Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O3P | sing | 1.43Å | 1.46Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.45Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.45Å | 1.45Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | O4P | sing | 1.43Å | 1.47Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | N | sing | 1.47Å | 1.51Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | N | sing | 1.47Å | 1.48Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | N | sing | 1.47Å | 1.47Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C8 | N | sing | 1.47Å | 1.47Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C11 | O3 | sing | 1.34Å | 1.49Å | |
| C11 | O11 | doub | 1.21Å | 1.26Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | O2 | sing | 1.34Å | 1.51Å | |
| C31 | O31 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.51Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| O1P | P | doub | 1.48Å | 1.54Å | |
| O2P | P | sing | 1.61Å | 1.56Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | P | sing | 1.61Å | 1.58Å | |
| O4P | P | sing | 1.61Å | 1.56Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3P | 106.5° | 109.5° |
| C2 | C1 | H12 | 110.2° | 109.5° |
| C2 | C1 | H11 | 110.2° | 109.5° |
| C1 | C2 | C3 | 111.8° | 109.5° |
| C1 | C2 | O2 | 111.2° | 109.5° |
| C1 | C2 | H2 | 104.2° | 109.5° |
| O3P | C1 | H12 | 110.2° | 109.5° |
| O3P | C1 | H11 | 110.2° | 109.4° |
| C1 | O3P | P | 115.2° | 123.0° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| C3 | C2 | O2 | 119.1° | 109.5° |
| C3 | C2 | H2 | 104.2° | 109.4° |
| C2 | C3 | O3 | 102.1° | 109.4° |
| C2 | C3 | H32 | 111.3° | 109.4° |
| C2 | C3 | H31 | 111.3° | 109.4° |
| O2 | C2 | H2 | 104.6° | 109.5° |
| C2 | O2 | C31 | 125.5° | 117.0° |
| O3 | C3 | H32 | 111.3° | 109.5° |
| O3 | C3 | H31 | 111.3° | 109.5° |
| C3 | O3 | C11 | 119.2° | 117.0° |
| H32 | C3 | H31 | 109.4° | 109.5° |
| C5 | C4 | O4P | 115.9° | 109.5° |
| C5 | C4 | H42 | 107.8° | 109.5° |
| C5 | C4 | H41 | 107.9° | 109.5° |
| C4 | C5 | N | 117.3° | 109.5° |
| C4 | C5 | H52 | 107.5° | 109.4° |
| C4 | C5 | H51 | 107.5° | 109.5° |
| O4P | C4 | H42 | 107.9° | 109.5° |
| O4P | C4 | H41 | 107.8° | 109.5° |
| C4 | O4P | P | 109.0° | 123.0° |
| H42 | C4 | H41 | 109.5° | 109.5° |
| N | C5 | H52 | 107.5° | 109.4° |
| N | C5 | H51 | 107.5° | 109.5° |
| C5 | N | C6 | 111.3° | 109.5° |
| C5 | N | C7 | 107.1° | 109.5° |
| C5 | N | C8 | 112.3° | 109.5° |
| H52 | C5 | H51 | 109.5° | 109.5° |
| N | C6 | H63 | 109.5° | 109.4° |
| N | C6 | H62 | 109.5° | 109.5° |
| N | C6 | H61 | 109.5° | 109.5° |
| C6 | N | C7 | 110.3° | 109.5° |
| C6 | N | C8 | 110.0° | 109.4° |
| H63 | C6 | H62 | 109.5° | 109.4° |
| H63 | C6 | H61 | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| N | C7 | H73 | 109.5° | 109.5° |
| N | C7 | H72 | 109.5° | 109.5° |
| N | C7 | H71 | 109.4° | 109.5° |
| C7 | N | C8 | 105.6° | 109.5° |
| H73 | C7 | H72 | 109.5° | 109.4° |
| H73 | C7 | H71 | 109.5° | 109.5° |
| H72 | C7 | H71 | 109.5° | 109.4° |
| N | C8 | H83 | 109.5° | 109.5° |
| N | C8 | H82 | 109.5° | 109.5° |
| N | C8 | H81 | 109.5° | 109.4° |
| H83 | C8 | H82 | 109.5° | 109.5° |
| H83 | C8 | H81 | 109.5° | 109.4° |
| H82 | C8 | H81 | 109.5° | 109.5° |
| C12 | C11 | O3 | 119.2° | 120.0° |
| C12 | C11 | O11 | 120.6° | 120.0° |
| C11 | C12 | C13 | 112.9° | 109.5° |
| C11 | C12 | H122 | 108.6° | 109.4° |
| C11 | C12 | H121 | 108.6° | 109.4° |
| O3 | C11 | O11 | 120.2° | 120.0° |
| C13 | C12 | H122 | 108.6° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C12 | C13 | C14 | 113.1° | 109.4° |
| C12 | C13 | H132 | 108.6° | 109.4° |
| C12 | C13 | H131 | 108.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.4° |
| C14 | C13 | H132 | 108.6° | 109.5° |
| C14 | C13 | H131 | 108.6° | 109.5° |
| C13 | C14 | C15 | 114.4° | 109.4° |
| C13 | C14 | H142 | 108.2° | 109.5° |
| C13 | C14 | H141 | 108.2° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| C15 | C14 | H142 | 108.2° | 109.5° |
| C15 | C14 | H141 | 108.2° | 109.4° |
| C14 | C15 | C16 | 111.9° | 109.4° |
| C14 | C15 | H152 | 108.8° | 109.5° |
| C14 | C15 | H151 | 108.9° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| C16 | C15 | H152 | 108.9° | 109.5° |
| C16 | C15 | H151 | 108.9° | 109.4° |
| C15 | C16 | C17 | 113.8° | 109.5° |
| C15 | C16 | H162 | 108.4° | 109.5° |
| C15 | C16 | H161 | 108.4° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| C17 | C16 | H162 | 108.4° | 109.4° |
| C17 | C16 | H161 | 108.4° | 109.4° |
| C16 | C17 | C18 | 112.9° | 109.5° |
| C16 | C17 | H172 | 108.6° | 109.4° |
| C16 | C17 | H171 | 108.6° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| C18 | C17 | H172 | 108.6° | 109.5° |
| C18 | C17 | H171 | 108.6° | 109.5° |
| C17 | C18 | C19 | 114.2° | 109.5° |
| C17 | C18 | H182 | 108.3° | 109.4° |
| C17 | C18 | H181 | 108.3° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| C19 | C18 | H182 | 108.3° | 109.5° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C18 | C19 | C20 | 113.5° | 109.5° |
| C18 | C19 | H192 | 108.5° | 109.5° |
| C18 | C19 | H191 | 108.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| C20 | C19 | H192 | 108.5° | 109.4° |
| C20 | C19 | H191 | 108.5° | 109.5° |
| C19 | C20 | C21 | 112.7° | 109.5° |
| C19 | C20 | H202 | 108.6° | 109.5° |
| C19 | C20 | H201 | 108.7° | 109.5° |
| H192 | C19 | H191 | 109.4° | 109.5° |
| C21 | C20 | H202 | 108.6° | 109.5° |
| C21 | C20 | H201 | 108.7° | 109.4° |
| C20 | C21 | C22 | 110.6° | 109.5° |
| C20 | C21 | H212 | 109.2° | 109.5° |
| C20 | C21 | H211 | 109.2° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| C22 | C21 | H212 | 109.2° | 109.4° |
| C22 | C21 | H211 | 109.2° | 109.4° |
| C21 | C22 | C23 | 111.5° | 109.5° |
| C21 | C22 | H222 | 108.9° | 109.5° |
| C21 | C22 | H221 | 108.9° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.0° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.5° |
| C22 | C23 | C24 | 111.5° | 109.4° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| C22 | C23 | H231 | 108.9° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| C24 | C23 | H232 | 109.0° | 109.5° |
| C24 | C23 | H231 | 108.9° | 109.5° |
| C23 | C24 | C25 | 111.5° | 109.4° |
| C23 | C24 | H242 | 109.0° | 109.5° |
| C23 | C24 | H241 | 108.9° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| C25 | C24 | H242 | 109.0° | 109.4° |
| C25 | C24 | H241 | 109.0° | 109.4° |
| C24 | C25 | C26 | 110.4° | 109.5° |
| C24 | C25 | H252 | 109.3° | 109.5° |
| C24 | C25 | H251 | 109.2° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| C26 | C25 | H252 | 109.2° | 109.5° |
| C26 | C25 | H251 | 109.2° | 109.4° |
| C25 | C26 | C27 | 111.9° | 109.5° |
| C25 | C26 | H262 | 108.9° | 109.4° |
| C25 | C26 | H261 | 108.9° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| C27 | C26 | H262 | 108.9° | 109.5° |
| C27 | C26 | H261 | 108.9° | 109.5° |
| C26 | C27 | C28 | 114.7° | 109.5° |
| C26 | C27 | H272 | 108.2° | 109.4° |
| C26 | C27 | H271 | 108.1° | 109.5° |
| H262 | C26 | H261 | 109.4° | 109.5° |
| C28 | C27 | H272 | 108.1° | 109.5° |
| C28 | C27 | H271 | 108.1° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| C32 | C31 | O2 | 121.3° | 120.0° |
| C32 | C31 | O31 | 118.8° | 120.0° |
| C31 | C32 | C33 | 111.1° | 109.5° |
| C31 | C32 | H322 | 109.1° | 109.5° |
| C31 | C32 | H321 | 109.1° | 109.5° |
| O2 | C31 | O31 | 119.9° | 120.0° |
| C33 | C32 | H322 | 109.1° | 109.5° |
| C33 | C32 | H321 | 109.1° | 109.5° |
| C32 | C33 | C34 | 111.1° | 109.5° |
| C32 | C33 | H332 | 109.0° | 109.5° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.5° |
| C34 | C33 | H332 | 109.1° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.5° |
| C33 | C34 | C35 | 113.6° | 109.5° |
| C33 | C34 | H342 | 108.4° | 109.5° |
| C33 | C34 | H341 | 108.4° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| C35 | C34 | H342 | 108.5° | 109.5° |
| C35 | C34 | H341 | 108.4° | 109.5° |
| C34 | C35 | C36 | 111.3° | 109.4° |
| C34 | C35 | H352 | 109.0° | 109.4° |
| C34 | C35 | H351 | 109.0° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| C36 | C35 | H352 | 109.0° | 109.5° |
| C36 | C35 | H351 | 109.0° | 109.5° |
| C35 | C36 | C37 | 113.8° | 109.5° |
| C35 | C36 | H362 | 108.4° | 109.5° |
| C35 | C36 | H361 | 108.3° | 109.5° |
| H352 | C35 | H351 | 109.4° | 109.5° |
| C37 | C36 | H362 | 108.4° | 109.5° |
| C37 | C36 | H361 | 108.4° | 109.5° |
| C36 | C37 | C38 | 111.8° | 109.5° |
| C36 | C37 | H372 | 108.9° | 109.5° |
| C36 | C37 | H371 | 108.9° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.4° |
| C38 | C37 | H372 | 108.9° | 109.5° |
| C38 | C37 | H371 | 108.9° | 109.5° |
| C37 | C38 | C39 | 110.7° | 109.5° |
| C37 | C38 | H382 | 109.1° | 109.5° |
| C37 | C38 | H381 | 109.1° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| C39 | C38 | H382 | 109.2° | 109.4° |
| C39 | C38 | H381 | 109.2° | 109.5° |
| C38 | C39 | C40 | 112.2° | 109.5° |
| C38 | C39 | H392 | 108.8° | 109.5° |
| C38 | C39 | H391 | 108.8° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.4° |
| C40 | C39 | H392 | 108.8° | 109.5° |
| C40 | C39 | H391 | 108.8° | 109.5° |
| C39 | C40 | C41 | 113.0° | 109.5° |
| C39 | C40 | H402 | 108.6° | 109.5° |
| C39 | C40 | H401 | 108.6° | 109.5° |
| H392 | C39 | H391 | 109.4° | 109.4° |
| C41 | C40 | H402 | 108.6° | 109.5° |
| C41 | C40 | H401 | 108.6° | 109.5° |
| C40 | C41 | C42 | 110.9° | 109.5° |
| C40 | C41 | H412 | 109.1° | 109.5° |
| C40 | C41 | H411 | 109.1° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| C42 | C41 | H412 | 109.1° | 109.5° |
| C42 | C41 | H411 | 109.1° | 109.5° |
| C41 | C42 | C43 | 111.1° | 109.5° |
| C41 | C42 | H422 | 109.1° | 109.5° |
| C41 | C42 | H421 | 109.1° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| C43 | C42 | H422 | 109.1° | 109.5° |
| C43 | C42 | H421 | 109.1° | 109.5° |
| C42 | C43 | C44 | 110.9° | 109.5° |
| C42 | C43 | H432 | 109.1° | 109.5° |
| C42 | C43 | H431 | 109.1° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| C44 | C43 | H432 | 109.1° | 109.5° |
| C44 | C43 | H431 | 109.1° | 109.5° |
| C43 | C44 | C45 | 112.4° | 109.4° |
| C43 | C44 | H442 | 108.7° | 109.5° |
| C43 | C44 | H441 | 108.7° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| C45 | C44 | H442 | 108.7° | 109.5° |
| C45 | C44 | H441 | 108.7° | 109.5° |
| C44 | C45 | C46 | 109.9° | 109.4° |
| C44 | C45 | H452 | 109.4° | 109.4° |
| C44 | C45 | H451 | 109.4° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| C46 | C45 | H452 | 109.4° | 109.4° |
| C46 | C45 | H451 | 109.4° | 109.5° |
| C45 | C46 | C47 | 111.8° | 109.5° |
| C45 | C46 | H462 | 108.9° | 109.5° |
| C45 | C46 | H461 | 108.9° | 109.5° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| C47 | C46 | H462 | 108.9° | 109.4° |
| C47 | C46 | H461 | 108.9° | 109.5° |
| C46 | C47 | C48 | 112.3° | 109.5° |
| C46 | C47 | H472 | 108.8° | 109.4° |
| C46 | C47 | H471 | 108.8° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| C48 | C47 | H472 | 108.8° | 109.5° |
| C48 | C47 | H471 | 108.8° | 109.5° |
| C47 | C48 | H483 | 109.5° | 109.5° |
| C47 | C48 | H482 | 109.4° | 109.5° |
| C47 | C48 | H481 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H483 | C48 | H482 | 109.5° | 109.5° |
| H483 | C48 | H481 | 109.5° | 109.4° |
| H482 | C48 | H481 | 109.5° | 109.5° |
| O1P | P | O2P | 109.5° | 109.5° |
| O1P | P | O3P | 110.5° | 109.5° |
| O1P | P | O4P | 108.0° | 109.4° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O2P | P | O3P | 110.9° | 109.5° |
| O2P | P | O4P | 110.3° | 109.4° |
| O3P | P | O4P | 107.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3P | H12 | 119.5° | 120.0° |
| C2 | C1 | O3P | H11 | 119.5° | 120.0° |
| C2 | C1 | H12 | H11 | 121.4° | 120.0° |
| C1 | C2 | C3 | O2 | 132.0° | 120.0° |
| C1 | C2 | C3 | H2 | 112.0° | 120.0° |
| C1 | C2 | O2 | H2 | 111.9° | 120.0° |
| C1 | C2 | C3 | O3 | 80.5° | 56.0° |
| C1 | C2 | C3 | H32 | 38.4° | 176.0° |
| C1 | C2 | C3 | H31 | 160.7° | 63.9° |
| C1 | C2 | O2 | C31 | 69.0° | 90.0° |
| C2 | C1 | O3P | P | 159.4° | 175.0° |
| O3P | C1 | H12 | H11 | 121.4° | 119.9° |
| O3P | C1 | C2 | C3 | 139.4° | 56.1° |
| O3P | C1 | C2 | O2 | 84.8° | 63.9° |
| O3P | C1 | C2 | H2 | 27.4° | 176.1° |
| C1 | O3P | P | O1P | 75.4° | 55.5° |
| C1 | O3P | P | O2P | 46.1° | 64.5° |
| C1 | O3P | P | O4P | 166.9° | 175.5° |
| H12 | C1 | C2 | C3 | 101.1° | 63.9° |
| H12 | C1 | C2 | O2 | 34.7° | 176.1° |
| H12 | C1 | C2 | H2 | 146.9° | 56.1° |
| H12 | C1 | O3P | P | 81.1° | 65.0° |
| H11 | C1 | C2 | C3 | 19.8° | 176.1° |
| H11 | C1 | C2 | O2 | 155.7° | 56.1° |
| H11 | C1 | C2 | H2 | 92.2° | 64.0° |
| H11 | C1 | O3P | P | 39.9° | 55.0° |
| C3 | C2 | O2 | H2 | 115.8° | 119.9° |
| C2 | C3 | O3 | H32 | 118.8° | 120.0° |
| C2 | C3 | O3 | H31 | 118.8° | 119.9° |
| C2 | C3 | H32 | H31 | 123.4° | 120.0° |
| C2 | C3 | O3 | C11 | 160.8° | 175.1° |
| C3 | C2 | O2 | C31 | 63.3° | 150.0° |
| O2 | C2 | C3 | O3 | 147.5° | 64.0° |
| O2 | C2 | C3 | H32 | 93.7° | 56.0° |
| O2 | C2 | C3 | H31 | 28.7° | 176.1° |
| C2 | O2 | C31 | C32 | 4.5° | 180.0° |
| C2 | O2 | C31 | O31 | 178.1° | 0.0° |
| H2 | C2 | C3 | O3 | 31.5° | 176.0° |
| H2 | C2 | C3 | H32 | 150.3° | 64.0° |
| H2 | C2 | C3 | H31 | 87.3° | 56.1° |
| H2 | C2 | O2 | C31 | 179.1° | 30.0° |
| O3 | C3 | H32 | H31 | 123.4° | 120.1° |
| C3 | O3 | C11 | C12 | 2.8° | 174.8° |
| C3 | O3 | C11 | O11 | 179.0° | 5.2° |
| H32 | C3 | O3 | C11 | 80.4° | 55.1° |
| H31 | C3 | O3 | C11 | 42.0° | 65.0° |
| C5 | C4 | O4P | H42 | 120.9° | 120.0° |
| C5 | C4 | O4P | H41 | 120.9° | 120.0° |
| C5 | C4 | H42 | H41 | 117.1° | 120.0° |
| C4 | C5 | N | H52 | 121.1° | 120.0° |
| C4 | C5 | N | H51 | 121.1° | 120.0° |
| C4 | C5 | H52 | H51 | 116.4° | 120.0° |
| C4 | C5 | N | C6 | 57.3° | 65.2° |
| C4 | C5 | N | C7 | 177.9° | 174.8° |
| C4 | C5 | N | C8 | 66.5° | 54.8° |
| C5 | C4 | O4P | P | 178.5° | 175.1° |
| O4P | C4 | H42 | H41 | 117.1° | 120.0° |
| O4P | C4 | C5 | N | 27.4° | 175.1° |
| O4P | C4 | C5 | H52 | 93.7° | 55.2° |
| O4P | C4 | C5 | H51 | 148.5° | 64.9° |
| C4 | O4P | P | O1P | 82.4° | 55.5° |
| C4 | O4P | P | O2P | 158.1° | 64.5° |
| C4 | O4P | P | O3P | 36.9° | 175.6° |
| H42 | C4 | C5 | N | 93.5° | 55.1° |
| H42 | C4 | C5 | H52 | 145.3° | 64.8° |
| H42 | C4 | C5 | H51 | 27.6° | 175.1° |
| H42 | C4 | O4P | P | 60.5° | 64.9° |
| H41 | C4 | C5 | N | 148.3° | 64.9° |
| H41 | C4 | C5 | H52 | 27.2° | 175.1° |
| H41 | C4 | C5 | H51 | 90.5° | 55.1° |
| H41 | C4 | O4P | P | 57.6° | 55.1° |
| N | C5 | H52 | H51 | 116.4° | 120.0° |
| C5 | N | C6 | C7 | 118.7° | 120.0° |
| C5 | N | C6 | C8 | 125.1° | 120.0° |
| C5 | N | C6 | H63 | 180.0° | 60.1° |
| C5 | N | C6 | H62 | 60.0° | 180.0° |
| C5 | N | C6 | H61 | 60.0° | 60.0° |
| C5 | N | C7 | C8 | 119.9° | 120.0° |
| C5 | N | C7 | H73 | 180.0° | 60.0° |
| C5 | N | C7 | H72 | 60.0° | 180.0° |
| C5 | N | C7 | H71 | 60.0° | 60.0° |
| C5 | N | C8 | H83 | 180.0° | 66.3° |
| C5 | N | C8 | H82 | 60.0° | 173.7° |
| C5 | N | C8 | H81 | 60.0° | 53.7° |
| H52 | C5 | N | C6 | 178.4° | 54.8° |
| H52 | C5 | N | C7 | 60.9° | 65.3° |
| H52 | C5 | N | C8 | 54.6° | 174.7° |
| H51 | C5 | N | C6 | 63.8° | 174.8° |
| H51 | C5 | N | C7 | 56.8° | 54.8° |
| H51 | C5 | N | C8 | 172.3° | 65.2° |
| N | C6 | H63 | H62 | 120.0° | 120.0° |
| N | C6 | H63 | H61 | 120.0° | 120.0° |
| N | C6 | H62 | H61 | 120.0° | 120.0° |
| C6 | N | C7 | C8 | 118.8° | 119.9° |
| C6 | N | C7 | H73 | 58.7° | 179.9° |
| C6 | N | C7 | H72 | 178.7° | 60.0° |
| C6 | N | C7 | H71 | 61.3° | 60.0° |
| C6 | N | C8 | H83 | 55.4° | 53.7° |
| C6 | N | C8 | H82 | 64.6° | 66.3° |
| C6 | N | C8 | H81 | 175.4° | 173.7° |
| H63 | C6 | H62 | H61 | 120.0° | 120.0° |
| H63 | C6 | N | C7 | 61.3° | 60.0° |
| H63 | C6 | N | C8 | 54.9° | 180.0° |
| H62 | C6 | N | C7 | 58.8° | 59.9° |
| H62 | C6 | N | C8 | 174.9° | 60.0° |
| H61 | C6 | N | C7 | 178.7° | 180.0° |
| H61 | C6 | N | C8 | 65.1° | 60.0° |
| N | C7 | H73 | H72 | 120.0° | 120.0° |
| N | C7 | H73 | H71 | 120.0° | 120.0° |
| N | C7 | H72 | H71 | 120.0° | 120.0° |
| C7 | N | C8 | H83 | 63.6° | 173.7° |
| C7 | N | C8 | H82 | 176.4° | 53.7° |
| C7 | N | C8 | H81 | 56.4° | 66.3° |
| H73 | C7 | H72 | H71 | 120.0° | 120.0° |
| H73 | C7 | N | C8 | 60.1° | 60.0° |
| H72 | C7 | N | C8 | 59.9° | 60.0° |
| H71 | C7 | N | C8 | 179.9° | 179.9° |
| N | C8 | H83 | H82 | 120.0° | 120.1° |
| N | C8 | H83 | H81 | 120.0° | 120.0° |
| N | C8 | H82 | H81 | 120.0° | 120.0° |
| H83 | C8 | H82 | H81 | 120.0° | 120.0° |
| C12 | C11 | O3 | O11 | 178.2° | 180.0° |
| C11 | C12 | C13 | H122 | 120.5° | 120.0° |
| C11 | C12 | C13 | H121 | 120.5° | 120.0° |
| C11 | C12 | H122 | H121 | 118.4° | 119.9° |
| C11 | C12 | C13 | C14 | 71.8° | 180.0° |
| C11 | C12 | C13 | H132 | 48.7° | 60.1° |
| C11 | C12 | C13 | H131 | 167.6° | 60.0° |
| O3 | C11 | C12 | C13 | 157.9° | 174.8° |
| O3 | C11 | C12 | H122 | 37.4° | 54.8° |
| O3 | C11 | C12 | H121 | 81.6° | 65.1° |
| O11 | C11 | C12 | C13 | 20.3° | 5.3° |
| O11 | C11 | C12 | H122 | 140.8° | 125.3° |
| O11 | C11 | C12 | H121 | 100.3° | 114.8° |
| C13 | C12 | H122 | H121 | 118.5° | 120.1° |
| C12 | C13 | C14 | H132 | 120.6° | 119.9° |
| C12 | C13 | C14 | H131 | 120.5° | 120.0° |
| C12 | C13 | H132 | H131 | 118.3° | 120.0° |
| C12 | C13 | C14 | C15 | 148.3° | 180.0° |
| C12 | C13 | C14 | H142 | 91.0° | 60.0° |
| C12 | C13 | C14 | H141 | 27.6° | 60.0° |
| H122 | C12 | C13 | C14 | 167.7° | 60.0° |
| H122 | C12 | C13 | H132 | 71.8° | 180.0° |
| H122 | C12 | C13 | H131 | 47.1° | 60.0° |
| H121 | C12 | C13 | C14 | 48.7° | 60.0° |
| H121 | C12 | C13 | H132 | 169.2° | 60.0° |
| H121 | C12 | C13 | H131 | 71.9° | 180.0° |
| C14 | C13 | H132 | H131 | 118.4° | 120.1° |
| C13 | C14 | C15 | H142 | 120.7° | 120.0° |
| C13 | C14 | C15 | H141 | 120.7° | 119.9° |
| C13 | C14 | H142 | H141 | 117.7° | 120.0° |
| C13 | C14 | C15 | C16 | 76.9° | NaN° |
| C13 | C14 | C15 | H152 | 162.7° | 60.0° |
| C13 | C14 | C15 | H151 | 43.5° | 60.1° |
| H132 | C13 | C14 | C15 | 27.7° | 60.0° |
| H132 | C13 | C14 | H142 | 148.5° | 180.0° |
| H132 | C13 | C14 | H141 | 93.0° | 59.9° |
| H131 | C13 | C14 | C15 | 91.2° | 60.0° |
| H131 | C13 | C14 | H142 | 29.5° | 60.0° |
| H131 | C13 | C14 | H141 | 148.1° | 180.0° |
| C15 | C14 | H142 | H141 | 117.7° | 120.0° |
| C14 | C15 | C16 | H152 | 120.3° | 120.0° |
| C14 | C15 | C16 | H151 | 120.4° | 120.0° |
| C14 | C15 | H152 | H151 | 118.9° | 120.1° |
| C14 | C15 | C16 | C17 | 119.6° | 180.0° |
| C14 | C15 | C16 | H162 | 119.8° | 60.0° |
| C14 | C15 | C16 | H161 | 1.1° | 60.0° |
| H142 | C14 | C15 | C16 | 43.8° | 60.0° |
| H142 | C14 | C15 | H152 | 76.6° | 180.0° |
| H142 | C14 | C15 | H151 | 164.2° | 59.9° |
| H141 | C14 | C15 | C16 | 162.3° | 60.1° |
| H141 | C14 | C15 | H152 | 42.0° | 59.9° |
| H141 | C14 | C15 | H151 | 77.3° | 180.0° |
| C16 | C15 | H152 | H151 | 118.9° | 120.0° |
| C15 | C16 | C17 | H162 | 120.6° | 120.0° |
| C15 | C16 | C17 | H161 | 120.6° | 120.0° |
| C15 | C16 | H162 | H161 | 118.0° | 120.1° |
| C15 | C16 | C17 | C18 | 111.2° | 180.0° |
| C15 | C16 | C17 | H172 | 9.3° | 59.9° |
| C15 | C16 | C17 | H171 | 128.4° | 60.0° |
| H152 | C15 | C16 | C17 | 0.8° | 60.0° |
| H152 | C15 | C16 | H162 | 119.8° | 180.0° |
| H152 | C15 | C16 | H161 | 121.4° | 60.0° |
| H151 | C15 | C16 | C17 | 120.0° | 60.0° |
| H151 | C15 | C16 | H162 | 0.6° | 60.0° |
| H151 | C15 | C16 | H161 | 119.3° | 180.0° |
| C17 | C16 | H162 | H161 | 118.1° | 120.0° |
| C16 | C17 | C18 | H172 | 120.5° | 120.0° |
| C16 | C17 | C18 | H171 | 120.5° | 120.0° |
| C16 | C17 | H172 | H171 | 118.4° | 119.9° |
| C16 | C17 | C18 | C19 | 99.7° | 180.0° |
| C16 | C17 | C18 | H182 | 139.5° | 60.0° |
| C16 | C17 | C18 | H181 | 21.0° | 60.0° |
| H162 | C16 | C17 | C18 | 128.2° | 60.0° |
| H162 | C16 | C17 | H172 | 111.3° | 179.9° |
| H162 | C16 | C17 | H171 | 7.7° | 60.0° |
| H161 | C16 | C17 | C18 | 9.5° | 60.0° |
| H161 | C16 | C17 | H172 | 130.0° | 60.1° |
| H161 | C16 | C17 | H171 | 111.0° | 180.0° |
| C18 | C17 | H172 | H171 | 118.4° | 120.0° |
| C17 | C18 | C19 | H182 | 120.7° | 120.0° |
| C17 | C18 | C19 | H181 | 120.7° | 120.0° |
| C17 | C18 | H182 | H181 | 117.8° | 120.0° |
| C17 | C18 | C19 | C20 | 38.2° | 180.0° |
| C17 | C18 | C19 | H192 | 158.8° | 60.0° |
| C17 | C18 | C19 | H191 | 82.4° | 60.0° |
| H172 | C17 | C18 | C19 | 20.8° | 60.0° |
| H172 | C17 | C18 | H182 | 99.9° | 180.0° |
| H172 | C17 | C18 | H181 | 141.5° | 60.0° |
| H171 | C17 | C18 | C19 | 139.8° | 60.0° |
| H171 | C17 | C18 | H182 | 19.1° | 60.0° |
| H171 | C17 | C18 | H181 | 99.5° | NaN° |
| C19 | C18 | H182 | H181 | 117.8° | 120.0° |
| C18 | C19 | C20 | H192 | 120.6° | 120.0° |
| C18 | C19 | C20 | H191 | 120.6° | 120.0° |
| C18 | C19 | H192 | H191 | 118.1° | 120.0° |
| C18 | C19 | C20 | C21 | 140.0° | 180.0° |
| C18 | C19 | C20 | H202 | 99.5° | 60.0° |
| C18 | C19 | C20 | H201 | 19.5° | 60.0° |
| H182 | C18 | C19 | C20 | 82.5° | 60.0° |
| H182 | C18 | C19 | H192 | 38.1° | 180.0° |
| H182 | C18 | C19 | H191 | 156.9° | 60.0° |
| H181 | C18 | C19 | C20 | 158.9° | 60.0° |
| H181 | C18 | C19 | H192 | 80.5° | 60.0° |
| H181 | C18 | C19 | H191 | 38.3° | 180.0° |
| C20 | C19 | H192 | H191 | 118.2° | 120.0° |
| C19 | C20 | C21 | H202 | 120.5° | 120.1° |
| C19 | C20 | C21 | H201 | 120.5° | 120.0° |
| C19 | C20 | H202 | H201 | 118.5° | 120.1° |
| C19 | C20 | C21 | C22 | 118.3° | 180.0° |
| C19 | C20 | C21 | H212 | 1.9° | 60.0° |
| C19 | C20 | C21 | H211 | 121.5° | 60.0° |
| H192 | C19 | C20 | C21 | 19.4° | 60.0° |
| H192 | C19 | C20 | H202 | 139.9° | 180.0° |
| H192 | C19 | C20 | H201 | 101.1° | 60.0° |
| H191 | C19 | C20 | C21 | 99.4° | 60.0° |
| H191 | C19 | C20 | H202 | 21.1° | 60.0° |
| H191 | C19 | C20 | H201 | 140.2° | 180.0° |
| C21 | C20 | H202 | H201 | 118.5° | 119.9° |
| C20 | C21 | C22 | H212 | 120.2° | 120.0° |
| C20 | C21 | C22 | H211 | 120.2° | 120.0° |
| C20 | C21 | H212 | H211 | 119.5° | 120.0° |
| C20 | C21 | C22 | C23 | 89.0° | 180.0° |
| C20 | C21 | C22 | H222 | 31.3° | 59.9° |
| C20 | C21 | C22 | H221 | 150.6° | 60.0° |
| H202 | C20 | C21 | C22 | 121.2° | 59.9° |
| H202 | C20 | C21 | H212 | 118.6° | 179.9° |
| H202 | C20 | C21 | H211 | 1.1° | 60.0° |
| H201 | C20 | C21 | C22 | 2.2° | 60.0° |
| H201 | C20 | C21 | H212 | 122.3° | 60.0° |
| H201 | C20 | C21 | H211 | 118.0° | 180.0° |
| C22 | C21 | H212 | H211 | 119.5° | 119.9° |
| C21 | C22 | C23 | H222 | 120.3° | 120.0° |
| C21 | C22 | C23 | H221 | 120.3° | 120.0° |
| C21 | C22 | H222 | H221 | 119.0° | 119.9° |
| C21 | C22 | C23 | C24 | 115.8° | 180.0° |
| C21 | C22 | C23 | H232 | 4.5° | 60.0° |
| C21 | C22 | C23 | H231 | 123.9° | 60.0° |
| H212 | C21 | C22 | C23 | 150.8° | 60.0° |
| H212 | C21 | C22 | H222 | 88.9° | 180.0° |
| H212 | C21 | C22 | H221 | 30.5° | 60.0° |
| H211 | C21 | C22 | C23 | 31.1° | 60.0° |
| H211 | C21 | C22 | H222 | 151.4° | 60.1° |
| H211 | C21 | C22 | H221 | 89.2° | 180.0° |
| C23 | C22 | H222 | H221 | 119.1° | 120.0° |
| C22 | C23 | C24 | H232 | 120.3° | 120.0° |
| C22 | C23 | C24 | H231 | 120.3° | 120.0° |
| C22 | C23 | H232 | H231 | 119.1° | 120.0° |
| C22 | C23 | C24 | C25 | 134.1° | 180.0° |
| C22 | C23 | C24 | H242 | 13.8° | 60.0° |
| C22 | C23 | C24 | H241 | 105.6° | 60.0° |
| H222 | C22 | C23 | C24 | 123.9° | 60.0° |
| H222 | C22 | C23 | H232 | 115.8° | 180.0° |
| H222 | C22 | C23 | H231 | 3.6° | 60.0° |
| H221 | C22 | C23 | C24 | 4.5° | 60.0° |
| H221 | C22 | C23 | H232 | 124.8° | 60.0° |
| H221 | C22 | C23 | H231 | 115.8° | 180.0° |
| C24 | C23 | H232 | H231 | 119.1° | 120.0° |
| C23 | C24 | C25 | H242 | 120.3° | 120.0° |
| C23 | C24 | C25 | H241 | 120.3° | 120.0° |
| C23 | C24 | H242 | H241 | 119.0° | 120.1° |
| C23 | C24 | C25 | C26 | 177.3° | 180.0° |
| C23 | C24 | C25 | H252 | 62.6° | 60.0° |
| C23 | C24 | C25 | H251 | 57.2° | 60.0° |
| H232 | C23 | C24 | C25 | 105.6° | 60.0° |
| H232 | C23 | C24 | H242 | 134.1° | 180.0° |
| H232 | C23 | C24 | H241 | 14.7° | 60.0° |
| H231 | C23 | C24 | C25 | 13.8° | 60.0° |
| H231 | C23 | C24 | H242 | 106.5° | 59.9° |
| H231 | C23 | C24 | H241 | 134.1° | 180.0° |
| C25 | C24 | H242 | H241 | 119.1° | 120.0° |
| C24 | C25 | C26 | H252 | 120.2° | 120.1° |
| C24 | C25 | C26 | H251 | 120.1° | 120.0° |
| C24 | C25 | H252 | H251 | 119.6° | 120.0° |
| C24 | C25 | C26 | C27 | 175.9° | 180.0° |
| C24 | C25 | C26 | H262 | 63.7° | 60.0° |
| C24 | C25 | C26 | H261 | 55.6° | 60.0° |
| H242 | C24 | C25 | C26 | 57.0° | 60.0° |
| H242 | C24 | C25 | H252 | 177.1° | 180.0° |
| H242 | C24 | C25 | H251 | 63.1° | 60.0° |
| H241 | C24 | C25 | C26 | 62.4° | 60.0° |
| H241 | C24 | C25 | H252 | 57.7° | 60.0° |
| H241 | C24 | C25 | H251 | 177.5° | 180.0° |
| C26 | C25 | H252 | H251 | 119.6° | 119.9° |
| C25 | C26 | C27 | H262 | 120.4° | 120.0° |
| C25 | C26 | C27 | H261 | 120.4° | 120.0° |
| C25 | C26 | H262 | H261 | 118.9° | 119.9° |
| C25 | C26 | C27 | C28 | 96.1° | 179.9° |
| C25 | C26 | C27 | H272 | 143.1° | 60.0° |
| C25 | C26 | C27 | H271 | 24.7° | 60.0° |
| H252 | C25 | C26 | C27 | 55.8° | 60.0° |
| H252 | C25 | C26 | H262 | 176.2° | 180.0° |
| H252 | C25 | C26 | H261 | 64.6° | 60.1° |
| H251 | C25 | C26 | C27 | 63.9° | 60.0° |
| H251 | C25 | C26 | H262 | 56.5° | 60.0° |
| H251 | C25 | C26 | H261 | 175.7° | 180.0° |
| C27 | C26 | H262 | H261 | 118.9° | 120.1° |
| C26 | C27 | C28 | H272 | 120.8° | 120.0° |
| C26 | C27 | C28 | H271 | 120.8° | 120.0° |
| C26 | C27 | H272 | H271 | 117.6° | 120.0° |
| C26 | C27 | C28 | H283 | 180.0° | 180.0° |
| C26 | C27 | C28 | H282 | 60.0° | 60.0° |
| C26 | C27 | C28 | H281 | 60.0° | 60.0° |
| H262 | C26 | C27 | C28 | 24.3° | 60.1° |
| H262 | C26 | C27 | H272 | 96.5° | 180.0° |
| H262 | C26 | C27 | H271 | 145.1° | 60.0° |
| H261 | C26 | C27 | C28 | 143.5° | 60.0° |
| H261 | C26 | C27 | H272 | 22.8° | 60.0° |
| H261 | C26 | C27 | H271 | 95.7° | 180.0° |
| C28 | C27 | H272 | H271 | 117.6° | 120.0° |
| C27 | C28 | H283 | H282 | 120.0° | 120.0° |
| C27 | C28 | H283 | H281 | 120.0° | 120.0° |
| C27 | C28 | H282 | H281 | 120.0° | 120.0° |
| H272 | C27 | C28 | H283 | 59.2° | 60.0° |
| H272 | C27 | C28 | H282 | 179.2° | 180.0° |
| H272 | C27 | C28 | H281 | 60.8° | 60.0° |
| H271 | C27 | C28 | H283 | 59.2° | 60.0° |
| H271 | C27 | C28 | H282 | 60.8° | 60.0° |
| H271 | C27 | C28 | H281 | 179.2° | 180.0° |
| H283 | C28 | H282 | H281 | 120.0° | 120.0° |
| C32 | C31 | O2 | O31 | 177.4° | 179.9° |
| C31 | C32 | C33 | H322 | 120.2° | 120.0° |
| C31 | C32 | C33 | H321 | 120.3° | 120.0° |
| C31 | C32 | H322 | H321 | 119.3° | 120.0° |
| C31 | C32 | C33 | C34 | 120.7° | 180.0° |
| C31 | C32 | C33 | H332 | 119.0° | 60.0° |
| C31 | C32 | C33 | H331 | 0.4° | 60.0° |
| O2 | C31 | C32 | C33 | 165.3° | 180.0° |
| O2 | C31 | C32 | H322 | 45.0° | 60.0° |
| O2 | C31 | C32 | H321 | 74.5° | 60.0° |
| O31 | C31 | C32 | C33 | 12.2° | 0.0° |
| O31 | C31 | C32 | H322 | 132.4° | 120.0° |
| O31 | C31 | C32 | H321 | 108.1° | 120.0° |
| C33 | C32 | H322 | H321 | 119.3° | 120.0° |
| C32 | C33 | C34 | H332 | 120.2° | 120.0° |
| C32 | C33 | C34 | H331 | 120.3° | 120.0° |
| C32 | C33 | H332 | H331 | 119.2° | 120.0° |
| C32 | C33 | C34 | C35 | 123.8° | 180.0° |
| C32 | C33 | C34 | H342 | 3.1° | 60.0° |
| C32 | C33 | C34 | H341 | 115.6° | 60.0° |
| H322 | C32 | C33 | C34 | 0.5° | 60.0° |
| H322 | C32 | C33 | H332 | 120.7° | NaN° |
| H322 | C32 | C33 | H331 | 119.8° | 60.0° |
| H321 | C32 | C33 | C34 | 119.0° | 60.0° |
| H321 | C32 | C33 | H332 | 1.2° | 60.0° |
| H321 | C32 | C33 | H331 | 120.7° | 180.0° |
| C34 | C33 | H332 | H331 | 119.3° | 120.0° |
| C33 | C34 | C35 | H342 | 120.6° | 120.0° |
| C33 | C34 | C35 | H341 | 120.6° | 120.0° |
| C33 | C34 | H342 | H341 | 118.1° | 120.0° |
| C33 | C34 | C35 | C36 | 171.1° | 180.0° |
| C33 | C34 | C35 | H352 | 50.8° | 60.0° |
| C33 | C34 | C35 | H351 | 68.6° | 60.0° |
| H332 | C33 | C34 | C35 | 116.0° | 60.0° |
| H332 | C33 | C34 | H342 | 123.4° | 180.0° |
| H332 | C33 | C34 | H341 | 4.6° | 60.0° |
| H331 | C33 | C34 | C35 | 3.5° | 60.0° |
| H331 | C33 | C34 | H342 | 117.1° | 60.0° |
| H331 | C33 | C34 | H341 | 124.1° | 180.0° |
| C35 | C34 | H342 | H341 | 118.2° | 120.0° |
| C34 | C35 | C36 | H352 | 120.3° | 119.9° |
| C34 | C35 | C36 | H351 | 120.3° | 120.0° |
| C34 | C35 | H352 | H351 | 119.2° | 120.0° |
| C34 | C35 | C36 | C37 | 64.3° | 180.0° |
| C34 | C35 | C36 | H362 | 56.4° | 60.0° |
| C34 | C35 | C36 | H361 | 175.1° | 60.0° |
| H342 | C34 | C35 | C36 | 68.3° | 60.0° |
| H342 | C34 | C35 | H352 | 171.4° | 180.0° |
| H342 | C34 | C35 | H351 | 52.0° | 60.0° |
| H341 | C34 | C35 | C36 | 50.5° | 60.0° |
| H341 | C34 | C35 | H352 | 69.8° | 60.0° |
| H341 | C34 | C35 | H351 | 170.8° | 180.0° |
| C36 | C35 | H352 | H351 | 119.2° | 120.0° |
| C35 | C36 | C37 | H362 | 120.6° | 120.0° |
| C35 | C36 | C37 | H361 | 120.6° | 120.0° |
| C35 | C36 | H362 | H361 | 118.0° | 120.0° |
| C35 | C36 | C37 | C38 | 79.6° | 180.0° |
| C35 | C36 | C37 | H372 | 40.8° | 60.0° |
| C35 | C36 | C37 | H371 | 160.1° | 60.0° |
| H352 | C35 | C36 | C37 | 175.5° | 60.0° |
| H352 | C35 | C36 | H362 | 63.9° | 179.9° |
| H352 | C35 | C36 | H361 | 54.8° | 59.9° |
| H351 | C35 | C36 | C37 | 56.1° | 60.0° |
| H351 | C35 | C36 | H362 | 176.7° | 60.0° |
| H351 | C35 | C36 | H361 | 64.6° | 180.0° |
| C37 | C36 | H362 | H361 | 118.0° | 120.0° |
| C36 | C37 | C38 | H372 | 120.4° | 120.0° |
| C36 | C37 | C38 | H371 | 120.3° | 120.0° |
| C36 | C37 | H372 | H371 | 118.9° | 120.0° |
| C36 | C37 | C38 | C39 | 169.0° | 180.0° |
| C36 | C37 | C38 | H382 | 48.9° | 60.0° |
| C36 | C37 | C38 | H381 | 70.8° | 60.0° |
| H362 | C36 | C37 | C38 | 159.8° | 60.0° |
| H362 | C36 | C37 | H372 | 79.9° | 180.0° |
| H362 | C36 | C37 | H371 | 39.5° | 60.0° |
| H361 | C36 | C37 | C38 | 41.1° | 60.0° |
| H361 | C36 | C37 | H372 | 161.4° | 60.0° |
| H361 | C36 | C37 | H371 | 79.3° | 180.0° |
| C38 | C37 | H372 | H371 | 118.9° | 120.0° |
| C37 | C38 | C39 | H382 | 120.2° | 120.1° |
| C37 | C38 | C39 | H381 | 120.2° | 120.1° |
| C37 | C38 | H382 | H381 | 119.4° | 120.1° |
| C37 | C38 | C39 | C40 | 149.9° | 180.0° |
| C37 | C38 | C39 | H392 | 29.5° | 60.0° |
| C37 | C38 | C39 | H391 | 89.6° | 60.0° |
| H372 | C37 | C38 | C39 | 70.6° | 60.0° |
| H372 | C37 | C38 | H382 | 169.2° | 180.0° |
| H372 | C37 | C38 | H381 | 49.6° | 60.0° |
| H371 | C37 | C38 | C39 | 48.7° | 60.0° |
| H371 | C37 | C38 | H382 | 71.5° | 60.0° |
| H371 | C37 | C38 | H381 | 168.9° | 180.0° |
| C39 | C38 | H382 | H381 | 119.4° | 119.9° |
| C38 | C39 | C40 | H392 | 120.4° | 120.0° |
| C38 | C39 | C40 | H391 | 120.4° | 120.0° |
| C38 | C39 | H392 | H391 | 118.8° | 120.0° |
| C38 | C39 | C40 | C41 | 92.7° | 180.0° |
| C38 | C39 | C40 | H402 | 27.8° | 60.0° |
| C38 | C39 | C40 | H401 | 146.8° | 60.0° |
| H382 | C38 | C39 | C40 | 89.9° | 59.9° |
| H382 | C38 | C39 | H392 | 149.7° | 180.0° |
| H382 | C38 | C39 | H391 | 30.5° | 60.1° |
| H381 | C38 | C39 | C40 | 29.8° | 59.9° |
| H381 | C38 | C39 | H392 | 90.7° | 60.1° |
| H381 | C38 | C39 | H391 | 150.2° | 179.9° |
| C40 | C39 | H392 | H391 | 118.7° | 120.0° |
| C39 | C40 | C41 | H402 | 120.5° | 120.0° |
| C39 | C40 | C41 | H401 | 120.5° | 120.0° |
| C39 | C40 | H402 | H401 | 118.4° | 120.0° |
| C39 | C40 | C41 | C42 | 144.2° | 180.0° |
| C39 | C40 | C41 | H412 | 24.0° | 60.0° |
| C39 | C40 | C41 | H411 | 95.6° | 60.0° |
| H392 | C39 | C40 | C41 | 146.9° | 60.0° |
| H392 | C39 | C40 | H402 | 92.6° | 180.0° |
| H392 | C39 | C40 | H401 | 26.3° | 60.0° |
| H391 | C39 | C40 | C41 | 27.7° | 60.0° |
| H391 | C39 | C40 | H402 | 148.2° | 60.0° |
| H391 | C39 | C40 | H401 | 92.8° | 180.0° |
| C41 | C40 | H402 | H401 | 118.4° | 120.0° |
| C40 | C41 | C42 | H412 | 120.2° | 120.0° |
| C40 | C41 | C42 | H411 | 120.2° | 120.0° |
| C40 | C41 | H412 | H411 | 119.3° | 120.0° |
| C40 | C41 | C42 | C43 | 131.9° | 180.0° |
| C40 | C41 | C42 | H422 | 11.7° | 60.0° |
| C40 | C41 | C42 | H421 | 107.9° | 60.0° |
| H402 | C40 | C41 | C42 | 95.3° | 60.0° |
| H402 | C40 | C41 | H412 | 144.5° | 180.0° |
| H402 | C40 | C41 | H411 | 24.9° | 60.0° |
| H401 | C40 | C41 | C42 | 23.7° | 60.0° |
| H401 | C40 | C41 | H412 | 96.5° | 60.0° |
| H401 | C40 | C41 | H411 | 143.9° | 180.0° |
| C42 | C41 | H412 | H411 | 119.3° | 120.0° |
| C41 | C42 | C43 | H422 | 120.2° | 120.0° |
| C41 | C42 | C43 | H421 | 120.3° | 120.0° |
| C41 | C42 | H422 | H421 | 119.3° | 120.0° |
| C41 | C42 | C43 | C44 | 156.4° | 180.0° |
| C41 | C42 | C43 | H432 | 83.4° | 60.0° |
| C41 | C42 | C43 | H431 | 36.2° | 60.0° |
| H412 | C41 | C42 | C43 | 107.9° | 60.0° |
| H412 | C41 | C42 | H422 | 131.9° | 180.0° |
| H412 | C41 | C42 | H421 | 12.4° | 60.0° |
| H411 | C41 | C42 | C43 | 11.7° | 60.0° |
| H411 | C41 | C42 | H422 | 108.5° | 60.0° |
| H411 | C41 | C42 | H421 | 131.9° | 180.0° |
| C43 | C42 | H422 | H421 | 119.3° | 120.0° |
| C42 | C43 | C44 | H432 | 120.2° | 120.0° |
| C42 | C43 | C44 | H431 | 120.2° | 120.0° |
| C42 | C43 | H432 | H431 | 119.3° | 120.0° |
| C42 | C43 | C44 | C45 | 177.1° | 180.0° |
| C42 | C43 | C44 | H442 | 62.4° | 60.0° |
| C42 | C43 | C44 | H441 | 56.7° | 60.0° |
| H422 | C42 | C43 | C44 | 36.2° | 60.0° |
| H422 | C42 | C43 | H432 | 156.4° | 180.0° |
| H422 | C42 | C43 | H431 | 84.0° | 60.0° |
| H421 | C42 | C43 | C44 | 83.3° | 60.0° |
| H421 | C42 | C43 | H432 | 36.9° | 60.0° |
| H421 | C42 | C43 | H431 | 156.5° | 180.0° |
| C44 | C43 | H432 | H431 | 119.4° | 120.0° |
| C43 | C44 | C45 | H442 | 120.5° | 120.0° |
| C43 | C44 | C45 | H441 | 120.4° | 120.0° |
| C43 | C44 | H442 | H441 | 118.6° | 120.0° |
| C43 | C44 | C45 | C46 | 158.3° | 180.0° |
| C43 | C44 | C45 | H452 | 38.2° | 60.0° |
| C43 | C44 | C45 | H451 | 81.7° | 60.0° |
| H432 | C43 | C44 | C45 | 56.9° | 60.0° |
| H432 | C43 | C44 | H442 | 177.4° | 180.0° |
| H432 | C43 | C44 | H441 | 63.5° | 60.0° |
| H431 | C43 | C44 | C45 | 62.7° | 60.0° |
| H431 | C43 | C44 | H442 | 57.8° | 60.0° |
| H431 | C43 | C44 | H441 | 176.9° | NaN° |
| C45 | C44 | H442 | H441 | 118.6° | 120.0° |
| C44 | C45 | C46 | H452 | 120.0° | 119.9° |
| C44 | C45 | C46 | H451 | 120.1° | 120.0° |
| C44 | C45 | H452 | H451 | 119.9° | 120.0° |
| C44 | C45 | C46 | C47 | 144.9° | 180.0° |
| C44 | C45 | C46 | H462 | 24.5° | 60.1° |
| C44 | C45 | C46 | H461 | 94.8° | 60.0° |
| H442 | C44 | C45 | C46 | 81.3° | 60.0° |
| H442 | C44 | C45 | H452 | 158.7° | 180.0° |
| H442 | C44 | C45 | H451 | 38.8° | 60.0° |
| H441 | C44 | C45 | C46 | 37.8° | 60.0° |
| H441 | C44 | C45 | H452 | 82.2° | 60.0° |
| H441 | C44 | C45 | H451 | 157.9° | 180.0° |
| C46 | C45 | H452 | H451 | 119.8° | 120.1° |
| C45 | C46 | C47 | H462 | 120.4° | 120.0° |
| C45 | C46 | C47 | H461 | 120.3° | 120.1° |
| C45 | C46 | H462 | H461 | 118.9° | 120.1° |
| C45 | C46 | C47 | C48 | 166.3° | 180.0° |
| C45 | C46 | C47 | H472 | 73.3° | 60.0° |
| C45 | C46 | C47 | H471 | 45.8° | 59.9° |
| H452 | C45 | C46 | C47 | 95.1° | 60.1° |
| H452 | C45 | C46 | H462 | 144.5° | 180.0° |
| H452 | C45 | C46 | H461 | 25.3° | 59.9° |
| H451 | C45 | C46 | C47 | 24.8° | 59.9° |
| H451 | C45 | C46 | H462 | 95.6° | 59.9° |
| H451 | C45 | C46 | H461 | 145.1° | 180.0° |
| C47 | C46 | H462 | H461 | 118.9° | 120.0° |
| C46 | C47 | C48 | H472 | 120.4° | 120.0° |
| C46 | C47 | C48 | H471 | 120.4° | 120.1° |
| C46 | C47 | H472 | H471 | 118.7° | 120.0° |
| C46 | C47 | C48 | H483 | 180.0° | 179.9° |
| C46 | C47 | C48 | H482 | 60.0° | 60.1° |
| C46 | C47 | C48 | H481 | 60.0° | 60.0° |
| H462 | C46 | C47 | C48 | 45.9° | 60.0° |
| H462 | C46 | C47 | H472 | 166.3° | 180.0° |
| H462 | C46 | C47 | H471 | 74.5° | 60.1° |
| H461 | C46 | C47 | C48 | 73.4° | 60.0° |
| H461 | C46 | C47 | H472 | 47.1° | 60.0° |
| H461 | C46 | C47 | H471 | 166.2° | 180.0° |
| C48 | C47 | H472 | H471 | 118.7° | 120.0° |
| C47 | C48 | H483 | H482 | 120.0° | 120.0° |
| C47 | C48 | H483 | H481 | 120.0° | 120.0° |
| C47 | C48 | H482 | H481 | 120.0° | 120.1° |
| H472 | C47 | C48 | H483 | 59.6° | 59.9° |
| H472 | C47 | C48 | H482 | 179.6° | 179.9° |
| H472 | C47 | C48 | H481 | 60.4° | 60.0° |
| H471 | C47 | C48 | H483 | 59.6° | 60.0° |
| H471 | C47 | C48 | H482 | 60.4° | 60.0° |
| H471 | C47 | C48 | H481 | 179.6° | 179.9° |
| H483 | C48 | H482 | H481 | 120.0° | 119.9° |
| O1P | P | O2P | O3P | 122.2° | 120.1° |
| O1P | P | O2P | O4P | 118.6° | 120.0° |
| O1P | P | O2P | HOP2 | 0.0° | 180.0° |
| O1P | P | O3P | O4P | 117.7° | 120.0° |
| O2P | P | O3P | O4P | 120.7° | 120.0° |
| HOP2 | O2P | P | O3P | 122.2° | 59.9° |
| HOP2 | O2P | P | O4P | 118.6° | 60.0° |






