PCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O3P | sing | 1.43Å | 1.45Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.45Å | 1.40Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.45Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | O4P | sing | 1.43Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | N | sing | 1.47Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | N | sing | 1.47Å | 1.48Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å | |
| C7 | N | sing | 1.47Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C8 | N | sing | 1.47Å | 1.49Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | O3 | sing | 1.34Å | 1.52Å | |
| C11 | O11 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | doub | 1.31Å | 1.36Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | O2 | sing | 1.34Å | 1.53Å | |
| C31 | O31 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C39 | C40 | doub | 1.31Å | 1.36Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.51Å | 1.55Å | |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C48 | H481 | sing | 1.09Å | 1.12Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C48 | H483 | sing | 1.09Å | 1.12Å | |
| O1P | P | sing | 1.61Å | 1.48Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | P | doub | 1.48Å | 1.48Å | |
| O3P | P | sing | 1.61Å | 1.64Å | |
| O4P | P | sing | 1.61Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3P | 110.2° | 109.5° |
| C2 | C1 | H11 | 112.0° | 109.4° |
| C2 | C1 | H12 | 112.0° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C1 | C2 | O2 | 108.3° | 109.4° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| O3P | C1 | H11 | 111.9° | 109.5° |
| O3P | C1 | H12 | 111.9° | 109.5° |
| C1 | O3P | P | 117.6° | 106.8° |
| H11 | C1 | H12 | 98.4° | 109.5° |
| C3 | C2 | O2 | 102.7° | 109.5° |
| C3 | C2 | H2 | 113.5° | 109.5° |
| C2 | C3 | O3 | 111.0° | 109.5° |
| C2 | C3 | H31 | 111.6° | 109.5° |
| C2 | C3 | H32 | 111.6° | 109.5° |
| O2 | C2 | H2 | 114.5° | 109.5° |
| C2 | O2 | C31 | 116.9° | 120.0° |
| O3 | C3 | H31 | 111.7° | 109.4° |
| O3 | C3 | H32 | 111.7° | 109.4° |
| C3 | O3 | C11 | 116.1° | 120.0° |
| H31 | C3 | H32 | 98.7° | 109.5° |
| C5 | C4 | O4P | 115.8° | 109.5° |
| C5 | C4 | H41 | 109.9° | 109.5° |
| C5 | C4 | H42 | 109.9° | 109.5° |
| C4 | C5 | N | 110.9° | 109.5° |
| C4 | C5 | H51 | 111.7° | 109.5° |
| C4 | C5 | H52 | 111.7° | 109.4° |
| O4P | C4 | H41 | 109.9° | 109.5° |
| O4P | C4 | H42 | 109.9° | 109.5° |
| C4 | O4P | P | 122.3° | 106.8° |
| H41 | C4 | H42 | 100.3° | 109.5° |
| N | C5 | H51 | 111.7° | 109.5° |
| N | C5 | H52 | 111.6° | 109.5° |
| C5 | N | C6 | 106.7° | 109.5° |
| C5 | N | C7 | 113.0° | 109.5° |
| C5 | N | C8 | 111.7° | 109.5° |
| H51 | C5 | H52 | 98.7° | 109.5° |
| N | C6 | H61 | 106.7° | 109.5° |
| N | C6 | H62 | 113.2° | 109.5° |
| N | C6 | H63 | 113.2° | 109.5° |
| C6 | N | C7 | 107.8° | 109.5° |
| C6 | N | C8 | 107.7° | 109.4° |
| H61 | C6 | H62 | 113.3° | 109.5° |
| H61 | C6 | H63 | 113.2° | 109.4° |
| H62 | C6 | H63 | 97.2° | 109.5° |
| N | C7 | H71 | 113.0° | 109.5° |
| N | C7 | H72 | 111.0° | 109.5° |
| N | C7 | H73 | 110.9° | 109.5° |
| C7 | N | C8 | 109.7° | 109.5° |
| H71 | C7 | H72 | 110.8° | 109.5° |
| H71 | C7 | H73 | 110.9° | 109.4° |
| H72 | C7 | H73 | 99.4° | 109.5° |
| N | C8 | H81 | 111.6° | 109.5° |
| N | C8 | H82 | 111.4° | 109.5° |
| N | C8 | H83 | 111.3° | 109.4° |
| H81 | C8 | H82 | 111.4° | 109.5° |
| H81 | C8 | H83 | 111.5° | 109.5° |
| H82 | C8 | H83 | 99.0° | 109.5° |
| C12 | C11 | O3 | 113.1° | 120.0° |
| C12 | C11 | O11 | 121.1° | 120.0° |
| C11 | C12 | C13 | 111.9° | 109.5° |
| C11 | C12 | H121 | 111.3° | 109.5° |
| C11 | C12 | H122 | 111.3° | 109.4° |
| O3 | C11 | O11 | 125.8° | 120.0° |
| C13 | C12 | H121 | 111.3° | 109.5° |
| C13 | C12 | H122 | 111.3° | 109.4° |
| C12 | C13 | C14 | 113.5° | 109.5° |
| C12 | C13 | H131 | 110.7° | 109.5° |
| C12 | C13 | H132 | 110.7° | 109.4° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| C14 | C13 | H131 | 110.8° | 109.5° |
| C14 | C13 | H132 | 110.8° | 109.5° |
| C13 | C14 | C15 | 113.2° | 109.5° |
| C13 | C14 | H141 | 110.8° | 109.5° |
| C13 | C14 | H142 | 110.8° | 109.5° |
| H131 | C13 | H132 | 99.5° | 109.4° |
| C15 | C14 | H141 | 110.9° | 109.5° |
| C15 | C14 | H142 | 110.8° | 109.4° |
| C14 | C15 | C16 | 113.7° | 109.4° |
| C14 | C15 | H151 | 110.6° | 109.5° |
| C14 | C15 | H152 | 110.7° | 109.4° |
| H141 | C14 | H142 | 99.5° | 109.4° |
| C16 | C15 | H151 | 110.6° | 109.5° |
| C16 | C15 | H152 | 110.7° | 109.4° |
| C15 | C16 | C17 | 113.2° | 109.4° |
| C15 | C16 | H161 | 110.8° | 109.5° |
| C15 | C16 | H162 | 110.8° | 109.5° |
| H151 | C15 | H152 | 99.6° | 109.5° |
| C17 | C16 | H161 | 110.9° | 109.5° |
| C17 | C16 | H162 | 110.9° | 109.5° |
| C16 | C17 | C18 | 113.3° | 109.4° |
| C16 | C17 | H171 | 110.8° | 109.4° |
| C16 | C17 | H172 | 110.8° | 109.5° |
| H161 | C16 | H162 | 99.5° | 109.5° |
| C18 | C17 | H171 | 110.8° | 109.5° |
| C18 | C17 | H172 | 110.8° | 109.5° |
| C17 | C18 | C19 | 109.9° | 109.5° |
| C17 | C18 | H181 | 112.0° | 109.5° |
| C17 | C18 | H182 | 112.0° | 109.5° |
| H171 | C17 | H172 | 99.5° | 109.5° |
| C19 | C18 | H181 | 112.1° | 109.4° |
| C19 | C18 | H182 | 112.1° | 109.5° |
| C18 | C19 | C20 | 117.1° | 120.0° |
| C18 | C19 | H19 | 127.3° | 120.0° |
| H181 | C18 | H182 | 98.4° | 109.4° |
| C20 | C19 | H19 | 115.6° | 120.1° |
| C19 | C20 | C21 | 117.1° | 120.0° |
| C19 | C20 | H20 | 115.6° | 120.0° |
| C21 | C20 | H20 | 127.3° | 120.0° |
| C20 | C21 | C22 | 109.9° | 109.5° |
| C20 | C21 | H211 | 112.0° | 109.5° |
| C20 | C21 | H212 | 112.1° | 109.4° |
| C22 | C21 | H211 | 112.0° | 109.5° |
| C22 | C21 | H212 | 112.1° | 109.4° |
| C21 | C22 | C23 | 113.2° | 109.5° |
| C21 | C22 | H221 | 110.8° | 109.5° |
| C21 | C22 | H222 | 110.8° | 109.5° |
| H211 | C21 | H212 | 98.4° | 109.5° |
| C23 | C22 | H221 | 110.9° | 109.5° |
| C23 | C22 | H222 | 110.9° | 109.4° |
| C22 | C23 | C24 | 113.3° | 109.5° |
| C22 | C23 | H231 | 110.8° | 109.5° |
| C22 | C23 | H232 | 110.8° | 109.5° |
| H221 | C22 | H222 | 99.4° | 109.5° |
| C24 | C23 | H231 | 110.8° | 109.4° |
| C24 | C23 | H232 | 110.8° | 109.5° |
| C23 | C24 | C25 | 113.4° | 109.5° |
| C23 | C24 | H241 | 110.8° | 109.4° |
| C23 | C24 | H242 | 110.8° | 109.5° |
| H231 | C23 | H232 | 99.5° | 109.4° |
| C25 | C24 | H241 | 110.8° | 109.5° |
| C25 | C24 | H242 | 110.8° | 109.5° |
| C24 | C25 | C26 | 113.0° | 109.5° |
| C24 | C25 | H251 | 110.9° | 109.5° |
| C24 | C25 | H252 | 110.9° | 109.5° |
| H241 | C24 | H242 | 99.5° | 109.5° |
| C26 | C25 | H251 | 110.9° | 109.5° |
| C26 | C25 | H252 | 110.9° | 109.4° |
| C25 | C26 | C27 | 113.3° | 109.5° |
| C25 | C26 | H261 | 110.8° | 109.5° |
| C25 | C26 | H262 | 110.8° | 109.4° |
| H251 | C25 | H252 | 99.4° | 109.4° |
| C27 | C26 | H261 | 110.8° | 109.5° |
| C27 | C26 | H262 | 110.8° | 109.5° |
| C26 | C27 | C28 | 110.0° | 109.5° |
| C26 | C27 | H271 | 112.0° | 109.5° |
| C26 | C27 | H272 | 112.0° | 109.5° |
| H261 | C26 | H262 | 99.5° | 109.5° |
| C28 | C27 | H271 | 112.0° | 109.4° |
| C28 | C27 | H272 | 112.0° | 109.5° |
| C27 | C28 | H281 | 110.0° | 109.5° |
| C27 | C28 | H282 | 112.0° | 109.5° |
| C27 | C28 | H283 | 112.0° | 109.4° |
| H271 | C27 | H272 | 98.4° | 109.5° |
| H281 | C28 | H282 | 112.0° | 109.5° |
| H281 | C28 | H283 | 112.0° | 109.5° |
| H282 | C28 | H283 | 98.3° | 109.5° |
| C32 | C31 | O2 | 113.3° | 120.0° |
| C32 | C31 | O31 | 120.7° | 120.0° |
| C31 | C32 | C33 | 111.3° | 109.5° |
| C31 | C32 | H321 | 111.5° | 109.5° |
| C31 | C32 | H322 | 111.5° | 109.5° |
| O2 | C31 | O31 | 126.0° | 120.0° |
| C33 | C32 | H321 | 111.5° | 109.4° |
| C33 | C32 | H322 | 111.6° | 109.4° |
| C32 | C33 | C34 | 113.9° | 109.5° |
| C32 | C33 | H331 | 110.5° | 109.5° |
| C32 | C33 | H332 | 110.5° | 109.5° |
| H321 | C32 | H322 | 98.8° | 109.5° |
| C34 | C33 | H331 | 110.6° | 109.5° |
| C34 | C33 | H332 | 110.6° | 109.5° |
| C33 | C34 | C35 | 114.0° | 109.5° |
| C33 | C34 | H341 | 110.6° | 109.5° |
| C33 | C34 | H342 | 110.5° | 109.4° |
| H331 | C33 | H332 | 99.7° | 109.5° |
| C35 | C34 | H341 | 110.6° | 109.5° |
| C35 | C34 | H342 | 110.6° | 109.5° |
| C34 | C35 | C36 | 114.0° | 109.5° |
| C34 | C35 | H351 | 110.5° | 109.5° |
| C34 | C35 | H352 | 110.5° | 109.5° |
| H341 | C34 | H342 | 99.7° | 109.5° |
| C36 | C35 | H351 | 110.6° | 109.5° |
| C36 | C35 | H352 | 110.6° | 109.5° |
| C35 | C36 | C37 | 113.7° | 109.5° |
| C35 | C36 | H361 | 110.6° | 109.5° |
| C35 | C36 | H362 | 110.6° | 109.4° |
| H351 | C35 | H352 | 99.7° | 109.4° |
| C37 | C36 | H361 | 110.7° | 109.5° |
| C37 | C36 | H362 | 110.7° | 109.5° |
| C36 | C37 | C38 | 113.3° | 109.5° |
| C36 | C37 | H371 | 110.8° | 109.5° |
| C36 | C37 | H372 | 110.8° | 109.5° |
| H361 | C36 | H362 | 99.7° | 109.5° |
| C38 | C37 | H371 | 110.9° | 109.5° |
| C38 | C37 | H372 | 110.8° | 109.5° |
| C37 | C38 | C39 | 109.8° | 109.5° |
| C37 | C38 | H381 | 112.1° | 109.5° |
| C37 | C38 | H382 | 112.1° | 109.5° |
| H371 | C37 | H372 | 99.5° | 109.5° |
| C39 | C38 | H381 | 112.1° | 109.5° |
| C39 | C38 | H382 | 112.1° | 109.5° |
| C38 | C39 | C40 | 117.3° | 120.0° |
| C38 | C39 | H39 | 127.1° | 120.0° |
| H381 | C38 | H382 | 98.3° | 109.5° |
| C40 | C39 | H39 | 115.6° | 120.1° |
| C39 | C40 | C41 | 117.3° | 120.0° |
| C39 | C40 | H40 | 115.5° | 119.9° |
| C41 | C40 | H40 | 127.2° | 120.0° |
| C40 | C41 | C42 | 109.8° | 109.5° |
| C40 | C41 | H411 | 112.0° | 109.4° |
| C40 | C41 | H412 | 112.1° | 109.5° |
| C42 | C41 | H411 | 112.1° | 109.5° |
| C42 | C41 | H412 | 112.1° | 109.5° |
| C41 | C42 | C43 | 113.6° | 109.5° |
| C41 | C42 | H421 | 110.7° | 109.4° |
| C41 | C42 | H422 | 110.7° | 109.5° |
| H411 | C41 | H412 | 98.3° | 109.5° |
| C43 | C42 | H421 | 110.7° | 109.5° |
| C43 | C42 | H422 | 110.7° | 109.5° |
| C42 | C43 | C44 | 113.5° | 109.4° |
| C42 | C43 | H431 | 110.8° | 109.5° |
| C42 | C43 | H432 | 110.7° | 109.5° |
| H421 | C42 | H422 | 99.7° | 109.5° |
| C44 | C43 | H431 | 110.8° | 109.5° |
| C44 | C43 | H432 | 110.8° | 109.5° |
| C43 | C44 | C45 | 113.5° | 109.5° |
| C43 | C44 | H441 | 110.7° | 109.5° |
| C43 | C44 | H442 | 110.7° | 109.5° |
| H431 | C43 | H432 | 99.5° | 109.5° |
| C45 | C44 | H441 | 110.8° | 109.4° |
| C45 | C44 | H442 | 110.8° | 109.5° |
| C44 | C45 | C46 | 113.5° | 109.5° |
| C44 | C45 | H451 | 110.7° | 109.5° |
| C44 | C45 | H452 | 110.7° | 109.5° |
| H441 | C44 | H442 | 99.6° | 109.5° |
| C46 | C45 | H451 | 110.7° | 109.4° |
| C46 | C45 | H452 | 110.8° | 109.5° |
| C45 | C46 | C47 | 113.6° | 109.5° |
| C45 | C46 | H461 | 110.7° | 109.4° |
| C45 | C46 | H462 | 110.6° | 109.5° |
| H451 | C45 | H452 | 99.5° | 109.5° |
| C47 | C46 | H461 | 110.7° | 109.5° |
| C47 | C46 | H462 | 110.7° | 109.5° |
| C46 | C47 | C48 | 113.7° | 109.5° |
| C46 | C47 | H471 | 110.6° | 109.4° |
| C46 | C47 | H472 | 110.7° | 109.5° |
| H461 | C46 | H462 | 99.7° | 109.5° |
| C48 | C47 | H471 | 110.7° | 109.5° |
| C48 | C47 | H472 | 110.7° | 109.5° |
| C47 | C48 | H481 | 113.7° | 109.5° |
| C47 | C48 | H482 | 110.6° | 109.5° |
| C47 | C48 | H483 | 110.6° | 109.4° |
| H471 | C47 | H472 | 99.6° | 109.5° |
| H481 | C48 | H482 | 110.7° | 109.5° |
| H481 | C48 | H483 | 110.7° | 109.5° |
| H482 | C48 | H483 | 99.7° | 109.5° |
| P | O1P | H1P | 110.4° | 106.8° |
| O1P | P | O2P | 110.4° | 109.5° |
| O1P | P | O3P | 107.9° | 109.5° |
| O1P | P | O4P | 106.5° | 109.5° |
| O2P | P | O3P | 107.1° | 109.4° |
| O2P | P | O4P | 106.8° | 109.5° |
| O3P | P | O4P | 118.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3P | H11 | 125.3° | 119.9° |
| C2 | C1 | O3P | H12 | 125.3° | 120.1° |
| C2 | C1 | H11 | H12 | 117.9° | 120.0° |
| C1 | C2 | C3 | O2 | 114.9° | 120.0° |
| C1 | C2 | C3 | H2 | 121.0° | 120.0° |
| C1 | C2 | O2 | H2 | 120.9° | 120.0° |
| C1 | C2 | C3 | O3 | 172.1° | 55.0° |
| C1 | C2 | C3 | H31 | 46.9° | 64.9° |
| C1 | C2 | C3 | H32 | 62.6° | 175.0° |
| C1 | C2 | O2 | C31 | 92.0° | 90.0° |
| C2 | C1 | O3P | P | 96.2° | 180.0° |
| O3P | C1 | H11 | H12 | 117.8° | 120.0° |
| O3P | C1 | C2 | C3 | 52.5° | 55.0° |
| O3P | C1 | C2 | O2 | 58.7° | 65.1° |
| O3P | C1 | C2 | H2 | 176.6° | 175.0° |
| C1 | O3P | P | O1P | 22.7° | 65.0° |
| C1 | O3P | P | O2P | 141.6° | 55.0° |
| C1 | O3P | P | O4P | 98.0° | 175.0° |
| H11 | C1 | C2 | C3 | 72.8° | 65.0° |
| H11 | C1 | C2 | O2 | 176.0° | 175.0° |
| H11 | C1 | C2 | H2 | 51.3° | 55.0° |
| H11 | C1 | O3P | P | 138.5° | 60.0° |
| H12 | C1 | C2 | C3 | 177.7° | 175.0° |
| H12 | C1 | C2 | O2 | 66.5° | 55.0° |
| H12 | C1 | C2 | H2 | 58.1° | 65.0° |
| H12 | C1 | O3P | P | 29.1° | 60.0° |
| C3 | C2 | O2 | H2 | 123.5° | 120.0° |
| C2 | C3 | O3 | H31 | 125.3° | 120.0° |
| C2 | C3 | O3 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.5° | 120.1° |
| C2 | C3 | O3 | C11 | 100.5° | 180.0° |
| C3 | C2 | O2 | C31 | 152.3° | 150.0° |
| O2 | C2 | C3 | O3 | 73.0° | 65.0° |
| O2 | C2 | C3 | H31 | 161.7° | 175.0° |
| O2 | C2 | C3 | H32 | 52.3° | 54.9° |
| C2 | O2 | C31 | C32 | 162.8° | 180.0° |
| C2 | O2 | C31 | O31 | 18.1° | 0.0° |
| H2 | C2 | C3 | O3 | 51.1° | 175.0° |
| H2 | C2 | C3 | H31 | 74.2° | 55.0° |
| H2 | C2 | C3 | H32 | 176.4° | 65.1° |
| H2 | C2 | O2 | C31 | 28.9° | 30.0° |
| O3 | C3 | H31 | H32 | 117.6° | 119.9° |
| C3 | O3 | C11 | C12 | 171.5° | 180.0° |
| C3 | O3 | C11 | O11 | 7.8° | 0.0° |
| H31 | C3 | O3 | C11 | 24.7° | 60.0° |
| H32 | C3 | O3 | C11 | 134.2° | 60.0° |
| C5 | C4 | O4P | H41 | 125.3° | 120.0° |
| C5 | C4 | O4P | H42 | 125.3° | 120.0° |
| C5 | C4 | H41 | H42 | 115.7° | 120.0° |
| C4 | C5 | N | H51 | 125.3° | 120.1° |
| C4 | C5 | N | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 117.6° | 120.0° |
| C4 | C5 | N | C6 | 179.8° | 61.9° |
| C4 | C5 | N | C7 | 61.8° | 178.1° |
| C4 | C5 | N | C8 | 62.4° | 58.1° |
| C5 | C4 | O4P | P | 89.0° | 180.0° |
| O4P | C4 | H41 | H42 | 115.7° | 120.0° |
| O4P | C4 | C5 | N | 84.2° | 68.1° |
| O4P | C4 | C5 | H51 | 150.5° | 171.9° |
| O4P | C4 | C5 | H52 | 41.0° | 51.9° |
| C4 | O4P | P | O1P | 177.2° | 65.0° |
| C4 | O4P | P | O2P | 59.2° | 55.0° |
| C4 | O4P | P | O3P | 61.4° | 175.0° |
| H41 | C4 | C5 | N | 150.6° | 51.9° |
| H41 | C4 | C5 | H51 | 25.3° | 68.1° |
| H41 | C4 | C5 | H52 | 84.2° | 171.9° |
| H41 | C4 | O4P | P | 36.3° | 60.0° |
| H42 | C4 | C5 | N | 41.1° | 171.9° |
| H42 | C4 | C5 | H51 | 84.2° | 51.9° |
| H42 | C4 | C5 | H52 | 166.3° | 68.1° |
| H42 | C4 | O4P | P | 145.8° | 60.0° |
| N | C5 | H51 | H52 | 117.6° | 120.0° |
| C5 | N | C6 | C7 | 121.7° | 120.0° |
| C5 | N | C6 | C8 | 120.1° | 120.0° |
| C5 | N | C6 | H61 | 180.0° | 60.0° |
| C5 | N | C6 | H62 | 54.7° | 180.0° |
| C5 | N | C6 | H63 | 54.7° | 60.0° |
| C5 | N | C7 | C8 | 125.3° | 120.0° |
| C5 | N | C7 | H71 | 180.0° | 60.0° |
| C5 | N | C7 | H72 | 54.8° | 180.0° |
| C5 | N | C7 | H73 | 54.7° | 60.0° |
| C5 | N | C8 | H81 | 180.0° | 70.1° |
| C5 | N | C8 | H82 | 54.7° | 169.9° |
| C5 | N | C8 | H83 | 54.7° | 49.9° |
| H51 | C5 | N | C6 | 54.6° | 58.2° |
| H51 | C5 | N | C7 | 172.9° | 61.8° |
| H51 | C5 | N | C8 | 62.9° | 178.1° |
| H52 | C5 | N | C6 | 54.9° | 178.1° |
| H52 | C5 | N | C7 | 63.4° | 58.1° |
| H52 | C5 | N | C8 | 172.4° | 61.9° |
| N | C6 | H61 | H62 | 125.3° | 120.1° |
| N | C6 | H61 | H63 | 125.2° | 120.0° |
| N | C6 | H62 | H63 | 119.1° | 120.0° |
| C6 | N | C7 | C8 | 117.0° | 120.0° |
| C6 | N | C7 | H71 | 62.3° | 180.0° |
| C6 | N | C7 | H72 | 62.9° | 60.0° |
| C6 | N | C7 | H73 | 172.4° | 60.0° |
| C6 | N | C8 | H81 | 63.2° | 49.9° |
| C6 | N | C8 | H82 | 171.6° | 70.2° |
| C6 | N | C8 | H83 | 62.1° | 169.8° |
| H61 | C6 | H62 | H63 | 119.2° | 120.0° |
| H61 | C6 | N | C7 | 58.3° | 60.0° |
| H61 | C6 | N | C8 | 60.0° | 180.0° |
| H62 | C6 | N | C7 | 176.3° | 60.0° |
| H62 | C6 | N | C8 | 65.4° | 60.0° |
| H63 | C6 | N | C7 | 66.9° | 180.0° |
| H63 | C6 | N | C8 | 174.8° | 60.0° |
| N | C7 | H71 | H72 | 125.3° | 120.0° |
| N | C7 | H71 | H73 | 125.3° | 120.0° |
| N | C7 | H72 | H73 | 116.8° | 120.0° |
| C7 | N | C8 | H81 | 53.9° | 169.9° |
| C7 | N | C8 | H82 | 71.3° | 49.8° |
| C7 | N | C8 | H83 | 179.2° | 70.2° |
| H71 | C7 | H72 | H73 | 116.8° | 119.9° |
| H71 | C7 | N | C8 | 54.7° | 60.1° |
| H72 | C7 | N | C8 | 179.9° | 60.0° |
| H73 | C7 | N | C8 | 70.6° | 180.0° |
| N | C8 | H81 | H82 | 125.2° | 120.1° |
| N | C8 | H81 | H83 | 125.2° | 119.9° |
| N | C8 | H82 | H83 | 117.2° | 120.0° |
| H81 | C8 | H82 | H83 | 117.4° | 120.0° |
| C12 | C11 | O3 | O11 | 179.3° | 179.9° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 119.9° |
| C11 | C12 | H121 | H122 | 117.2° | 120.0° |
| C11 | C12 | C13 | C14 | 110.5° | 180.0° |
| C11 | C12 | C13 | H131 | 14.8° | 59.9° |
| C11 | C12 | C13 | H132 | 124.2° | 60.0° |
| O3 | C11 | C12 | C13 | 143.4° | 180.0° |
| O3 | C11 | C12 | H121 | 18.1° | 60.0° |
| O3 | C11 | C12 | H122 | 91.3° | 60.1° |
| O11 | C11 | C12 | C13 | 37.3° | 0.1° |
| O11 | C11 | C12 | H121 | 162.5° | 120.0° |
| O11 | C11 | C12 | H122 | 88.0° | 120.0° |
| C13 | C12 | H121 | H122 | 117.2° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.1° |
| C12 | C13 | C14 | H132 | 125.3° | 119.9° |
| C12 | C13 | H131 | H132 | 116.6° | 119.9° |
| C12 | C13 | C14 | C15 | 89.4° | 180.0° |
| C12 | C13 | C14 | H141 | 145.4° | 59.9° |
| C12 | C13 | C14 | H142 | 35.8° | 60.1° |
| H121 | C12 | C13 | C14 | 124.2° | 60.0° |
| H121 | C12 | C13 | H131 | 110.5° | 180.0° |
| H121 | C12 | C13 | H132 | 1.1° | 60.0° |
| H122 | C12 | C13 | C14 | 14.7° | 60.1° |
| H122 | C12 | C13 | H131 | 140.1° | 60.0° |
| H122 | C12 | C13 | H132 | 110.6° | 180.0° |
| C14 | C13 | H131 | H132 | 116.6° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 120.1° |
| C13 | C14 | C15 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H142 | 116.7° | 120.0° |
| C13 | C14 | C15 | C16 | 174.1° | 180.0° |
| C13 | C14 | C15 | H151 | 48.8° | 59.9° |
| C13 | C14 | C15 | H152 | 60.6° | 60.1° |
| H131 | C13 | C14 | C15 | 35.9° | 59.9° |
| H131 | C13 | C14 | H141 | 89.4° | 180.0° |
| H131 | C13 | C14 | H142 | 161.1° | 60.0° |
| H132 | C13 | C14 | C15 | 145.3° | 60.1° |
| H132 | C13 | C14 | H141 | 20.1° | 60.0° |
| H132 | C13 | C14 | H142 | 89.4° | 180.0° |
| C15 | C14 | H141 | H142 | 116.7° | 119.9° |
| C14 | C15 | C16 | H151 | 125.3° | 120.1° |
| C14 | C15 | C16 | H152 | 125.3° | 119.9° |
| C14 | C15 | H151 | H152 | 116.5° | 120.0° |
| C14 | C15 | C16 | C17 | 124.7° | 180.0° |
| C14 | C15 | C16 | H161 | 0.6° | 60.0° |
| C14 | C15 | C16 | H162 | 110.0° | 60.0° |
| H141 | C14 | C15 | C16 | 60.7° | 59.9° |
| H141 | C14 | C15 | H151 | 174.1° | 180.0° |
| H141 | C14 | C15 | H152 | 64.6° | 60.0° |
| H142 | C14 | C15 | C16 | 48.9° | 60.0° |
| H142 | C14 | C15 | H151 | 76.4° | 60.0° |
| H142 | C14 | C15 | H152 | 174.2° | 180.0° |
| C16 | C15 | H151 | H152 | 116.5° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.2° | 120.0° |
| C15 | C16 | H161 | H162 | 116.6° | 120.0° |
| C15 | C16 | C17 | C18 | 89.3° | 180.0° |
| C15 | C16 | C17 | H171 | 145.4° | 60.0° |
| C15 | C16 | C17 | H172 | 36.0° | 60.0° |
| H151 | C15 | C16 | C17 | 110.0° | 60.0° |
| H151 | C15 | C16 | H161 | 124.7° | 180.0° |
| H151 | C15 | C16 | H162 | 15.2° | 60.0° |
| H152 | C15 | C16 | C17 | 0.6° | 60.0° |
| H152 | C15 | C16 | H161 | 125.9° | 59.9° |
| H152 | C15 | C16 | H162 | 124.7° | 179.9° |
| C17 | C16 | H161 | H162 | 116.8° | 120.0° |
| C16 | C17 | C18 | H171 | 125.2° | 119.9° |
| C16 | C17 | C18 | H172 | 125.2° | 120.0° |
| C16 | C17 | H171 | H172 | 116.6° | 120.0° |
| C16 | C17 | C18 | C19 | 157.2° | 180.0° |
| C16 | C17 | C18 | H181 | 77.5° | 60.0° |
| C16 | C17 | C18 | H182 | 31.9° | 60.0° |
| H161 | C16 | C17 | C18 | 36.0° | 60.0° |
| H161 | C16 | C17 | H171 | 89.3° | 180.0° |
| H161 | C16 | C17 | H172 | 161.2° | 60.0° |
| H162 | C16 | C17 | C18 | 145.5° | 60.0° |
| H162 | C16 | C17 | H171 | 20.2° | 60.0° |
| H162 | C16 | C17 | H172 | 89.3° | 180.0° |
| C18 | C17 | H171 | H172 | 116.7° | 120.1° |
| C17 | C18 | C19 | H181 | 125.2° | 120.0° |
| C17 | C18 | C19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 117.9° | 120.0° |
| C17 | C18 | C19 | C20 | 136.7° | 126.7° |
| C17 | C18 | C19 | H19 | 43.2° | 53.3° |
| H171 | C17 | C18 | C19 | 32.0° | 60.1° |
| H171 | C17 | C18 | H181 | 157.2° | 180.0° |
| H171 | C17 | C18 | H182 | 93.3° | 60.0° |
| H172 | C17 | C18 | C19 | 77.5° | 60.0° |
| H172 | C17 | C18 | H181 | 47.7° | 60.0° |
| H172 | C17 | C18 | H182 | 157.1° | 180.0° |
| C19 | C18 | H181 | H182 | 118.0° | 120.0° |
| C18 | C19 | C20 | H19 | 179.9° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 7.9° |
| C18 | C19 | C20 | H20 | 179.9° | 172.2° |
| H181 | C18 | C19 | C20 | 11.5° | 113.3° |
| H181 | C18 | C19 | H19 | 168.4° | 66.8° |
| H182 | C18 | C19 | C20 | 98.0° | 6.7° |
| H182 | C18 | C19 | H19 | 82.1° | 173.3° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 140.0° | 127.6° |
| C19 | C20 | C21 | H211 | 14.8° | 7.5° |
| C19 | C20 | C21 | H212 | 94.7° | 112.5° |
| H19 | C19 | C20 | C21 | 180.0° | 172.2° |
| H19 | C19 | C20 | H20 | 0.0° | 7.8° |
| C20 | C21 | C22 | H211 | 125.2° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 119.9° |
| C20 | C21 | H211 | H212 | 118.0° | 120.0° |
| C20 | C21 | C22 | C23 | 115.6° | 180.0° |
| C20 | C21 | C22 | H221 | 9.7° | 60.0° |
| C20 | C21 | C22 | H222 | 119.1° | 60.0° |
| H20 | C20 | C21 | C22 | 40.0° | 52.4° |
| H20 | C20 | C21 | H211 | 165.2° | 172.4° |
| H20 | C20 | C21 | H212 | 85.3° | 67.5° |
| C22 | C21 | H211 | H212 | 118.0° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.1° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 116.7° | 120.0° |
| C21 | C22 | C23 | C24 | 172.7° | 180.0° |
| C21 | C22 | C23 | H231 | 47.4° | 60.0° |
| C21 | C22 | C23 | H232 | 62.1° | 60.0° |
| H211 | C21 | C22 | C23 | 119.2° | 60.0° |
| H211 | C21 | C22 | H221 | 115.5° | 180.0° |
| H211 | C21 | C22 | H222 | 6.1° | 60.0° |
| H212 | C21 | C22 | C23 | 9.7° | 60.1° |
| H212 | C21 | C22 | H221 | 135.0° | 59.9° |
| H212 | C21 | C22 | H222 | 115.6° | 180.0° |
| C23 | C22 | H221 | H222 | 116.8° | 119.9° |
| C22 | C23 | C24 | H231 | 125.2° | 120.0° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 116.7° | 120.0° |
| C22 | C23 | C24 | C25 | 97.4° | 180.0° |
| C22 | C23 | C24 | H241 | 27.9° | 60.0° |
| C22 | C23 | C24 | H242 | 137.3° | 60.0° |
| H221 | C22 | C23 | C24 | 62.0° | 60.0° |
| H221 | C22 | C23 | H231 | 172.7° | 180.0° |
| H221 | C22 | C23 | H232 | 63.2° | 60.0° |
| H222 | C22 | C23 | C24 | 47.4° | 60.0° |
| H222 | C22 | C23 | H231 | 77.8° | 60.0° |
| H222 | C22 | C23 | H232 | 172.7° | 180.0° |
| C24 | C23 | H231 | H232 | 116.7° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 119.9° |
| C23 | C24 | C25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 116.6° | 120.0° |
| C23 | C24 | C25 | C26 | 156.3° | 180.0° |
| C23 | C24 | C25 | H251 | 31.0° | 60.0° |
| C23 | C24 | C25 | H252 | 78.5° | 60.0° |
| H231 | C23 | C24 | C25 | 137.4° | 60.0° |
| H231 | C23 | C24 | H241 | 97.3° | 180.0° |
| H231 | C23 | C24 | H242 | 12.1° | 60.0° |
| H232 | C23 | C24 | C25 | 27.9° | 59.9° |
| H232 | C23 | C24 | H241 | 153.1° | 60.0° |
| H232 | C23 | C24 | H242 | 97.4° | 180.0° |
| C25 | C24 | H241 | H242 | 116.7° | 120.1° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H252 | 116.8° | 120.0° |
| C24 | C25 | C26 | C27 | 104.8° | 180.0° |
| C24 | C25 | C26 | H261 | 129.9° | 60.0° |
| C24 | C25 | C26 | H262 | 20.5° | 60.0° |
| H241 | C24 | C25 | C26 | 78.5° | 60.0° |
| H241 | C24 | C25 | H251 | 156.2° | 179.9° |
| H241 | C24 | C25 | H252 | 46.7° | 59.9° |
| H242 | C24 | C25 | C26 | 31.0° | 60.0° |
| H242 | C24 | C25 | H251 | 94.3° | 60.0° |
| H242 | C24 | C25 | H252 | 156.2° | 180.0° |
| C26 | C25 | H251 | H252 | 116.8° | 119.9° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.2° | 120.0° |
| C25 | C26 | H261 | H262 | 116.6° | 119.9° |
| C25 | C26 | C27 | C28 | 133.3° | 180.0° |
| C25 | C26 | C27 | H271 | 101.4° | 60.0° |
| C25 | C26 | C27 | H272 | 8.1° | 60.0° |
| H251 | C25 | C26 | C27 | 20.5° | 60.0° |
| H251 | C25 | C26 | H261 | 104.8° | 180.0° |
| H251 | C25 | C26 | H262 | 145.8° | 60.0° |
| H252 | C25 | C26 | C27 | 130.0° | 60.0° |
| H252 | C25 | C26 | H261 | 4.7° | 60.1° |
| H252 | C25 | C26 | H262 | 104.7° | 180.0° |
| C27 | C26 | H261 | H262 | 116.7° | 120.1° |
| C26 | C27 | C28 | H271 | 125.2° | 120.0° |
| C26 | C27 | C28 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H272 | 117.9° | 120.1° |
| C26 | C27 | C28 | H281 | 180.0° | 180.0° |
| C26 | C27 | C28 | H282 | 54.7° | 60.0° |
| C26 | C27 | C28 | H283 | 54.7° | 60.0° |
| H261 | C26 | C27 | C28 | 8.0° | 60.0° |
| H261 | C26 | C27 | H271 | 133.3° | 180.0° |
| H261 | C26 | C27 | H272 | 117.2° | 60.0° |
| H262 | C26 | C27 | C28 | 101.4° | 60.0° |
| H262 | C26 | C27 | H271 | 23.8° | 60.0° |
| H262 | C26 | C27 | H272 | 133.3° | 180.0° |
| C28 | C27 | H271 | H272 | 117.9° | 120.0° |
| C27 | C28 | H281 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H283 | 125.3° | 120.0° |
| C27 | C28 | H282 | H283 | 117.8° | 119.9° |
| H271 | C27 | C28 | H281 | 54.8° | 60.0° |
| H271 | C27 | C28 | H282 | 179.9° | 60.0° |
| H271 | C27 | C28 | H283 | 70.5° | 180.0° |
| H272 | C27 | C28 | H281 | 54.8° | 60.0° |
| H272 | C27 | C28 | H282 | 70.6° | 180.0° |
| H272 | C27 | C28 | H283 | 179.9° | 60.0° |
| H281 | C28 | H282 | H283 | 117.9° | 120.0° |
| C32 | C31 | O2 | O31 | 179.1° | 179.9° |
| C31 | C32 | C33 | H321 | 125.3° | 120.1° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 117.4° | 120.1° |
| C31 | C32 | C33 | C34 | 93.2° | 180.0° |
| C31 | C32 | C33 | H331 | 141.5° | 60.0° |
| C31 | C32 | C33 | H332 | 32.1° | 60.0° |
| O2 | C31 | C32 | C33 | 90.1° | 180.0° |
| O2 | C31 | C32 | H321 | 35.1° | 60.0° |
| O2 | C31 | C32 | H322 | 144.5° | 60.1° |
| O31 | C31 | C32 | C33 | 90.7° | 0.0° |
| O31 | C31 | C32 | H321 | 144.0° | 119.9° |
| O31 | C31 | C32 | H322 | 34.6° | 120.0° |
| C33 | C32 | H321 | H322 | 117.5° | 119.9° |
| C32 | C33 | C34 | H331 | 125.2° | 120.0° |
| C32 | C33 | C34 | H332 | 125.2° | 120.0° |
| C32 | C33 | H331 | H332 | 116.4° | 120.0° |
| C32 | C33 | C34 | C35 | 152.4° | 180.0° |
| C32 | C33 | C34 | H341 | 82.2° | 60.0° |
| C32 | C33 | C34 | H342 | 27.2° | 60.0° |
| H321 | C32 | C33 | C34 | 32.1° | 60.0° |
| H321 | C32 | C33 | H331 | 93.2° | 180.0° |
| H321 | C32 | C33 | H332 | 157.4° | 60.1° |
| H322 | C32 | C33 | C34 | 141.5° | 60.0° |
| H322 | C32 | C33 | H331 | 16.2° | 60.0° |
| H322 | C32 | C33 | H332 | 93.2° | 180.0° |
| C34 | C33 | H331 | H332 | 116.5° | 120.0° |
| C33 | C34 | C35 | H341 | 125.3° | 120.0° |
| C33 | C34 | C35 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 116.4° | 120.0° |
| C33 | C34 | C35 | C36 | 77.6° | 180.0° |
| C33 | C34 | C35 | H351 | 157.1° | 60.0° |
| C33 | C34 | C35 | H352 | 47.7° | 60.0° |
| H331 | C33 | C34 | C35 | 27.2° | 60.0° |
| H331 | C33 | C34 | H341 | 152.5° | 180.0° |
| H331 | C33 | C34 | H342 | 98.0° | 60.0° |
| H332 | C33 | C34 | C35 | 82.3° | 60.0° |
| H332 | C33 | C34 | H341 | 43.0° | 60.0° |
| H332 | C33 | C34 | H342 | 152.4° | 180.0° |
| C35 | C34 | H341 | H342 | 116.4° | 120.0° |
| C34 | C35 | C36 | H351 | 125.3° | 120.0° |
| C34 | C35 | C36 | H352 | 125.2° | 120.0° |
| C34 | C35 | H351 | H352 | 116.3° | 120.0° |
| C34 | C35 | C36 | C37 | 128.6° | 180.0° |
| C34 | C35 | C36 | H361 | 106.2° | 60.0° |
| C34 | C35 | C36 | H362 | 3.3° | 60.0° |
| H341 | C34 | C35 | C36 | 47.7° | 60.0° |
| H341 | C34 | C35 | H351 | 77.6° | 180.0° |
| H341 | C34 | C35 | H352 | 173.0° | 60.0° |
| H342 | C34 | C35 | C36 | 157.1° | 60.0° |
| H342 | C34 | C35 | H351 | 31.8° | 60.0° |
| H342 | C34 | C35 | H352 | 77.6° | 180.0° |
| C36 | C35 | H351 | H352 | 116.5° | 120.0° |
| C35 | C36 | C37 | H361 | 125.2° | 120.0° |
| C35 | C36 | C37 | H362 | 125.2° | 120.0° |
| C35 | C36 | H361 | H362 | 116.4° | 119.9° |
| C35 | C36 | C37 | C38 | 139.7° | 180.0° |
| C35 | C36 | C37 | H371 | 14.4° | 60.0° |
| C35 | C36 | C37 | H372 | 95.0° | 60.0° |
| H351 | C35 | C36 | C37 | 3.3° | 60.0° |
| H351 | C35 | C36 | H361 | 128.6° | 180.0° |
| H351 | C35 | C36 | H362 | 122.0° | 60.1° |
| H352 | C35 | C36 | C37 | 106.2° | 60.0° |
| H352 | C35 | C36 | H361 | 19.1° | 60.0° |
| H352 | C35 | C36 | H362 | 128.5° | 180.0° |
| C37 | C36 | H361 | H362 | 116.6° | 120.0° |
| C36 | C37 | C38 | H371 | 125.2° | 120.0° |
| C36 | C37 | C38 | H372 | 125.3° | 120.0° |
| C36 | C37 | H371 | H372 | 116.7° | 120.0° |
| C36 | C37 | C38 | C39 | 170.3° | 180.0° |
| C36 | C37 | C38 | H381 | 45.1° | 60.0° |
| C36 | C37 | C38 | H382 | 64.4° | 60.0° |
| H361 | C36 | C37 | C38 | 95.1° | 60.0° |
| H361 | C36 | C37 | H371 | 139.7° | 180.0° |
| H361 | C36 | C37 | H372 | 30.2° | 60.0° |
| H362 | C36 | C37 | C38 | 14.5° | 60.0° |
| H362 | C36 | C37 | H371 | 110.8° | 60.0° |
| H362 | C36 | C37 | H372 | 139.7° | 180.0° |
| C38 | C37 | H371 | H372 | 116.7° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | H381 | H382 | 117.9° | 120.0° |
| C37 | C38 | C39 | C40 | 161.5° | 126.7° |
| C37 | C38 | C39 | H39 | 18.6° | 53.2° |
| H371 | C37 | C38 | C39 | 64.4° | 60.0° |
| H371 | C37 | C38 | H381 | 170.3° | 180.0° |
| H371 | C37 | C38 | H382 | 60.9° | 60.0° |
| H372 | C37 | C38 | C39 | 45.1° | 60.0° |
| H372 | C37 | C38 | H381 | 80.2° | 60.0° |
| H372 | C37 | C38 | H382 | 170.4° | 180.0° |
| C39 | C38 | H381 | H382 | 118.0° | 120.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.1° | 7.9° |
| C38 | C39 | C40 | H40 | 179.9° | 172.1° |
| H381 | C38 | C39 | C40 | 36.2° | 6.7° |
| H381 | C38 | C39 | H39 | 143.8° | 173.2° |
| H382 | C38 | C39 | C40 | 73.3° | 113.3° |
| H382 | C38 | C39 | H39 | 106.7° | 66.8° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 148.8° | 126.7° |
| C39 | C40 | C41 | H411 | 23.5° | 113.3° |
| C39 | C40 | C41 | H412 | 85.9° | 6.7° |
| H39 | C39 | C40 | C41 | 179.9° | 172.1° |
| H39 | C39 | C40 | H40 | 0.1° | 7.9° |
| C40 | C41 | C42 | H411 | 125.2° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 117.9° | 120.0° |
| C40 | C41 | C42 | C43 | 169.8° | 180.0° |
| C40 | C41 | C42 | H421 | 44.6° | 60.0° |
| C40 | C41 | C42 | H422 | 64.9° | 60.0° |
| H40 | C40 | C41 | C42 | 31.2° | 53.2° |
| H40 | C40 | C41 | H411 | 156.5° | 66.8° |
| H40 | C40 | C41 | H412 | 94.1° | 173.3° |
| C42 | C41 | H411 | H412 | 118.0° | 120.0° |
| C41 | C42 | C43 | H421 | 125.2° | 120.0° |
| C41 | C42 | C43 | H422 | 125.2° | 120.0° |
| C41 | C42 | H421 | H422 | 116.5° | 120.0° |
| C41 | C42 | C43 | C44 | 102.7° | 180.0° |
| C41 | C42 | C43 | H431 | 131.9° | 60.0° |
| C41 | C42 | C43 | H432 | 22.5° | 60.0° |
| H411 | C41 | C42 | C43 | 64.9° | 60.0° |
| H411 | C41 | C42 | H421 | 169.8° | 180.0° |
| H411 | C41 | C42 | H422 | 60.3° | 60.0° |
| H412 | C41 | C42 | C43 | 44.5° | 60.0° |
| H412 | C41 | C42 | H421 | 80.7° | 60.0° |
| H412 | C41 | C42 | H422 | 169.8° | NaN° |
| C43 | C42 | H421 | H422 | 116.6° | 120.0° |
| C42 | C43 | C44 | H431 | 125.3° | 120.0° |
| C42 | C43 | C44 | H432 | 125.2° | 120.0° |
| C42 | C43 | H431 | H432 | 116.6° | 120.0° |
| C42 | C43 | C44 | C45 | 173.1° | 180.0° |
| C42 | C43 | C44 | H441 | 47.8° | 60.0° |
| C42 | C43 | C44 | H442 | 61.6° | 60.0° |
| H421 | C42 | C43 | C44 | 22.5° | 60.0° |
| H421 | C42 | C43 | H431 | 102.8° | 180.0° |
| H421 | C42 | C43 | H432 | 147.7° | 60.0° |
| H422 | C42 | C43 | C44 | 132.0° | 60.0° |
| H422 | C42 | C43 | H431 | 6.7° | 60.0° |
| H422 | C42 | C43 | H432 | 102.7° | 180.0° |
| C44 | C43 | H431 | H432 | 116.6° | 120.0° |
| C43 | C44 | C45 | H441 | 125.3° | 120.0° |
| C43 | C44 | C45 | H442 | 125.2° | 120.0° |
| C43 | C44 | H441 | H442 | 116.6° | 120.0° |
| C43 | C44 | C45 | C46 | 130.4° | 180.0° |
| C43 | C44 | C45 | H451 | 5.1° | 60.0° |
| C43 | C44 | C45 | H452 | 104.3° | 60.0° |
| H431 | C43 | C44 | C45 | 61.6° | 60.0° |
| H431 | C43 | C44 | H441 | 173.1° | 180.0° |
| H431 | C43 | C44 | H442 | 63.7° | 60.0° |
| H432 | C43 | C44 | C45 | 47.9° | 60.0° |
| H432 | C43 | C44 | H441 | 77.4° | 60.0° |
| H432 | C43 | C44 | H442 | 173.1° | 180.0° |
| C45 | C44 | H441 | H442 | 116.7° | 120.0° |
| C44 | C45 | C46 | H451 | 125.3° | 120.0° |
| C44 | C45 | C46 | H452 | 125.2° | 120.0° |
| C44 | C45 | H451 | H452 | 116.5° | 120.0° |
| C44 | C45 | C46 | C47 | 156.9° | 180.0° |
| C44 | C45 | C46 | H461 | 77.8° | 60.0° |
| C44 | C45 | C46 | H462 | 31.7° | 60.0° |
| H441 | C44 | C45 | C46 | 104.3° | 60.0° |
| H441 | C44 | C45 | H451 | 130.4° | 180.0° |
| H441 | C44 | C45 | H452 | 21.0° | 60.0° |
| H442 | C44 | C45 | C46 | 5.2° | 60.0° |
| H442 | C44 | C45 | H451 | 120.1° | 60.0° |
| H442 | C44 | C45 | H452 | 130.5° | NaN° |
| C46 | C45 | H451 | H452 | 116.6° | 120.0° |
| C45 | C46 | C47 | H461 | 125.2° | 120.0° |
| C45 | C46 | C47 | H462 | 125.2° | 120.0° |
| C45 | C46 | H461 | H462 | 116.5° | 120.0° |
| C45 | C46 | C47 | C48 | 121.5° | 180.0° |
| C45 | C46 | C47 | H471 | 3.7° | 60.0° |
| C45 | C46 | C47 | H472 | 113.2° | 60.0° |
| H451 | C45 | C46 | C47 | 31.6° | 60.0° |
| H451 | C45 | C46 | H461 | 156.9° | NaN° |
| H451 | C45 | C46 | H462 | 93.6° | 60.0° |
| H452 | C45 | C46 | C47 | 77.8° | 60.0° |
| H452 | C45 | C46 | H461 | 47.4° | 60.0° |
| H452 | C45 | C46 | H462 | 156.9° | 180.0° |
| C47 | C46 | H461 | H462 | 116.6° | 120.0° |
| C46 | C47 | C48 | H471 | 125.2° | 119.9° |
| C46 | C47 | C48 | H472 | 125.3° | 120.0° |
| C46 | C47 | H471 | H472 | 116.5° | 120.0° |
| C46 | C47 | C48 | H481 | 180.0° | 60.0° |
| C46 | C47 | C48 | H482 | 54.7° | 60.0° |
| C46 | C47 | C48 | H483 | 54.8° | 180.0° |
| H461 | C46 | C47 | C48 | 113.3° | 60.0° |
| H461 | C46 | C47 | H471 | 121.5° | 180.0° |
| H461 | C46 | C47 | H472 | 12.0° | 60.0° |
| H462 | C46 | C47 | C48 | 3.7° | 60.0° |
| H462 | C46 | C47 | H471 | 129.0° | 60.0° |
| H462 | C46 | C47 | H472 | 121.6° | 180.0° |
| C48 | C47 | H471 | H472 | 116.5° | 120.0° |
| C47 | C48 | H481 | H482 | 125.2° | 120.0° |
| C47 | C48 | H481 | H483 | 125.2° | 120.0° |
| C47 | C48 | H482 | H483 | 116.5° | 119.9° |
| H471 | C47 | C48 | H481 | 54.8° | 180.0° |
| H471 | C47 | C48 | H482 | 180.0° | 60.0° |
| H471 | C47 | C48 | H483 | 70.5° | 60.0° |
| H472 | C47 | C48 | H481 | 54.7° | 60.0° |
| H472 | C47 | C48 | H482 | 70.5° | 179.9° |
| H472 | C47 | C48 | H483 | 180.0° | 60.1° |
| H481 | C48 | H482 | H483 | 116.6° | 120.1° |
| O1P | P | O2P | O3P | 117.2° | 120.0° |
| O1P | P | O2P | O4P | 115.3° | 120.0° |
| O1P | P | O3P | O4P | 120.7° | 120.0° |
| H1P | O1P | P | O2P | 180.0° | 180.0° |
| H1P | O1P | P | O3P | 63.3° | 60.0° |
| H1P | O1P | P | O4P | 64.4° | 60.0° |
| O2P | P | O3P | O4P | 120.5° | 120.0° |
