
| O56 | H56 | sing | 0.99Å | 0.95Å | |
| C59 | O5A | sing | 1.43Å | 1.41Å | |
| C59 | C5F | sing | 1.53Å | 1.60Å | |
| C59 | H59 | sing | 1.10Å | 1.10Å | |
| O5A | S5B | sing | 1.64Å | 1.62Å | |
| S5B | O5C | sing | 1.63Å | 1.43Å | |
| S5B | O5D | doub | 1.45Å | 1.33Å | |
| S5B | O5E | doub | 1.45Å | 1.46Å | |
| O5C | H5C | sing | 0.99Å | 0.95Å | |
| C5F | O5G | sing | 1.43Å | 1.38Å | |
| C5F | C5L | sing | 1.53Å | 1.53Å | |
| C5F | H5F | sing | 1.10Å | 1.10Å | |
| O5G | S5H | sing | 1.63Å | 1.55Å | |
| S5H | O5I | sing | 1.63Å | 1.43Å | |
| S5H | O5J | doub | 1.45Å | 1.38Å | |
| S5H | O5K | doub | 1.45Å | 1.48Å | |
| O5I | H5I | sing | 0.99Å | 0.95Å | |
| C5L | O5M | sing | 1.43Å | 1.47Å | |
| C5L | H5L | sing | 1.10Å | 1.10Å | |
| O5M | C60 | sing | 1.43Å | 1.44Å | |
| C60 | C61 | sing | 1.54Å | 1.62Å | |
| C60 | C66 | sing | 1.54Å | 1.61Å | |
| C60 | H60 | sing | 1.10Å | 1.10Å | |
| C61 | O62 | sing | 1.43Å | 1.44Å | |
| C61 | C63 | sing | 1.54Å | 1.55Å | |
| C61 | H61 | sing | 1.10Å | 1.10Å | |
| O62 | C6C | sing | 1.42Å | 1.46Å | |
| C63 | O64 | sing | 1.43Å | 1.26Å | |
| C63 | O65 | sing | 1.42Å | 1.28Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| O64 | H64 | sing | 0.97Å | 0.95Å | |
| O65 | H65 | sing | 0.97Å | 0.95Å | |
| C66 | O67 | sing | 1.44Å | 1.41Å | |
| C66 | C69 | sing | 1.54Å | 1.55Å | |
| C66 | H66 | sing | 1.10Å | 1.10Å | |
| O67 | C68 | sing | 1.42Å | 1.44Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C68 | H683 | sing | 1.09Å | 1.10Å | |
| C69 | O6A | sing | 1.44Å | 1.41Å | |
| C69 | C6C | sing | 1.54Å | 1.55Å | |
| C69 | H69 | sing | 1.10Å | 1.10Å | |
| O6A | C6B | sing | 1.42Å | 1.63Å | |
| C6B | H6B1 | sing | 1.09Å | 1.10Å | |
| C6B | H6B2 | sing | 1.09Å | 1.10Å | |
| C6B | H6B3 | sing | 1.09Å | 1.10Å | |
| C6C | O6D | sing | 1.44Å | 1.44Å | |
| C6C | H6C | sing | 1.10Å | 1.10Å | |
| O6D | C70 | sing | 1.44Å | 1.41Å | |
| C70 | C71 | sing | 1.55Å | 1.58Å | |
| C70 | C79 | sing | 1.54Å | 1.51Å | |
| C70 | H70 | sing | 1.10Å | 1.10Å | |
| C71 | O72 | sing | 1.43Å | 1.44Å | |
| C71 | C73 | sing | 1.53Å | 1.47Å | |
| C71 | H71 | sing | 1.10Å | 1.10Å | |
| O72 | C7I | sing | 1.43Å | 1.46Å | |
| C73 | O74 | sing | 1.42Å | 1.37Å | |
| C73 | H731 | sing | 1.09Å | 1.10Å | |
| C73 | H732 | sing | 1.10Å | 1.10Å | |
| O74 | S75 | sing | 1.63Å | 1.62Å | |
| S75 | O76 | sing | 1.63Å | 1.45Å | |
| S75 | O77 | doub | 1.45Å | 1.46Å | |
| S75 | O78 | doub | 1.45Å | 1.46Å | |
| O76 | H76 | sing | 0.99Å | 0.95Å | |
| C79 | O7A | sing | 1.44Å | 1.49Å | |
| C79 | C7C | sing | 1.53Å | 1.53Å | |
| C79 | H79 | sing | 1.10Å | 1.10Å | |
| O7A | C7B | sing | 1.42Å | 1.49Å | |
| C7B | H7B1 | sing | 1.09Å | 1.10Å | |
| C7B | H7B2 | sing | 1.09Å | 1.10Å | |
| C7B | H7B3 | sing | 1.09Å | 1.10Å | |
| C7C | O7D | sing | 1.43Å | 1.49Å | |
| C7C | C7I | sing | 1.53Å | 1.55Å | |
| C7C | H7C | sing | 1.10Å | 1.10Å | |
| O7D | S7E | sing | 1.63Å | 1.56Å | |
| S7E | O7F | sing | 1.63Å | 1.55Å | |
| S7E | O7G | doub | 1.45Å | 1.44Å | |
| S7E | O7H | doub | 1.45Å | 1.44Å | |
| O7F | H7F | sing | 0.99Å | 0.95Å | |
| C7I | H7I1 | sing | 1.10Å | 1.10Å | |
| C7I | H7I2 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C16 | 108.6° | 111.0° |
| C11 | C10 | H101 | 109.7° | 110.2° |
| C11 | C10 | H102 | 110.0° | 110.0° |
| C10 | C11 | O12 | 110.4° | 109.3° |
| C10 | C11 | C13 | 111.0° | 111.2° |
| C10 | C11 | H11 | 107.8° | 111.0° |
| C16 | C10 | H101 | 109.8° | 108.6° |
| C16 | C10 | H102 | 109.9° | 110.6° |
| C10 | C16 | O17 | 109.4° | 110.7° |
| C10 | C16 | C19 | 109.3° | 110.2° |
| C10 | C16 | H16 | 110.5° | 110.4° |
| H101 | C10 | H102 | 108.8° | 106.3° |
| O12 | C11 | C13 | 109.5° | 107.4° |
| O12 | C11 | H11 | 109.4° | 108.5° |
| C11 | O12 | C1C | 113.9° | 112.9° |
| C13 | C11 | H11 | 108.8° | 109.4° |
| C11 | C13 | O14 | 107.1° | 108.2° |
| C11 | C13 | H131 | 110.3° | 110.5° |
| C11 | C13 | H132 | 110.8° | 110.5° |
| O12 | C1C | C19 | 110.0° | 110.0° |
| O12 | C1C | O1D | 139.7° | 110.8° |
| O12 | C1C | H1C | 70.9° | 110.3° |
| O14 | C13 | H131 | 110.3° | 109.0° |
| O14 | C13 | H132 | 110.8° | 108.9° |
| C13 | O14 | C15 | 36.4° | 111.7° |
| H131 | C13 | H132 | 107.6° | 109.7° |
| O14 | C15 | H151 | 90.0° | 108.3° |
| O14 | C15 | H152 | 90.0° | 110.5° |
| O14 | C15 | H153 | 90.0° | 110.5° |
| H151 | C15 | H152 | 90.0° | 108.7° |
| H151 | C15 | H153 | 90.0° | 108.6° |
| H152 | C15 | H153 | 90.0° | 110.2° |
| O17 | C16 | C19 | 112.0° | 107.6° |
| O17 | C16 | H16 | 107.7° | 109.0° |
| C16 | O17 | C18 | 116.2° | 113.6° |
| C19 | C16 | H16 | 107.9° | 108.9° |
| C16 | C19 | O1A | 111.8° | 108.3° |
| C16 | C19 | C1C | 110.5° | 111.1° |
| C16 | C19 | H19 | 107.2° | 109.7° |
| O17 | C18 | H181 | 109.5° | 110.7° |
| O17 | C18 | H182 | 109.5° | 111.1° |
| O17 | C18 | H183 | 109.4° | 108.2° |
| H181 | C18 | H182 | 109.5° | 110.3° |
| H181 | C18 | H183 | 109.4° | 108.4° |
| H182 | C18 | H183 | 109.5° | 108.1° |
| O1A | C19 | C1C | 109.7° | 107.7° |
| O1A | C19 | H19 | 108.1° | 110.4° |
| C19 | O1A | C1B | 119.8° | 113.0° |
| C1C | C19 | H19 | 109.4° | 109.6° |
| C19 | C1C | O1D | 110.1° | 107.0° |
| C19 | C1C | H1C | 168.5° | 110.1° |
| O1A | C1B | H1B1 | 109.5° | 110.7° |
| O1A | C1B | H1B2 | 109.5° | 108.3° |
| O1A | C1B | H1B3 | 109.5° | 110.3° |
| H1B1 | C1B | H1B2 | 109.4° | 108.7° |
| H1B1 | C1B | H1B3 | 109.5° | 110.3° |
| H1B2 | C1B | H1B3 | 109.5° | 108.5° |
| O1D | C1C | H1C | 70.5° | 108.6° |
| C1C | O1D | C20 | 113.3° | 113.9° |
| O1D | C20 | C21 | 123.9° | 108.1° |
| O1D | C20 | C26 | 90.7° | 108.4° |
| O1D | C20 | H20 | 115.4° | 111.2° |
| C21 | C20 | C26 | 115.3° | 110.3° |
| C21 | C20 | H20 | 90.8° | 109.9° |
| C20 | C21 | O22 | 95.4° | 109.6° |
| C20 | C21 | C23 | 101.2° | 111.7° |
| C20 | C21 | H21 | 125.2° | 110.4° |
| C26 | C20 | H20 | 124.1° | 108.9° |
| C20 | C26 | O27 | 111.7° | 107.7° |
| C20 | C26 | C29 | 107.4° | 111.0° |
| C20 | C26 | H26 | 110.9° | 109.7° |
| O22 | C21 | C23 | 116.7° | 107.2° |
| O22 | C21 | H21 | 111.7° | 108.8° |
| C21 | O22 | C2C | 113.6° | 112.6° |
| C23 | C21 | H21 | 106.8° | 109.1° |
| C21 | C23 | O24 | 65.2° | 111.3° |
| C21 | C23 | H231 | 128.1° | 112.3° |
| C21 | C23 | H232 | 133.3° | 109.4° |
| O22 | C2C | C29 | 97.8° | 109.2° |
| O22 | C2C | O30 | 97.4° | 111.1° |
| O22 | C2C | H2C | 117.9° | 110.1° |
| O24 | C23 | H231 | 128.0° | 109.9° |
| O24 | C23 | H232 | 133.3° | 106.1° |
| C23 | O24 | C25 | 90.0° | 113.2° |
| H231 | C23 | H232 | 78.6° | 107.7° |
| O27 | C26 | C29 | 113.4° | 108.1° |
| O27 | C26 | H26 | 104.5° | 109.8° |
| C26 | O27 | C28 | 118.5° | 113.2° |
| C29 | C26 | H26 | 109.0° | 110.5° |
| C26 | C29 | O2A | 104.1° | 107.8° |
| C26 | C29 | C2C | 105.6° | 110.6° |
| C26 | C29 | H29 | 117.3° | 109.1° |
| O27 | C28 | H281 | 109.5° | 110.8° |
| O27 | C28 | H282 | 109.5° | 108.2° |
| O27 | C28 | H283 | 109.4° | 110.3° |
| H281 | C28 | H282 | 109.5° | 108.7° |
| H281 | C28 | H283 | 109.4° | 110.2° |
| H282 | C28 | H283 | 109.5° | 108.5° |
| O2A | C29 | C2C | 115.2° | 109.1° |
| O2A | C29 | H29 | 108.2° | 110.2° |
| C29 | O2A | C2B | 118.7° | 113.1° |
| C2C | C29 | H29 | 106.8° | 110.1° |
| C29 | C2C | O30 | 90.2° | 107.8° |
| C29 | C2C | H2C | 123.3° | 110.6° |
| O2A | C2B | H2B1 | 109.5° | 111.0° |
| O2A | C2B | H2B2 | 109.4° | 108.3° |
| O2A | C2B | H2B3 | 109.5° | 110.3° |
| H2B1 | C2B | H2B2 | 109.5° | 108.5° |
| H2B1 | C2B | H2B3 | 109.5° | 110.2° |
| H2B2 | C2B | H2B3 | 109.5° | 108.4° |
| O30 | C2C | H2C | 123.5° | 108.1° |
| C2C | O30 | C32 | 111.2° | 113.9° |
| O24 | C25 | H251 | 90.0° | 108.2° |
| O24 | C25 | H252 | 90.0° | 111.1° |
| O24 | C25 | H253 | 90.0° | 110.6° |
| H251 | C25 | H252 | 90.0° | 108.2° |
| H251 | C25 | H253 | 90.0° | 108.4° |
| H252 | C25 | H253 | 90.0° | 110.2° |
| O30 | C32 | C33 | 106.9° | 109.5° |
| O30 | C32 | C3B | 116.7° | 107.6° |
| O30 | C32 | H32 | 105.4° | 111.1° |
| C33 | C32 | C3B | 106.4° | 110.5° |
| C33 | C32 | H32 | 115.9° | 109.6° |
| C32 | C33 | O34 | 108.5° | 110.6° |
| C32 | C33 | C35 | 105.0° | 113.1° |
| C32 | C33 | H33 | 114.7° | 109.3° |
| C3B | C32 | H32 | 105.9° | 108.5° |
| C32 | C3B | O3C | 107.7° | 108.7° |
| C32 | C3B | C3E | 108.1° | 110.3° |
| C32 | C3B | H3B | 112.8° | 110.5° |
| O34 | C33 | C35 | 114.1° | 106.5° |
| O34 | C33 | H33 | 105.7° | 109.8° |
| C33 | O34 | C3H | 121.3° | 113.4° |
| C35 | C33 | H33 | 109.2° | 107.4° |
| C33 | C35 | O36 | 103.6° | 110.5° |
| C33 | C35 | H351 | 111.5° | 109.4° |
| C33 | C35 | H352 | 112.8° | 110.8° |
| O34 | C3H | C3E | 105.9° | 109.0° |
| O34 | C3H | O3I | 110.5° | 113.1° |
| O34 | C3H | H3H | 110.9° | 107.5° |
| O36 | C35 | H351 | 111.5° | 108.9° |
| O36 | C35 | H352 | 112.7° | 110.0° |
| C35 | O36 | S37 | 122.4° | 119.5° |
| H351 | C35 | H352 | 105.0° | 107.3° |
| O36 | S37 | O38 | 99.9° | 103.4° |
| O36 | S37 | O39 | 108.8° | 107.7° |
| O36 | S37 | O3A | 105.0° | 108.9° |
| O38 | S37 | O39 | 112.9° | 107.6° |
| O38 | S37 | O3A | 112.4° | 107.9° |
| S37 | O38 | H38 | 109.5° | 115.4° |
| O39 | S37 | O3A | 116.2° | 120.0° |
| O3C | C3B | C3E | 113.0° | 107.3° |
| O3C | C3B | H3B | 107.9° | 109.7° |
| C3B | O3C | C3D | 121.2° | 112.9° |
| C3E | C3B | H3B | 107.5° | 110.2° |
| C3B | C3E | O3F | 116.2° | 107.8° |
| C3B | C3E | C3H | 109.7° | 110.1° |
| C3B | C3E | H3E | 103.9° | 108.0° |
| O3C | C3D | H3D1 | 109.5° | 110.8° |
| O3C | C3D | H3D2 | 109.5° | 110.3° |
| O3C | C3D | H3D3 | 109.4° | 108.3° |
| H3D1 | C3D | H3D2 | 109.5° | 110.1° |
| H3D1 | C3D | H3D3 | 109.5° | 108.6° |
| H3D2 | C3D | H3D3 | 109.5° | 108.6° |
| O3F | C3E | C3H | 107.2° | 111.3° |
| O3F | C3E | H3E | 106.5° | 109.3° |
| C3E | O3F | C3G | 118.5° | 113.4° |
| C3H | C3E | H3E | 113.5° | 110.3° |
| C3E | C3H | O3I | 108.7° | 108.9° |
| C3E | C3H | H3H | 112.7° | 109.5° |
| O3F | C3G | H3G1 | 109.5° | 111.1° |
| O3F | C3G | H3G2 | 109.5° | 110.7° |
| O3F | C3G | H3G3 | 109.5° | 108.1° |
| H3G1 | C3G | H3G2 | 109.5° | 110.3° |
| H3G1 | C3G | H3G3 | 109.4° | 108.2° |
| H3G2 | C3G | H3G3 | 109.5° | 108.4° |
| O3I | C3H | H3H | 108.2° | 108.7° |
| C3H | O3I | C40 | 123.1° | 114.1° |
| O3I | C40 | C41 | 110.8° | 106.2° |
| O3I | C40 | C46 | 112.0° | 107.5° |
| O3I | C40 | H40 | 106.2° | 109.3° |
| C41 | C40 | C46 | 107.6° | 112.9° |
| C41 | C40 | H40 | 110.7° | 109.0° |
| C40 | C41 | O42 | 110.4° | 111.5° |
| C40 | C41 | C43 | 114.3° | 113.5° |
| C40 | C41 | H41 | 104.8° | 110.0° |
| C46 | C40 | H40 | 109.5° | 111.7° |
| C40 | C46 | O47 | 114.2° | 110.4° |
| C40 | C46 | C49 | 106.6° | 111.7° |
| C40 | C46 | H46 | 108.8° | 109.2° |
| O42 | C41 | C43 | 107.2° | 107.8° |
| O42 | C41 | H41 | 112.2° | 106.5° |
| C41 | O42 | C4C | 115.4° | 111.7° |
| C43 | C41 | H41 | 108.1° | 107.2° |
| C41 | C43 | O44 | 120.8° | 110.0° |
| C41 | C43 | O45 | 121.0° | 111.1° |
| C41 | C43 | H43 | 15.0° | 109.5° |
| O42 | C4C | C49 | 116.0° | 108.5° |
| O42 | C4C | O4D | 109.9° | 109.3° |
| O42 | C4C | H4C | 104.0° | 108.9° |
| O44 | C43 | O45 | 118.3° | 110.5° |
| O44 | C43 | H43 | 124.2° | 107.3° |
| C43 | O44 | H44 | 109.5° | 107.9° |
| O45 | C43 | H43 | 115.5° | 108.3° |
| C43 | O45 | H45 | 109.5° | 107.3° |
| O47 | C46 | C49 | 111.0° | 107.0° |
| O47 | C46 | H46 | 104.2° | 109.3° |
| C46 | O47 | C48 | 122.7° | 113.2° |
| C49 | C46 | H46 | 112.2° | 109.1° |
| C46 | C49 | O4A | 112.0° | 110.6° |
| C46 | C49 | C4C | 108.8° | 111.8° |
| C46 | C49 | H49 | 109.0° | 110.0° |
| O47 | C48 | H481 | 109.5° | 111.2° |
| O47 | C48 | H482 | 109.4° | 110.4° |
| O47 | C48 | H483 | 109.5° | 108.2° |
| H481 | C48 | H482 | 109.4° | 110.1° |
| H481 | C48 | H483 | 109.5° | 108.4° |
| H482 | C48 | H483 | 109.5° | 108.4° |
| O4A | C49 | C4C | 111.6° | 106.9° |
| O4A | C49 | H49 | 106.0° | 108.9° |
| C49 | O4A | C4B | 110.3° | 113.3° |
| C4C | C49 | H49 | 109.4° | 108.6° |
| C49 | C4C | O4D | 107.6° | 109.8° |
| C49 | C4C | H4C | 106.4° | 111.0° |
| O4A | C4B | H4B1 | 109.5° | 110.7° |
| O4A | C4B | H4B2 | 109.5° | 108.2° |
| O4A | C4B | H4B3 | 109.5° | 111.3° |
| H4B1 | C4B | H4B2 | 109.5° | 108.3° |
| H4B1 | C4B | H4B3 | 109.4° | 109.9° |
| H4B2 | C4B | H4B3 | 109.5° | 108.4° |
| O4D | C4C | H4C | 112.9° | 109.3° |
| C4C | O4D | C50 | 120.9° | 115.0° |
| O4D | C50 | C51 | 112.3° | 107.7° |
| O4D | C50 | C59 | 109.6° | 110.3° |
| O4D | C50 | H50 | 107.1° | 110.5° |
| C51 | C50 | C59 | 108.4° | 109.7° |
| C51 | C50 | H50 | 108.4° | 109.3° |
| C50 | C51 | O52 | 110.6° | 110.8° |
| C50 | C51 | C53 | 111.7° | 111.7° |
| C50 | C51 | H51 | 106.9° | 110.5° |
| C59 | C50 | H50 | 111.1° | 109.3° |
| C50 | C59 | O5A | 108.8° | 109.3° |
| C50 | C59 | C5F | 109.2° | 109.6° |
| C50 | C59 | H59 | 111.2° | 110.3° |
| O52 | C51 | C53 | 108.7° | 107.0° |
| O52 | C51 | H51 | 110.0° | 108.9° |
| C51 | O52 | C5L | 113.0° | 113.5° |
| C53 | C51 | H51 | 108.9° | 107.8° |
| C51 | C53 | O54 | 106.7° | 108.5° |
| C51 | C53 | H531 | 110.4° | 110.5° |
| C51 | C53 | H532 | 111.0° | 111.2° |
| O52 | C5L | C5F | 110.0° | 109.8° |
| O52 | C5L | O5M | 115.5° | 111.9° |
| O52 | C5L | H5L | 103.1° | 106.1° |
| O54 | C53 | H531 | 110.4° | 108.6° |
| O54 | C53 | H532 | 111.0° | 108.4° |
| C53 | O54 | S55 | 120.7° | 118.9° |
| H531 | C53 | H532 | 107.4° | 109.6° |
| O54 | S55 | O56 | 102.4° | 102.7° |
| O54 | S55 | O57 | 108.5° | 108.5° |
| O54 | S55 | O58 | 101.4° | 108.4° |
| O56 | S55 | O57 | 114.4° | 107.6° |
| O56 | S55 | O58 | 111.7° | 107.6° |
| S55 | O56 | H56 | 109.5° | 115.3° |
| O57 | S55 | O58 | 116.5° | 120.6° |
| O5A | C59 | C5F | 112.5° | 107.6° |
| O5A | C59 | H59 | 107.8° | 109.2° |
| C59 | O5A | S5B | 117.0° | 121.0° |
| C5F | C59 | H59 | 107.4° | 110.7° |
| C59 | C5F | O5G | 110.6° | 109.1° |
| C59 | C5F | C5L | 110.1° | 111.3° |
| C59 | C5F | H5F | 108.2° | 107.9° |
| O5A | S5B | O5C | 110.3° | 103.7° |
| O5A | S5B | O5D | 99.6° | 107.4° |
| O5A | S5B | O5E | 105.7° | 109.1° |
| O5C | S5B | O5D | 113.3° | 107.5° |
| O5C | S5B | O5E | 111.2° | 107.8° |
| S5B | O5C | H5C | 109.5° | 115.4° |
| O5D | S5B | O5E | 115.7° | 120.1° |
| O5G | C5F | C5L | 109.2° | 109.1° |
| O5G | C5F | H5F | 109.1° | 110.0° |
| C5F | O5G | S5H | 121.5° | 120.6° |
| C5L | C5F | H5F | 109.6° | 109.4° |
| C5F | C5L | O5M | 102.8° | 110.2° |
| C5F | C5L | H5L | 115.8° | 108.8° |
| O5G | S5H | O5I | 99.5° | 104.0° |
| O5G | S5H | O5J | 103.4° | 107.5° |
| O5G | S5H | O5K | 109.3° | 108.2° |
| O5I | S5H | O5J | 114.0° | 107.6° |
| O5I | S5H | O5K | 117.7° | 108.0° |
| S5H | O5I | H5I | 109.5° | 115.4° |
| O5J | S5H | O5K | 111.1° | 120.4° |
| O5M | C5L | H5L | 110.2° | 110.0° |
| C5L | O5M | C60 | 122.3° | 114.1° |
| O5M | C60 | C61 | 109.7° | 111.7° |
| O5M | C60 | C66 | 108.8° | 109.5° |
| O5M | C60 | H60 | 110.9° | 108.9° |
| C61 | C60 | C66 | 112.8° | 110.9° |
| C61 | C60 | H60 | 106.8° | 109.2° |
| C60 | C61 | O62 | 110.3° | 108.8° |
| C60 | C61 | C63 | 116.2° | 116.4° |
| C60 | C61 | H61 | 102.7° | 107.7° |
| C66 | C60 | H60 | 107.8° | 106.5° |
| C60 | C66 | O67 | 110.3° | 107.8° |
| C60 | C66 | C69 | 112.0° | 109.7° |
| C60 | C66 | H66 | 106.8° | 111.7° |
| O62 | C61 | C63 | 104.4° | 111.2° |
| O62 | C61 | H61 | 114.8° | 105.7° |
| C61 | O62 | C6C | 118.5° | 115.4° |
| C63 | C61 | H61 | 108.8° | 106.5° |
| C61 | C63 | O64 | 118.7° | 107.7° |
| C61 | C63 | O65 | 120.8° | 110.1° |
| C61 | C63 | H63 | 110.0° | 111.7° |
| O62 | C6C | C69 | 116.8° | 113.3° |
| O62 | C6C | O6D | 108.7° | 112.1° |
| O62 | C6C | H6C | 104.9° | 108.3° |
| O64 | C63 | O65 | 120.5° | 109.7° |
| O64 | C63 | H63 | 126.5° | 108.5° |
| C63 | O64 | H64 | 109.5° | 107.0° |
| O65 | C63 | H63 | 23.8° | 109.1° |
| C63 | O65 | H65 | 109.5° | 107.2° |
| O67 | C66 | C69 | 108.4° | 107.9° |
| O67 | C66 | H66 | 110.5° | 109.5° |
| C66 | O67 | C68 | 112.5° | 113.3° |
| C69 | C66 | H66 | 108.8° | 110.2° |
| C66 | C69 | O6A | 109.9° | 111.2° |
| C66 | C69 | C6C | 107.8° | 111.5° |
| C66 | C69 | H69 | 111.1° | 109.5° |
| O67 | C68 | H681 | 109.5° | 110.2° |
| O67 | C68 | H682 | 109.4° | 108.3° |
| O67 | C68 | H683 | 109.4° | 111.4° |
| H681 | C68 | H682 | 109.5° | 108.6° |
| H681 | C68 | H683 | 109.4° | 109.6° |
| H682 | C68 | H683 | 109.5° | 108.7° |
| O6A | C69 | C6C | 111.9° | 105.8° |
| O6A | C69 | H69 | 107.0° | 108.8° |
| C69 | O6A | C6B | 113.6° | 114.7° |
| C6C | C69 | H69 | 109.1° | 110.0° |
| C69 | C6C | O6D | 109.5° | 110.4° |
| C69 | C6C | H6C | 104.1° | 108.7° |
| O6A | C6B | H6B1 | 109.5° | 110.9° |
| O6A | C6B | H6B2 | 109.5° | 111.5° |
| O6A | C6B | H6B3 | 109.5° | 108.0° |
| H6B1 | C6B | H6B2 | 109.4° | 110.3° |
| H6B1 | C6B | H6B3 | 109.4° | 107.7° |
| H6B2 | C6B | H6B3 | 109.5° | 108.4° |
| O6D | C6C | H6C | 112.9° | 103.4° |
| C6C | O6D | C70 | 112.8° | 116.1° |
| O6D | C70 | C71 | 112.2° | 109.1° |
| O6D | C70 | C79 | 108.9° | 105.3° |
| O6D | C70 | H70 | 108.0° | 109.3° |
| C71 | C70 | C79 | 109.5° | 112.3° |
| C71 | C70 | H70 | 107.4° | 110.6° |
| C70 | C71 | O72 | 110.0° | 110.7° |
| C70 | C71 | C73 | 111.7° | 113.1° |
| C70 | C71 | H71 | 107.2° | 108.8° |
| C79 | C70 | H70 | 110.8° | 110.0° |
| C70 | C79 | O7A | 111.4° | 107.0° |
| C70 | C79 | C7C | 108.7° | 110.3° |
| C70 | C79 | H79 | 109.1° | 110.2° |
| O72 | C71 | C73 | 108.4° | 111.0° |
| O72 | C71 | H71 | 110.6° | 105.5° |
| C71 | O72 | C7I | 113.3° | 114.9° |
| C73 | C71 | H71 | 108.9° | 107.3° |
| C71 | C73 | O74 | 105.4° | 109.2° |
| C71 | C73 | H731 | 110.8° | 111.3° |
| C71 | C73 | H732 | 111.7° | 110.0° |
| O72 | C7I | C7C | 110.7° | 113.3° |
| O72 | C7I | H7I1 | 109.1° | 106.9° |
| O72 | C7I | H7I2 | 108.8° | 109.2° |
| O74 | C73 | H731 | 110.9° | 109.8° |
| O74 | C73 | H732 | 111.7° | 108.9° |
| C73 | O74 | S75 | 120.4° | 120.0° |
| H731 | C73 | H732 | 106.4° | 107.6° |
| O74 | S75 | O76 | 106.3° | 103.8° |
| O74 | S75 | O77 | 108.0° | 108.2° |
| O74 | S75 | O78 | 106.1° | 107.5° |
| O76 | S75 | O77 | 111.4° | 108.0° |
| O76 | S75 | O78 | 112.2° | 107.6° |
| S75 | O76 | H76 | 109.5° | 115.3° |
| O77 | S75 | O78 | 112.4° | 120.5° |
| O7A | C79 | C7C | 110.6° | 109.5° |
| O7A | C79 | H79 | 107.1° | 109.5° |
| C79 | O7A | C7B | 120.6° | 113.3° |
| C7C | C79 | H79 | 109.9° | 110.3° |
| C79 | C7C | O7D | 111.3° | 109.5° |
| C79 | C7C | C7I | 110.2° | 111.0° |
| C79 | C7C | H7C | 108.2° | 108.8° |
| O7A | C7B | H7B1 | 109.5° | 110.2° |
| O7A | C7B | H7B2 | 109.4° | 108.2° |
| O7A | C7B | H7B3 | 109.4° | 111.3° |
| H7B1 | C7B | H7B2 | 109.5° | 108.5° |
| H7B1 | C7B | H7B3 | 109.5° | 110.1° |
| H7B2 | C7B | H7B3 | 109.5° | 108.5° |
| O7D | C7C | C7I | 110.8° | 108.2° |
| O7D | C7C | H7C | 107.6° | 109.1° |
| C7C | O7D | S7E | 122.1° | 120.6° |
| C7I | C7C | H7C | 108.7° | 110.3° |
| C7C | C7I | H7I1 | 109.1° | 111.0° |
| C7C | C7I | H7I2 | 108.8° | 110.4° |
| O7D | S7E | O7F | 104.4° | 103.4° |
| O7D | S7E | O7G | 110.3° | 108.9° |
| O7D | S7E | O7H | 110.2° | 107.6° |
| O7F | S7E | O7G | 109.1° | 108.0° |
| O7F | S7E | O7H | 109.5° | 107.5° |
| S7E | O7F | H7F | 109.5° | 115.7° |
| O7G | S7E | O7H | 113.0° | 120.2° |
| H7I1 | C7I | H7I2 | 110.4° | 105.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C16 | H101 | 120.0° | 121.3° |
| C11 | C10 | C16 | H102 | 120.3° | 122.4° |
| C11 | C10 | H101 | H102 | 120.4° | 119.2° |
| C10 | C11 | O12 | C13 | 122.5° | 120.7° |
| C10 | C11 | O12 | H11 | 118.4° | 121.2° |
| C10 | C11 | C13 | H11 | 118.4° | 122.9° |
| C10 | C11 | O12 | C1C | 58.1° | 63.6° |
| C10 | C11 | C13 | O14 | 172.4° | 113.4° |
| C10 | C11 | C13 | H131 | 52.4° | 5.9° |
| C10 | C11 | C13 | H132 | 66.7° | 127.5° |
| C11 | C10 | C16 | O17 | 179.7° | 170.2° |
| C11 | C10 | C16 | C19 | 57.3° | 51.3° |
| C11 | C10 | C16 | H16 | 61.2° | 69.1° |
| C16 | C10 | H101 | H102 | 120.4° | 119.0° |
| C16 | C10 | C11 | O12 | 57.5° | 57.0° |
| C16 | C10 | C11 | C13 | 179.1° | 175.4° |
| C16 | C10 | C11 | H11 | 61.9° | 62.6° |
| C10 | C16 | O17 | C19 | 121.4° | 120.4° |
| C10 | C16 | O17 | H16 | 120.2° | 121.6° |
| C10 | C16 | C19 | H16 | 120.2° | 121.3° |
| C10 | C16 | O17 | C18 | 138.5° | 137.1° |
| C10 | C16 | C19 | O1A | 179.2° | 168.0° |
| C10 | C16 | C19 | C1C | 58.3° | 50.0° |
| C10 | C16 | C19 | H19 | 60.9° | 71.4° |
| H101 | C10 | C11 | O12 | 62.5° | 63.3° |
| H101 | C10 | C11 | C13 | 59.1° | 55.1° |
| H101 | C10 | C11 | H11 | 178.1° | 177.1° |
| H101 | C10 | C16 | O17 | 60.3° | 48.9° |
| H101 | C10 | C16 | C19 | 62.6° | 70.0° |
| H101 | C10 | C16 | H16 | 178.8° | 169.7° |
| H102 | C10 | C11 | O12 | 177.8° | 179.7° |
| H102 | C10 | C11 | C13 | 60.6° | 61.9° |
| H102 | C10 | C11 | H11 | 58.4° | 60.1° |
| H102 | C10 | C16 | O17 | 59.3° | 67.4° |
| H102 | C10 | C16 | C19 | 177.7° | 173.7° |
| H102 | C10 | C16 | H16 | 59.1° | 53.3° |
| O12 | C11 | C13 | H11 | 119.4° | 117.5° |
| O12 | C11 | C13 | O14 | 65.5° | 127.1° |
| O12 | C11 | C13 | H131 | 174.5° | 113.6° |
| O12 | C11 | C13 | H132 | 55.4° | 8.0° |
| C11 | O12 | C1C | C19 | 57.6° | 62.5° |
| C11 | O12 | C1C | O1D | 116.8° | 179.4° |
| C11 | O12 | C1C | H1C | 134.5° | 59.2° |
| C13 | C11 | O12 | C1C | 179.4° | 175.7° |
| C11 | C13 | O14 | H131 | 120.0° | 120.3° |
| C11 | C13 | O14 | H132 | 120.9° | 120.1° |
| C11 | C13 | H131 | H132 | 121.0° | 122.1° |
| C11 | C13 | O14 | C15 | 11.2° | 121.5° |
| H11 | C11 | O12 | C1C | 60.3° | 57.6° |
| H11 | C11 | C13 | O14 | 54.0° | 9.5° |
| H11 | C11 | C13 | H131 | 66.1° | 128.9° |
| H11 | C11 | C13 | H132 | 174.9° | 109.6° |
| O12 | C1C | C19 | C16 | 56.2° | 54.6° |
| O12 | C1C | C19 | O1A | 179.9° | 173.1° |
| O12 | C1C | C19 | O1D | 176.1° | 120.4° |
| O12 | C1C | C19 | H1C | 92.6° | 121.7° |
| O12 | C1C | C19 | H19 | 61.6° | 66.8° |
| O12 | C1C | O1D | H1C | 17.8° | 121.2° |
| O12 | C1C | O1D | C20 | 30.4° | 41.5° |
| O14 | C13 | H131 | H132 | 121.0° | 119.1° |
| C13 | O14 | C15 | H151 | 90.0° | 179.7° |
| C13 | O14 | C15 | H152 | 90.0° | 60.7° |
| C13 | O14 | C15 | H153 | 90.0° | 61.5° |
| H131 | C13 | O14 | C15 | 108.9° | 1.2° |
| H132 | C13 | O14 | C15 | 132.1° | 118.3° |
| O14 | C15 | H151 | H152 | 90.0° | 120.1° |
| O14 | C15 | H151 | H153 | 90.0° | 120.0° |
| O14 | C15 | H152 | H153 | 90.0° | 122.4° |
| H151 | C15 | H152 | H153 | 90.0° | 118.9° |
| O17 | C16 | C19 | H16 | 118.4° | 118.0° |
| C16 | O17 | C18 | H181 | 158.6° | 57.0° |
| C16 | O17 | C18 | H182 | 38.6° | 65.9° |
| C16 | O17 | C18 | H183 | 81.4° | 175.6° |
| O17 | C16 | C19 | O1A | 57.8° | 71.2° |
| O17 | C16 | C19 | C1C | 179.7° | 170.7° |
| O17 | C16 | C19 | H19 | 60.5° | 49.3° |
| C19 | C16 | O17 | C18 | 100.1° | 102.4° |
| C16 | C19 | O1A | C1C | 123.0° | 120.2° |
| C16 | C19 | O1A | H19 | 117.7° | 120.1° |
| C16 | C19 | C1C | H19 | 117.8° | 121.5° |
| C16 | C19 | O1A | C1B | 102.9° | 172.4° |
| C16 | C19 | C1C | O1D | 120.0° | 175.0° |
| C16 | C19 | C1C | H1C | 148.8° | 67.1° |
| H16 | C16 | O17 | C18 | 18.4° | 15.5° |
| H16 | C16 | C19 | O1A | 60.6° | 46.7° |
| H16 | C16 | C19 | C1C | 61.9° | 71.3° |
| H16 | C16 | C19 | H19 | 178.9° | 167.3° |
| O17 | C18 | H181 | H182 | 120.0° | 123.3° |
| O17 | C18 | H181 | H183 | 120.0° | 118.4° |
| O17 | C18 | H182 | H183 | 120.0° | 118.5° |
| H181 | C18 | H182 | H183 | 120.0° | 118.4° |
| O1A | C19 | C1C | H19 | 118.5° | 120.1° |
| C19 | O1A | C1B | H1B1 | 87.2° | 60.2° |
| C19 | O1A | C1B | H1B2 | 32.7° | 179.3° |
| C19 | O1A | C1B | H1B3 | 152.7° | 62.1° |
| O1A | C19 | C1C | O1D | 3.8° | 66.5° |
| O1A | C19 | C1C | H1C | 87.5° | 51.3° |
| C1C | C19 | O1A | C1B | 134.1° | 67.4° |
| C19 | C1C | O1D | H1C | 167.8° | 118.9° |
| C19 | C1C | O1D | C20 | 155.2° | 161.4° |
| H19 | C19 | O1A | C1B | 14.8° | 52.2° |
| H19 | C19 | C1C | O1D | 122.2° | 53.6° |
| H19 | C19 | C1C | H1C | 31.0° | 171.4° |
| O1A | C1B | H1B1 | H1B2 | 120.0° | 118.8° |
| O1A | C1B | H1B1 | H1B3 | 120.0° | 122.4° |
| O1A | C1B | H1B2 | H1B3 | 120.0° | 119.8° |
| H1B1 | C1B | H1B2 | H1B3 | 120.0° | 119.9° |
| C1C | O1D | C20 | C21 | 83.6° | 124.2° |
| C1C | O1D | C20 | C26 | 154.9° | 116.2° |
| C1C | O1D | C20 | H20 | 26.2° | 3.4° |
| H1C | C1C | O1D | C20 | 12.6° | 79.7° |
| O1D | C20 | C21 | C26 | 109.4° | 118.3° |
| O1D | C20 | C21 | H20 | 121.8° | 121.6° |
| O1D | C20 | C26 | H20 | 121.7° | 121.1° |
| O1D | C20 | C21 | O22 | 168.4° | 174.2° |
| O1D | C20 | C21 | C23 | 73.0° | 67.2° |
| O1D | C20 | C21 | H21 | 47.0° | 54.4° |
| O1D | C20 | C26 | O27 | 52.6° | 73.5° |
| O1D | C20 | C26 | C29 | 177.5° | 168.4° |
| O1D | C20 | C26 | H26 | 63.5° | 46.0° |
| C21 | C20 | C26 | H20 | 109.8° | 120.7° |
| C20 | C21 | O22 | C23 | 105.4° | 121.4° |
| C20 | C21 | O22 | H21 | 131.4° | 120.8° |
| C20 | C21 | C23 | H21 | 132.3° | 122.3° |
| C20 | C21 | O22 | C2C | 78.0° | 64.5° |
| C20 | C21 | C23 | O24 | 37.1° | 118.1° |
| C20 | C21 | C23 | H231 | 82.9° | 5.5° |
| C20 | C21 | C23 | H232 | 164.0° | 125.0° |
| C21 | C20 | C26 | O27 | 178.9° | 168.3° |
| C21 | C20 | C26 | C29 | 53.9° | 50.2° |
| C21 | C20 | C26 | H26 | 65.1° | 72.2° |
| C26 | C20 | C21 | O22 | 58.9° | 55.9° |
| C26 | C20 | C21 | C23 | 177.5° | 174.5° |
| C26 | C20 | C21 | H21 | 62.5° | 64.0° |
| C20 | C26 | O27 | C29 | 121.5° | 120.0° |
| C20 | C26 | O27 | H26 | 119.9° | 119.4° |
| C20 | C26 | C29 | H26 | 120.2° | 121.9° |
| C20 | C26 | O27 | C28 | 125.0° | 71.8° |
| C20 | C26 | C29 | O2A | 178.5° | 169.7° |
| C20 | C26 | C29 | C2C | 56.8° | 50.5° |
| C20 | C26 | C29 | H29 | 62.0° | 70.7° |
| H20 | C20 | C21 | O22 | 69.8° | 64.2° |
| H20 | C20 | C21 | C23 | 48.8° | 54.4° |
| H20 | C20 | C21 | H21 | 168.8° | 175.9° |
| H20 | C20 | C26 | O27 | 69.1° | 47.6° |
| H20 | C20 | C26 | C29 | 55.8° | 70.5° |
| H20 | C20 | C26 | H26 | 174.8° | 167.1° |
| O22 | C21 | C23 | H21 | 125.7° | 117.7° |
| O22 | C21 | C23 | O24 | 139.0° | 121.8° |
| O22 | C21 | C23 | H231 | 19.0° | 114.5° |
| O22 | C21 | C23 | H232 | 94.0° | 5.0° |
| C21 | O22 | C2C | C29 | 88.2° | 64.4° |
| C21 | O22 | C2C | O30 | 179.4° | 176.9° |
| C21 | O22 | C2C | H2C | 46.2° | 57.2° |
| C23 | C21 | O22 | C2C | 176.6° | 174.1° |
| C21 | C23 | O24 | H231 | 120.0° | 125.0° |
| C21 | C23 | O24 | H232 | 127.0° | 118.9° |
| C21 | C23 | H231 | H232 | 136.9° | 120.5° |
| C21 | C23 | O24 | C25 | 90.0° | 142.4° |
| H21 | C21 | O22 | C2C | 53.4° | 56.3° |
| H21 | C21 | C23 | O24 | 95.3° | 4.1° |
| H21 | C21 | C23 | H231 | 144.7° | 127.8° |
| H21 | C21 | C23 | H232 | 31.7° | 112.7° |
| O22 | C2C | C29 | C26 | 65.3° | 56.1° |
| O22 | C2C | C29 | O2A | 179.6° | 174.5° |
| O22 | C2C | C29 | O30 | 97.5° | 120.8° |
| O22 | C2C | C29 | H2C | 130.9° | 121.3° |
| O22 | C2C | C29 | H29 | 60.3° | 64.5° |
| O22 | C2C | O30 | H2C | 130.8° | 120.9° |
| O22 | C2C | O30 | C32 | 92.2° | 64.4° |
| O24 | C23 | H231 | H232 | 136.8° | 115.1° |
| C23 | O24 | C25 | H251 | 90.0° | 177.1° |
| C23 | O24 | C25 | H252 | 90.0° | 64.2° |
| C23 | O24 | C25 | H253 | 90.0° | 58.5° |
| H231 | C23 | O24 | C25 | 90.0° | 17.4° |
| H232 | C23 | O24 | C25 | 90.0° | 98.7° |
| O27 | C26 | C29 | H26 | 115.9° | 120.2° |
| C26 | O27 | C28 | H281 | 133.4° | 59.9° |
| C26 | O27 | C28 | H282 | 13.4° | 179.0° |
| C26 | O27 | C28 | H283 | 106.7° | 62.5° |
| O27 | C26 | C29 | O2A | 57.6° | 72.4° |
| O27 | C26 | C29 | C2C | 179.3° | 168.4° |
| O27 | C26 | C29 | H29 | 61.9° | 47.2° |
| C29 | C26 | O27 | C28 | 113.5° | 168.3° |
| C26 | C29 | O2A | C2C | 115.1° | 120.1° |
| C26 | C29 | O2A | H29 | 125.5° | 118.9° |
| C26 | C29 | C2C | H29 | 125.6° | 120.6° |
| C26 | C29 | O2A | C2B | 138.3° | 72.9° |
| C26 | C29 | C2C | O30 | 162.9° | 176.9° |
| C26 | C29 | C2C | H2C | 65.6° | 65.2° |
| H26 | C26 | O27 | C28 | 5.1° | 47.6° |
| H26 | C26 | C29 | O2A | 58.3° | 47.8° |
| H26 | C26 | C29 | C2C | 63.4° | 71.4° |
| H26 | C26 | C29 | H29 | 177.8° | 167.4° |
| O27 | C28 | H281 | H282 | 120.0° | 118.8° |
| O27 | C28 | H281 | H283 | 120.0° | 122.4° |
| O27 | C28 | H282 | H283 | 120.0° | 119.6° |
| H281 | C28 | H282 | H283 | 120.0° | 119.9° |
| O2A | C29 | C2C | H29 | 120.1° | 121.0° |
| C29 | O2A | C2B | H2B1 | 46.1° | 59.9° |
| C29 | O2A | C2B | H2B2 | 74.0° | 178.9° |
| C29 | O2A | C2B | H2B3 | 166.0° | 62.6° |
| O2A | C29 | C2C | O30 | 82.9° | 64.7° |
| O2A | C29 | C2C | H2C | 48.6° | 53.2° |
| C2C | C29 | O2A | C2B | 106.6° | 167.0° |
| C29 | C2C | O30 | H2C | 131.3° | 119.5° |
| C29 | C2C | O30 | C32 | 169.9° | 176.0° |
| H29 | C29 | O2A | C2B | 12.7° | 46.0° |
| H29 | C29 | C2C | O30 | 37.3° | 56.3° |
| H29 | C29 | C2C | H2C | 168.8° | 174.2° |
| O2A | C2B | H2B1 | H2B2 | 120.0° | 118.9° |
| O2A | C2B | H2B1 | H2B3 | 120.0° | 122.5° |
| O2A | C2B | H2B2 | H2B3 | 120.0° | 119.7° |
| H2B1 | C2B | H2B2 | H2B3 | 120.0° | 119.7° |
| C2C | O30 | C32 | C33 | 146.6° | 119.3° |
| C2C | O30 | C32 | C3B | 94.5° | 120.5° |
| C2C | O30 | C32 | H32 | 22.7° | 1.9° |
| H2C | C2C | O30 | C32 | 38.6° | 56.5° |
| O24 | C25 | H251 | H252 | 90.0° | 120.5° |
| O24 | C25 | H251 | H253 | 90.0° | 120.0° |
| O24 | C25 | H252 | H253 | 90.0° | 123.0° |
| H251 | C25 | H252 | H253 | 90.0° | 118.4° |
| O30 | C32 | C33 | C3B | 125.4° | 118.3° |
| O30 | C32 | C33 | H32 | 117.2° | 122.1° |
| O30 | C32 | C3B | H32 | 116.9° | 120.3° |
| O30 | C32 | C33 | O34 | 178.2° | 171.7° |
| O30 | C32 | C33 | C35 | 55.8° | 69.0° |
| O30 | C32 | C33 | H33 | 64.0° | 50.6° |
| O30 | C32 | C3B | O3C | 60.3° | 72.2° |
| O30 | C32 | C3B | C3E | 177.3° | 170.3° |
| O30 | C32 | C3B | H3B | 58.6° | 48.2° |
| C33 | C32 | C3B | H32 | 123.9° | 120.2° |
| C32 | C33 | O34 | C35 | 116.6° | 123.2° |
| C32 | C33 | O34 | H33 | 123.4° | 120.8° |
| C32 | C33 | C35 | H33 | 123.4° | 120.7° |
| C32 | C33 | O34 | C3H | 63.4° | 60.9° |
| C32 | C33 | C35 | O36 | 117.5° | 134.4° |
| C32 | C33 | C35 | H351 | 122.5° | 105.8° |
| C32 | C33 | C35 | H352 | 4.6° | 12.3° |
| C33 | C32 | C3B | O3C | 179.4° | 168.3° |
| C33 | C32 | C3B | C3E | 58.2° | 50.9° |
| C33 | C32 | C3B | H3B | 60.5° | 71.3° |
| C3B | C32 | C33 | O34 | 56.4° | 53.4° |
| C3B | C32 | C33 | C35 | 178.7° | 172.7° |
| C3B | C32 | C33 | H33 | 61.4° | 67.7° |
| C32 | C3B | O3C | C3E | 119.3° | 119.3° |
| C32 | C3B | O3C | H3B | 122.0° | 121.0° |
| C32 | C3B | C3E | H3B | 122.0° | 122.3° |
| C32 | C3B | O3C | C3D | 179.4° | 68.1° |
| C32 | C3B | C3E | O3F | 179.1° | 175.2° |
| C32 | C3B | C3E | C3H | 59.2° | 53.6° |
| C32 | C3B | C3E | H3E | 62.5° | 66.8° |
| H32 | C32 | C33 | O34 | 61.0° | 66.2° |
| H32 | C32 | C33 | C35 | 61.3° | 53.2° |
| H32 | C32 | C33 | H33 | 178.8° | 172.8° |
| H32 | C32 | C3B | O3C | 56.7° | 48.1° |
| H32 | C32 | C3B | C3E | 65.7° | 69.3° |
| H32 | C32 | C3B | H3B | 175.6° | 168.5° |
| O34 | C33 | C35 | H33 | 118.0° | 117.6° |
| O34 | C33 | C35 | O36 | 1.1° | 103.9° |
| O34 | C33 | C35 | H351 | 118.9° | 15.9° |
| O34 | C33 | C35 | H352 | 123.2° | 134.0° |
| C33 | O34 | C3H | C3E | 61.2° | 63.2° |
| C33 | O34 | C3H | O3I | 56.4° | 58.1° |
| C33 | O34 | C3H | H3H | 176.3° | 178.1° |
| C35 | C33 | O34 | C3H | 180.0° | 175.8° |
| C33 | C35 | O36 | H351 | 120.0° | 120.1° |
| C33 | C35 | O36 | H352 | 122.2° | 122.6° |
| C33 | C35 | H351 | H352 | 122.4° | 120.2° |
| C33 | C35 | O36 | S37 | 179.1° | 119.8° |
| H33 | C33 | O34 | C3H | 60.0° | 59.8° |
| H33 | C33 | C35 | O36 | 119.1° | 13.7° |
| H33 | C33 | C35 | H351 | 0.9° | 133.5° |
| H33 | C33 | C35 | H352 | 118.8° | 108.4° |
| O34 | C3H | C3E | C3B | 55.4° | 58.4° |
| O34 | C3H | C3E | O3F | 177.7° | 177.8° |
| O34 | C3H | C3E | O3I | 118.8° | 123.8° |
| O34 | C3H | C3E | H3H | 121.4° | 117.4° |
| O34 | C3H | C3E | H3E | 60.4° | 60.6° |
| O34 | C3H | O3I | H3H | 121.6° | 119.3° |
| O34 | C3H | O3I | C40 | 78.9° | 100.5° |
| O36 | C35 | H351 | H352 | 122.4° | 119.0° |
| C35 | O36 | S37 | O38 | 118.2° | 130.7° |
| C35 | O36 | S37 | O39 | 0.3° | 115.6° |
| C35 | O36 | S37 | O3A | 125.3° | 16.1° |
| H351 | C35 | O36 | S37 | 60.9° | 0.3° |
| H352 | C35 | O36 | S37 | 57.0° | 117.6° |
| O36 | S37 | O38 | O39 | 115.4° | 113.8° |
| O36 | S37 | O38 | O3A | 110.9° | 115.3° |
| O36 | S37 | O39 | O3A | 118.2° | 125.3° |
| O36 | S37 | O38 | H38 | 125.9° | 52.2° |
| O38 | S37 | O39 | O3A | 131.9° | 123.8° |
| O39 | S37 | O38 | H38 | 10.6° | 61.6° |
| O3A | S37 | O38 | H38 | 123.2° | 167.5° |
| O3C | C3B | C3E | H3B | 118.9° | 119.4° |
| C3B | O3C | C3D | H3D1 | 171.8° | 58.8° |
| C3B | O3C | C3D | H3D2 | 68.2° | 63.4° |
| C3B | O3C | C3D | H3D3 | 51.8° | 177.9° |
| O3C | C3B | C3E | O3F | 60.0° | 66.6° |
| O3C | C3B | C3E | C3H | 178.3° | 171.9° |
| O3C | C3B | C3E | H3E | 56.6° | 51.5° |
| C3E | C3B | O3C | C3D | 61.3° | 51.3° |
| C3B | C3E | O3F | C3H | 123.0° | 120.8° |
| C3B | C3E | O3F | H3E | 115.2° | 117.2° |
| C3B | C3E | C3H | H3E | 115.7° | 119.1° |
| C3B | C3E | O3F | C3G | 52.8° | 100.6° |
| C3B | C3E | C3H | O3I | 63.4° | 65.3° |
| C3B | C3E | C3H | H3H | 176.7° | 175.8° |
| H3B | C3B | O3C | C3D | 57.4° | 171.0° |
| H3B | C3B | C3E | O3F | 58.9° | 52.8° |
| H3B | C3B | C3E | C3H | 62.8° | 68.7° |
| H3B | C3B | C3E | H3E | 175.5° | 170.8° |
| O3C | C3D | H3D1 | H3D2 | 120.0° | 122.3° |
| O3C | C3D | H3D1 | H3D3 | 120.0° | 118.9° |
| O3C | C3D | H3D2 | H3D3 | 120.0° | 118.6° |
| H3D1 | C3D | H3D2 | H3D3 | 120.0° | 118.9° |
| O3F | C3E | C3H | H3E | 117.3° | 121.5° |
| C3E | O3F | C3G | H3G1 | 104.5° | 65.3° |
| C3E | O3F | C3G | H3G2 | 135.5° | 57.5° |
| C3E | O3F | C3G | H3G3 | 15.5° | 176.1° |
| O3F | C3E | C3H | O3I | 63.6° | 54.1° |
| O3F | C3E | C3H | H3H | 56.3° | 64.8° |
| C3H | C3E | O3F | C3G | 70.2° | 138.6° |
| C3E | C3H | O3I | H3H | 122.6° | 119.3° |
| C3E | C3H | O3I | C40 | 165.3° | 138.1° |
| H3E | C3E | O3F | C3G | 168.0° | 16.5° |
| H3E | C3E | C3H | O3I | 179.1° | 175.6° |
| H3E | C3E | C3H | H3H | 61.0° | 56.7° |
| O3F | C3G | H3G1 | H3G2 | 120.0° | 123.1° |
| O3F | C3G | H3G1 | H3G3 | 120.0° | 118.5° |
| O3F | C3G | H3G2 | H3G3 | 120.0° | 118.4° |
| H3G1 | C3G | H3G2 | H3G3 | 120.0° | 118.2° |
| C3H | O3I | C40 | C41 | 137.0° | 140.9° |
| C3H | O3I | C40 | C46 | 102.9° | 98.0° |
| C3H | O3I | C40 | H40 | 16.7° | 23.4° |
| H3H | C3H | O3I | C40 | 42.6° | 18.8° |
| O3I | C40 | C41 | C46 | 122.7° | 117.6° |
| O3I | C40 | C41 | H40 | 117.6° | 117.7° |
| O3I | C40 | C46 | H40 | 117.6° | 119.9° |
| O3I | C40 | C41 | O42 | 179.5° | 101.2° |
| O3I | C40 | C41 | C43 | 59.6° | 136.8° |
| O3I | C40 | C41 | H41 | 58.5° | 16.7° |
| O3I | C40 | C46 | O47 | 57.8° | 174.7° |
| O3I | C40 | C46 | C49 | 179.2° | 66.3° |
| O3I | C40 | C46 | H46 | 58.1° | 54.5° |
| C41 | C40 | C46 | H40 | 120.4° | 123.3° |
| C40 | C41 | O42 | C43 | 125.1° | 125.2° |
| C40 | C41 | O42 | H41 | 116.4° | 120.0° |
| C40 | C41 | C43 | H41 | 116.2° | 121.7° |
| C40 | C41 | O42 | C4C | 56.2° | 46.4° |
| C40 | C41 | C43 | O44 | 60.2° | 114.0° |
| C40 | C41 | C43 | O45 | 120.3° | 123.3° |
| C40 | C41 | C43 | H43 | 47.6° | 3.7° |
| C41 | C40 | C46 | O47 | 179.8° | 68.5° |
| C41 | C40 | C46 | C49 | 57.3° | 50.5° |
| C41 | C40 | C46 | H46 | 63.9° | 171.3° |
| C46 | C40 | C41 | O42 | 56.8° | 16.4° |
| C46 | C40 | C41 | C43 | 177.7° | 105.6° |
| C46 | C40 | C41 | H41 | 64.2° | 134.3° |
| C40 | C46 | O47 | C49 | 120.5° | 121.8° |
| C40 | C46 | O47 | H46 | 118.5° | 120.2° |
| C40 | C46 | C49 | H46 | 119.0° | 120.9° |
| C40 | C46 | O47 | C48 | 75.2° | 143.8° |
| C40 | C46 | C49 | O4A | 179.7° | 95.3° |
| C40 | C46 | C49 | C4C | 55.9° | 23.7° |
| C40 | C46 | C49 | H49 | 63.3° | 144.4° |
| H40 | C40 | C41 | O42 | 62.9° | 141.1° |
| H40 | C40 | C41 | C43 | 58.1° | 19.1° |
| H40 | C40 | C41 | H41 | 176.1° | 101.0° |
| H40 | C40 | C46 | O47 | 59.8° | 54.8° |
| H40 | C40 | C46 | C49 | 63.2° | 173.8° |
| H40 | C40 | C46 | H46 | 175.6° | 65.4° |
| O42 | C41 | C43 | H41 | 121.2° | 114.3° |
| O42 | C41 | C43 | O44 | 62.5° | 122.0° |
| O42 | C41 | C43 | O45 | 117.1° | 0.7° |
| O42 | C41 | C43 | H43 | 170.3° | 120.3° |
| C41 | O42 | C4C | C49 | 57.2° | 74.9° |
| C41 | O42 | C4C | O4D | 179.5° | 165.3° |
| C41 | O42 | C4C | H4C | 59.3° | 46.0° |
| C43 | C41 | O42 | C4C | 178.7° | 171.6° |
| C41 | C43 | O44 | O45 | 179.6° | 123.0° |
| C41 | C43 | O44 | H43 | 17.3° | 119.0° |
| C41 | C43 | O45 | H43 | 15.9° | 120.3° |
| C41 | C43 | O44 | H44 | 144.3° | 36.2° |
| C41 | C43 | O45 | H45 | 42.2° | 152.9° |
| H41 | C41 | O42 | C4C | 60.2° | 73.6° |
| H41 | C41 | C43 | O44 | 176.4° | 7.7° |
| H41 | C41 | C43 | O45 | 4.1° | 115.0° |
| H41 | C41 | C43 | H43 | 68.6° | 125.4° |
| O42 | C4C | C49 | C46 | 56.3° | 34.9° |
| O42 | C4C | C49 | O4A | 179.6° | 156.1° |
| O42 | C4C | C49 | O4D | 123.5° | 119.4° |
| O42 | C4C | C49 | H4C | 115.1° | 119.7° |
| O42 | C4C | C49 | H49 | 62.6° | 86.6° |
| O42 | C4C | O4D | H4C | 115.7° | 119.2° |
| O42 | C4C | O4D | C50 | 88.6° | 84.4° |
| O44 | C43 | O45 | H43 | 164.5° | 117.3° |
| O44 | C43 | O45 | H45 | 137.4° | 84.7° |
| O45 | C43 | O44 | H44 | 36.1° | 86.8° |
| H43 | C43 | O44 | H44 | 127.0° | 155.2° |
| H43 | C43 | O45 | H45 | 58.1° | 32.6° |
| O47 | C46 | C49 | H46 | 116.1° | 118.1° |
| C46 | O47 | C48 | H481 | 98.4° | 61.1° |
| C46 | O47 | C48 | H482 | 141.7° | 61.4° |
| C46 | O47 | C48 | H483 | 21.6° | 180.0° |
| O47 | C46 | C49 | O4A | 55.3° | 143.7° |
| O47 | C46 | C49 | C4C | 179.1° | 97.3° |
| O47 | C46 | C49 | H49 | 61.7° | 23.4° |
| C49 | C46 | O47 | C48 | 45.3° | 94.3° |
| C46 | C49 | O4A | C4C | 122.2° | 121.9° |
| C46 | C49 | O4A | H49 | 118.8° | 121.0° |
| C46 | C49 | C4C | H49 | 119.0° | 121.5° |
| C46 | C49 | O4A | C4B | 134.9° | 142.5° |
| C46 | C49 | C4C | O4D | 179.9° | 154.4° |
| C46 | C49 | C4C | H4C | 58.8° | 84.7° |
| H46 | C46 | O47 | C48 | 166.3° | 23.7° |
| H46 | C46 | C49 | O4A | 60.8° | 25.6° |
| H46 | C46 | C49 | C4C | 63.1° | 144.6° |
| H46 | C46 | C49 | H49 | 177.8° | 94.7° |
| O47 | C48 | H481 | H482 | 120.0° | 122.7° |
| O47 | C48 | H481 | H483 | 120.0° | 118.8° |
| O47 | C48 | H482 | H483 | 120.0° | 118.4° |
| H481 | C48 | H482 | H483 | 120.0° | 118.4° |
| O4A | C49 | C4C | H49 | 117.0° | 117.3° |
| C49 | O4A | C4B | H4B1 | 38.8° | 59.9° |
| C49 | O4A | C4B | H4B2 | 158.8° | 178.4° |
| C49 | O4A | C4B | H4B3 | 81.2° | 62.6° |
| O4A | C49 | C4C | O4D | 56.1° | 84.5° |
| O4A | C49 | C4C | H4C | 65.2° | 36.5° |
| C4C | C49 | O4A | C4B | 102.9° | 95.6° |
| C49 | C4C | O4D | H4C | 117.2° | 122.0° |
| C49 | C4C | O4D | C50 | 144.3° | 156.7° |
| H49 | C49 | O4A | C4B | 16.1° | 21.6° |
| H49 | C49 | C4C | O4D | 60.9° | 32.9° |
| H49 | C49 | C4C | H4C | 177.8° | 153.8° |
| O4A | C4B | H4B1 | H4B2 | 120.0° | 118.4° |
| O4A | C4B | H4B1 | H4B3 | 120.0° | 123.3° |
| O4A | C4B | H4B2 | H4B3 | 120.0° | 120.8° |
| H4B1 | C4B | H4B2 | H4B3 | 120.0° | 119.2° |
| C4C | O4D | C50 | C51 | 101.1° | 88.5° |
| C4C | O4D | C50 | C59 | 138.4° | 151.8° |
| C4C | O4D | C50 | H50 | 17.8° | 30.8° |
| H4C | C4C | O4D | C50 | 27.1° | 34.8° |
| O4D | C50 | C51 | C59 | 121.2° | 120.1° |
| O4D | C50 | C51 | H50 | 118.1° | 120.0° |
| O4D | C50 | C59 | H50 | 118.2° | 121.7° |
| O4D | C50 | C51 | O52 | 178.3° | 176.1° |
| O4D | C50 | C51 | C53 | 60.4° | 64.7° |
| O4D | C50 | C51 | H51 | 58.5° | 55.3° |
| O4D | C50 | C59 | O5A | 57.4° | 71.1° |
| O4D | C50 | C59 | C5F | 179.5° | 171.1° |
| O4D | C50 | C59 | H59 | 61.2° | 49.0° |
| C51 | C50 | C59 | H50 | 119.0° | 119.8° |
| C50 | C51 | O52 | C53 | 123.0° | 122.0° |
| C50 | C51 | O52 | H51 | 117.8° | 121.7° |
| C50 | C51 | C53 | H51 | 117.8° | 121.6° |
| C50 | C51 | O52 | C5L | 58.4° | 61.1° |
| C50 | C51 | C53 | O54 | 54.2° | 113.4° |
| C50 | C51 | C53 | H531 | 174.3° | 127.6° |
| C50 | C51 | C53 | H532 | 66.8° | 5.7° |
| C51 | C50 | C59 | O5A | 179.8° | 170.4° |
| C51 | C50 | C59 | C5F | 56.7° | 52.6° |
| C51 | C50 | C59 | H59 | 61.6° | 69.5° |
| C59 | C50 | C51 | O52 | 57.1° | 56.0° |
| C59 | C50 | C51 | C53 | 178.3° | 175.2° |
| C59 | C50 | C51 | H51 | 62.7° | 64.8° |
| C50 | C59 | O5A | C5F | 121.1° | 119.0° |
| C50 | C59 | O5A | H59 | 120.7° | 120.8° |
| C50 | C59 | C5F | H59 | 120.6° | 121.8° |
| C50 | C59 | O5A | S5B | 122.6° | 62.4° |
| C50 | C59 | C5F | O5G | 179.9° | 173.8° |
| C50 | C59 | C5F | C5L | 59.2° | 53.3° |
| C50 | C59 | C5F | H5F | 60.6° | 66.7° |
| H50 | C50 | C51 | O52 | 63.6° | 63.8° |
| H50 | C50 | C51 | C53 | 57.7° | 55.3° |
| H50 | C50 | C51 | H51 | 176.7° | 175.3° |
| H50 | C50 | C59 | O5A | 60.8° | 50.6° |
| H50 | C50 | C59 | C5F | 62.3° | 67.2° |
| H50 | C50 | C59 | H59 | 179.4° | 170.7° |
| O52 | C51 | C53 | H51 | 119.8° | 117.0° |
| O52 | C51 | C53 | O54 | 68.1° | 125.1° |
| O52 | C51 | C53 | H531 | 51.9° | 6.2° |
| O52 | C51 | C53 | H532 | 170.8° | 115.8° |
| C51 | O52 | C5L | C5F | 59.5° | 60.4° |
| C51 | O52 | C5L | O5M | 56.3° | 62.3° |
| C51 | O52 | C5L | H5L | 176.5° | 177.7° |
| C53 | C51 | O52 | C5L | 178.5° | 176.9° |
| C51 | C53 | O54 | H531 | 120.0° | 120.2° |
| C51 | C53 | O54 | H532 | 121.1° | 120.8° |
| C51 | C53 | H531 | H532 | 121.1° | 122.9° |
| C51 | C53 | O54 | S55 | 179.8° | 119.2° |
| H51 | C51 | O52 | C5L | 59.4° | 60.6° |
| H51 | C51 | C53 | O54 | 172.0° | 8.1° |
| H51 | C51 | C53 | H531 | 67.9° | 110.8° |
| H51 | C51 | C53 | H532 | 51.0° | 127.2° |
| O52 | C5L | C5F | C59 | 58.3° | 56.1° |
| O52 | C5L | C5F | O5G | 179.9° | 176.6° |
| O52 | C5L | C5F | O5M | 123.6° | 123.7° |
| O52 | C5L | C5F | H5L | 116.3° | 115.7° |
| O52 | C5L | C5F | H5F | 60.6° | 63.1° |
| O52 | C5L | O5M | H5L | 116.3° | 117.6° |
| O52 | C5L | O5M | C60 | 59.3° | 66.7° |
| O54 | C53 | H531 | H532 | 121.1° | 118.3° |
| C53 | O54 | S55 | O56 | 121.2° | 119.7° |
| C53 | O54 | S55 | O57 | 0.2° | 6.0° |
| C53 | O54 | S55 | O58 | 123.3° | 126.6° |
| H531 | C53 | O54 | S55 | 59.8° | 1.0° |
| H532 | C53 | O54 | S55 | 59.1° | 120.0° |
| O54 | S55 | O56 | O57 | 117.2° | 114.3° |
| O54 | S55 | O56 | O58 | 107.8° | 114.2° |
| O54 | S55 | O57 | O58 | 113.6° | 125.7° |
| O54 | S55 | O56 | H56 | 126.2° | 47.4° |
| O56 | S55 | O57 | O58 | 132.8° | 123.9° |
| O57 | S55 | O56 | H56 | 116.6° | 161.7° |
| O58 | S55 | O56 | H56 | 18.4° | 66.9° |
| O5A | C59 | C5F | H59 | 118.5° | 119.3° |
| C59 | O5A | S5B | O5C | 60.3° | 130.6° |
| C59 | O5A | S5B | O5D | 179.8° | 115.8° |
| C59 | O5A | S5B | O5E | 60.0° | 16.0° |
| O5A | C59 | C5F | O5G | 59.2° | 67.3° |
| O5A | C59 | C5F | C5L | 179.9° | 172.2° |
| O5A | C59 | C5F | H5F | 60.3° | 52.2° |
| C5F | C59 | O5A | S5B | 116.3° | 178.6° |
| C59 | C5F | O5G | C5L | 121.3° | 121.8° |
| C59 | C5F | O5G | H5F | 118.9° | 118.2° |
| C59 | C5F | C5L | H5F | 118.9° | 119.2° |
| C59 | C5F | O5G | S5H | 162.3° | 71.4° |
| C59 | C5F | C5L | O5M | 65.3° | 67.6° |
| C59 | C5F | C5L | H5L | 174.6° | 171.7° |
| H59 | C59 | O5A | S5B | 2.0° | 58.3° |
| H59 | C59 | C5F | O5G | 59.3° | 52.0° |
| H59 | C59 | C5F | C5L | 61.4° | 68.5° |
| H59 | C59 | C5F | H5F | 178.8° | 171.5° |
| O5A | S5B | O5C | O5D | 110.7° | 113.5° |
| O5A | S5B | O5C | O5E | 116.9° | 115.6° |
| O5A | S5B | O5D | O5E | 112.7° | 125.4° |
| O5A | S5B | O5C | H5C | 76.2° | 51.3° |
| O5C | S5B | O5D | O5E | 130.2° | 123.6° |
| O5D | S5B | O5C | H5C | 173.1° | 62.2° |
| O5E | S5B | O5C | H5C | 40.7° | 167.0° |
| O5G | C5F | C5L | H5F | 119.5° | 120.3° |
| C5F | O5G | S5H | O5I | 124.5° | 110.5° |
| C5F | O5G | S5H | O5J | 117.8° | 135.6° |
| C5F | O5G | S5H | O5K | 0.5° | 4.1° |
| O5G | C5F | C5L | O5M | 56.3° | 52.9° |
| O5G | C5F | C5L | H5L | 63.9° | 67.8° |
| C5L | C5F | O5G | S5H | 76.5° | 166.8° |
| C5F | C5L | O5M | H5L | 124.0° | 119.9° |
| C5F | C5L | O5M | C60 | 179.1° | 170.9° |
| H5F | C5F | O5G | S5H | 43.3° | 46.8° |
| H5F | C5F | C5L | O5M | 175.8° | 173.2° |
| H5F | C5F | C5L | H5L | 55.6° | 52.6° |
| O5G | S5H | O5I | O5J | 109.4° | 113.9° |
| O5G | S5H | O5I | O5K | 117.8° | 114.8° |
| O5G | S5H | O5J | O5K | 117.1° | 124.4° |
| O5G | S5H | O5I | H5I | 45.4° | 177.5° |
| O5I | S5H | O5J | O5K | 135.9° | 124.1° |
| O5J | S5H | O5I | H5I | 64.0° | 63.6° |
| O5K | S5H | O5I | H5I | 163.2° | 67.8° |
| C5L | O5M | C60 | C61 | 147.1° | 82.3° |
| C5L | O5M | C60 | C66 | 89.1° | 154.4° |
| C5L | O5M | C60 | H60 | 29.3° | 38.4° |
| H5L | C5L | O5M | C60 | 57.0° | 51.0° |
| O5M | C60 | C61 | C66 | 121.5° | 122.5° |
| O5M | C60 | C61 | H60 | 120.3° | 120.5° |
| O5M | C60 | C66 | H60 | 120.3° | 117.6° |
| O5M | C60 | C61 | O62 | 90.8° | 178.4° |
| O5M | C60 | C61 | C63 | 27.7° | 55.1° |
| O5M | C60 | C61 | H61 | 146.3° | 64.3° |
| O5M | C60 | C66 | O67 | 93.0° | 64.0° |
| O5M | C60 | C66 | C69 | 146.1° | 178.8° |
| O5M | C60 | C66 | H66 | 27.1° | 56.3° |
| C61 | C60 | C66 | H60 | 117.6° | 118.6° |
| C60 | C61 | O62 | C63 | 125.6° | 129.4° |
| C60 | C61 | O62 | H61 | 115.4° | 115.4° |
| C60 | C61 | C63 | H61 | 115.2° | 120.0° |
| C60 | C61 | O62 | C6C | 54.4° | 59.3° |
| C60 | C61 | C63 | O64 | 115.3° | 119.3° |
| C60 | C61 | C63 | O65 | 65.3° | 0.3° |
| C60 | C61 | C63 | H63 | 41.7° | 121.6° |
| C61 | C60 | C66 | O67 | 145.0° | 172.3° |
| C61 | C60 | C66 | C69 | 24.1° | 55.0° |
| C61 | C60 | C66 | H66 | 94.9° | 67.5° |
| C66 | C60 | C61 | O62 | 30.6° | 59.1° |
| C66 | C60 | C61 | C63 | 149.2° | 67.4° |
| C66 | C60 | C61 | H61 | 92.2° | 173.2° |
| C60 | C66 | O67 | C69 | 123.0° | 118.4° |
| C60 | C66 | O67 | H66 | 117.9° | 121.6° |
| C60 | C66 | C69 | H66 | 117.8° | 123.3° |
| C60 | C66 | O67 | C68 | 124.1° | 163.3° |
| C60 | C66 | C69 | O6A | 179.6° | 166.4° |
| C60 | C66 | C69 | C6C | 58.2° | 48.6° |
| C60 | C66 | C69 | H69 | 61.3° | 73.4° |
| H60 | C60 | C61 | O62 | 148.8° | 57.9° |
| H60 | C60 | C61 | C63 | 92.6° | 175.6° |
| H60 | C60 | C61 | H61 | 26.0° | 56.3° |
| H60 | C60 | C66 | O67 | 27.3° | 53.7° |
| H60 | C60 | C66 | C69 | 93.5° | 63.6° |
| H60 | C60 | C66 | H66 | 147.5° | 173.9° |
| O62 | C61 | C63 | H61 | 123.0° | 114.6° |
| O62 | C61 | C63 | O64 | 123.0° | 115.4° |
| O62 | C61 | C63 | O65 | 56.5° | 125.0° |
| O62 | C61 | C63 | H63 | 80.0° | 3.7° |
| C61 | O62 | C6C | C69 | 18.6° | 54.7° |
| C61 | O62 | C6C | O6D | 105.8° | 179.5° |
| C61 | O62 | C6C | H6C | 133.2° | 66.0° |
| C63 | C61 | O62 | C6C | 179.9° | 70.1° |
| C61 | C63 | O64 | O65 | 179.5° | 119.8° |
| C61 | C63 | O64 | H63 | 152.8° | 121.1° |
| C61 | C63 | O65 | H63 | 68.4° | 122.9° |
| C61 | C63 | O64 | H64 | 148.8° | 155.8° |
| C61 | C63 | O65 | H65 | 30.7° | 156.7° |
| H61 | C61 | O62 | C6C | 61.1° | 174.7° |
| H61 | C61 | C63 | O64 | 0.1° | 0.8° |
| H61 | C61 | C63 | O65 | 179.5° | 120.3° |
| H61 | C61 | C63 | H63 | 156.9° | 118.3° |
| O62 | C6C | C69 | C66 | 39.4° | 47.9° |
| O62 | C6C | C69 | O6A | 160.4° | 168.9° |
| O62 | C6C | C69 | O6D | 124.0° | 126.8° |
| O62 | C6C | C69 | H6C | 115.0° | 120.5° |
| O62 | C6C | C69 | H69 | 81.4° | 73.7° |
| O62 | C6C | O6D | H6C | 115.9° | 116.5° |
| O62 | C6C | O6D | C70 | 77.6° | 10.4° |
| O64 | C63 | O65 | H63 | 112.1° | 118.7° |
| O64 | C63 | O65 | H65 | 148.8° | 84.9° |
| O65 | C63 | O64 | H64 | 31.7° | 84.4° |
| H63 | C63 | O64 | H64 | 4.0° | 34.7° |
| H63 | C63 | O65 | H65 | 99.1° | 33.9° |
| O67 | C66 | C69 | H66 | 120.2° | 119.5° |
| C66 | O67 | C68 | H681 | 96.7° | 65.4° |
| C66 | O67 | C68 | H682 | 143.3° | 175.9° |
| C66 | O67 | C68 | H683 | 23.2° | 56.4° |
| O67 | C66 | C69 | O6A | 57.6° | 76.5° |
| O67 | C66 | C69 | C6C | 179.9° | 165.7° |
| O67 | C66 | C69 | H69 | 60.6° | 43.7° |
| C69 | C66 | O67 | C68 | 113.0° | 78.3° |
| C66 | C69 | O6A | C6C | 119.8° | 121.2° |
| C66 | C69 | O6A | H69 | 120.8° | 120.6° |
| C66 | C69 | C6C | H69 | 120.8° | 121.7° |
| C66 | C69 | O6A | C6B | 109.7° | 142.7° |
| C66 | C69 | C6C | O6D | 163.4° | 174.7° |
| C66 | C69 | C6C | H6C | 75.7° | 72.5° |
| H66 | C66 | O67 | C68 | 6.2° | 41.7° |
| H66 | C66 | C69 | O6A | 62.6° | 43.0° |
| H66 | C66 | C69 | C6C | 59.7° | 74.8° |
| H66 | C66 | C69 | H69 | 179.2° | 163.2° |
| O67 | C68 | H681 | H682 | 120.0° | 118.5° |
| O67 | C68 | H681 | H683 | 120.0° | 122.9° |
| O67 | C68 | H682 | H683 | 120.0° | 121.2° |
| H681 | C68 | H682 | H683 | 120.0° | 119.1° |
| O6A | C69 | C6C | H69 | 118.2° | 117.3° |
| C69 | O6A | C6B | H6B1 | 98.0° | 76.2° |
| C69 | O6A | C6B | H6B2 | 22.0° | 47.1° |
| C69 | O6A | C6B | H6B3 | 142.0° | 166.0° |
| O6A | C69 | C6C | O6D | 75.6° | 64.3° |
| O6A | C69 | C6C | H6C | 45.4° | 48.5° |
| C6C | C69 | O6A | C6B | 130.6° | 96.1° |
| C69 | C6C | O6D | H6C | 115.4° | 116.1° |
| C69 | C6C | O6D | C70 | 153.7° | 137.8° |
| H69 | C69 | O6A | C6B | 11.1° | 22.0° |
| H69 | C69 | C6C | O6D | 42.6° | 53.0° |
| H69 | C69 | C6C | H6C | 163.6° | 165.8° |
| O6A | C6B | H6B1 | H6B2 | 120.0° | 124.0° |
| O6A | C6B | H6B1 | H6B3 | 120.0° | 117.9° |
| O6A | C6B | H6B2 | H6B3 | 120.0° | 118.7° |
| H6B1 | C6B | H6B2 | H6B3 | 120.0° | 117.7° |
| C6C | O6D | C70 | C71 | 106.0° | 65.4° |
| C6C | O6D | C70 | C79 | 132.6° | 173.8° |
| C6C | O6D | C70 | H70 | 12.2° | 55.6° |
| H6C | C6C | O6D | C70 | 38.3° | 106.1° |
| O6D | C70 | C71 | C79 | 121.0° | 116.4° |
| O6D | C70 | C71 | H70 | 118.6° | 120.2° |
| O6D | C70 | C79 | H70 | 118.7° | 117.7° |
| O6D | C70 | C71 | O72 | 179.2° | 97.9° |
| O6D | C70 | C71 | C73 | 60.3° | 136.8° |
| O6D | C70 | C71 | H71 | 58.9° | 17.6° |
| O6D | C70 | C79 | O7A | 57.0° | 84.2° |
| O6D | C70 | C79 | C7C | 179.1° | 156.7° |
| O6D | C70 | C79 | H79 | 61.0° | 34.7° |
| C71 | C70 | C79 | H70 | 118.3° | 123.6° |
| C70 | C71 | O72 | C73 | 122.5° | 126.5° |
| C70 | C71 | O72 | H71 | 118.2° | 117.5° |
| C70 | C71 | C73 | H71 | 118.2° | 120.0° |
| C70 | C71 | O72 | C7I | 58.1° | 62.9° |
| C70 | C71 | C73 | O74 | 61.2° | 128.4° |
| C70 | C71 | C73 | H731 | 178.8° | 7.1° |
| C70 | C71 | C73 | H732 | 60.3° | 112.1° |
| C71 | C70 | C79 | O7A | 180.0° | 157.1° |
| C71 | C70 | C79 | C7C | 57.9° | 38.1° |
| C71 | C70 | C79 | H79 | 62.0° | 84.0° |
| C79 | C70 | C71 | O72 | 58.2° | 18.5° |
| C79 | C70 | C71 | C73 | 178.6° | 106.8° |
| C79 | C70 | C71 | H71 | 62.1° | 134.1° |
| C70 | C79 | O7A | C7C | 121.0° | 119.5° |
| C70 | C79 | O7A | H79 | 119.2° | 119.4° |
| C70 | C79 | C7C | H79 | 119.3° | 122.0° |
| C70 | C79 | O7A | C7B | 136.9° | 78.5° |
| C70 | C79 | C7C | O7D | 179.1° | 176.6° |
| C70 | C79 | C7C | C7I | 57.6° | 57.2° |
| C70 | C79 | C7C | H7C | 61.1° | 64.3° |
| H70 | C70 | C71 | O72 | 62.2° | 141.9° |
| H70 | C70 | C71 | C73 | 58.3° | 16.6° |
| H70 | C70 | C71 | H71 | 177.5° | 102.6° |
| H70 | C70 | C79 | O7A | 61.7° | 33.5° |
| H70 | C70 | C79 | C7C | 60.4° | 85.6° |
| H70 | C70 | C79 | H79 | 179.7° | 152.4° |
| O72 | C71 | C73 | H71 | 120.4° | 114.9° |
| O72 | C71 | C73 | O74 | 60.2° | 106.4° |
| O72 | C71 | C73 | H731 | 59.8° | 132.2° |
| O72 | C71 | C73 | H732 | 178.3° | 13.1° |
| C71 | O72 | C7I | C7C | 57.7° | 43.4° |
| C71 | O72 | C7I | H7I1 | 62.3° | 166.0° |
| C71 | O72 | C7I | H7I2 | 177.2° | 80.1° |
| C73 | C71 | O72 | C7I | 179.5° | 63.6° |
| C71 | C73 | O74 | H731 | 120.0° | 122.3° |
| C71 | C73 | O74 | H732 | 121.6° | 120.1° |
| C71 | C73 | H731 | H732 | 121.7° | 120.6° |
| C71 | C73 | O74 | S75 | 179.4° | 135.3° |
| H71 | C71 | O72 | C7I | 60.2° | 179.6° |
| H71 | C71 | C73 | O74 | 179.4° | 8.5° |
| H71 | C71 | C73 | H731 | 60.6° | 112.9° |
| H71 | C71 | C73 | H732 | 57.9° | 127.9° |
| O72 | C7I | C7C | C79 | 56.5° | 17.7° |
| O72 | C7I | C7C | O7D | 179.9° | 137.8° |
| O72 | C7I | C7C | H7I1 | 120.0° | 120.3° |
| O72 | C7I | C7C | H7I2 | 119.5° | 122.8° |
| O72 | C7I | C7C | H7C | 61.9° | 102.9° |
| O72 | C7I | H7I1 | H7I2 | 119.5° | 116.3° |
| O74 | C73 | H731 | H732 | 121.6° | 118.4° |
| C73 | O74 | S75 | O76 | 120.0° | 131.5° |
| C73 | O74 | S75 | O77 | 0.3° | 113.9° |
| C73 | O74 | S75 | O78 | 120.4° | 17.6° |
| H731 | C73 | O74 | S75 | 60.7° | 102.4° |
| H732 | C73 | O74 | S75 | 57.8° | 15.1° |
| O74 | S75 | O76 | O77 | 117.5° | 114.7° |
| O74 | S75 | O76 | O78 | 115.5° | 113.8° |
| O74 | S75 | O77 | O78 | 116.7° | 124.1° |
| O74 | S75 | O76 | H76 | 114.0° | 179.2° |
| O76 | S75 | O77 | O78 | 126.8° | 124.1° |
| O77 | S75 | O76 | H76 | 3.5° | 64.5° |
| O78 | S75 | O76 | H76 | 130.5° | 67.0° |
| O7A | C79 | C7C | H79 | 118.0° | 120.5° |
| C79 | O7A | C7B | H7B1 | 179.2° | 63.5° |
| C79 | O7A | C7B | H7B2 | 60.8° | 178.0° |
| C79 | O7A | C7B | H7B3 | 59.2° | 58.9° |
| O7A | C79 | C7C | O7D | 56.4° | 66.0° |
| O7A | C79 | C7C | C7I | 179.7° | 174.7° |
| O7A | C79 | C7C | H7C | 61.5° | 53.1° |
| C7C | C79 | O7A | C7B | 102.1° | 161.9° |
| C79 | C7C | O7D | C7I | 123.0° | 121.0° |
| C79 | C7C | O7D | H7C | 118.3° | 119.0° |
| C79 | C7C | C7I | H7C | 118.4° | 120.7° |
| C79 | C7C | O7D | S7E | 117.3° | 78.7° |
| C79 | C7C | C7I | H7I1 | 63.5° | 102.6° |
| C79 | C7C | C7I | H7I2 | 176.0° | 140.5° |
| H79 | C79 | O7A | C7B | 17.6° | 40.9° |
| H79 | C79 | C7C | O7D | 61.6° | 54.5° |
| H79 | C79 | C7C | C7I | 61.7° | 64.8° |
| H79 | C79 | C7C | H7C | 179.6° | 173.7° |
| O7A | C7B | H7B1 | H7B2 | 120.0° | 118.3° |
| O7A | C7B | H7B1 | H7B3 | 120.0° | 123.1° |
| O7A | C7B | H7B2 | H7B3 | 120.0° | 120.8° |
| H7B1 | C7B | H7B2 | H7B3 | 120.0° | 119.6° |
| O7D | C7C | C7I | H7C | 118.0° | 119.2° |
| C7C | O7D | S7E | O7F | 117.1° | 108.2° |
| C7C | O7D | S7E | O7G | 0.0° | 137.2° |
| C7C | O7D | S7E | O7H | 125.4° | 5.4° |
| O7D | C7C | C7I | H7I1 | 60.0° | 17.5° |
| O7D | C7C | C7I | H7I2 | 60.4° | 99.4° |
| C7I | C7C | O7D | S7E | 119.8° | 160.3° |
| C7C | C7I | H7I1 | H7I2 | 119.5° | 119.7° |
| H7C | C7C | O7D | S7E | 1.1° | 40.3° |
| H7C | C7C | C7I | H7I1 | 178.0° | 136.8° |
| H7C | C7C | C7I | H7I2 | 57.6° | 19.9° |
| O7D | S7E | O7F | O7G | 117.9° | 115.3° |
| O7D | S7E | O7F | O7H | 117.9° | 113.6° |
| O7D | S7E | O7G | O7H | 123.8° | 124.7° |
| O7D | S7E | O7F | H7F | 125.5° | 48.2° |
| O7F | S7E | O7G | O7H | 122.1° | 123.7° |
| O7G | S7E | O7F | H7F | 7.6° | 67.1° |
| O7H | S7E | O7F | H7F | 116.6° | 161.9° |
