CPL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | O3P | sing | 1.43Å | 1.49Å | |
| C1 | HC11 | sing | 1.09Å | 1.12Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.45Å | 1.48Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.45Å | 1.46Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4P | sing | 1.43Å | 1.44Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | N | sing | 1.47Å | 1.50Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| C6 | N | sing | 1.47Å | 1.49Å | |
| C6 | HC61 | sing | 1.09Å | 1.12Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C6 | HC63 | sing | 1.09Å | 1.11Å | |
| C7 | N | sing | 1.47Å | 1.45Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C7 | HC73 | sing | 1.09Å | 1.11Å | |
| C8 | N | sing | 1.47Å | 1.45Å | |
| C8 | HC81 | sing | 1.09Å | 1.12Å | |
| C8 | HC82 | sing | 1.09Å | 1.11Å | |
| C8 | HC83 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C11 | O3 | sing | 1.34Å | 1.51Å | |
| C11 | O11 | doub | 1.21Å | 1.28Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.53Å | 1.58Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.59Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | O2 | sing | 1.34Å | 1.50Å | |
| C31 | O31 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| 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 | 1.55Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| 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 | 1.51Å | |
| 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 | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | doub | 1.31Å | 1.35Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.51Å | 1.54Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | doub | 1.31Å | 1.36Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| 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 | 1.50Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.12Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C48 | H483 | sing | 1.09Å | 1.11Å | |
| O1P | P | doub | 1.54Å | 1.53Å | |
| O2P | P | sing | 1.55Å | 1.52Å | |
| O3P | P | sing | 1.61Å | 1.60Å | |
| O4P | P | sing | 1.61Å | 1.56Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3P | 108.1° | 109.5° |
| C2 | C1 | HC11 | 112.7° | 109.5° |
| C2 | C1 | HC12 | 112.7° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C1 | C2 | O2 | 109.3° | 109.5° |
| C1 | C2 | HC2 | 110.3° | 109.5° |
| O3P | C1 | HC11 | 112.7° | 109.5° |
| O3P | C1 | HC12 | 112.7° | 109.5° |
| C1 | O3P | P | 116.0° | 106.8° |
| HC11 | C1 | HC12 | 97.7° | 109.4° |
| C3 | C2 | O2 | 115.1° | 109.4° |
| C3 | C2 | HC2 | 103.8° | 109.5° |
| C2 | C3 | O3 | 102.4° | 109.5° |
| C2 | C3 | HC31 | 114.9° | 109.5° |
| C2 | C3 | HC32 | 114.8° | 109.4° |
| O2 | C2 | HC2 | 106.4° | 109.5° |
| C2 | O2 | C31 | 125.8° | 119.9° |
| O3 | C3 | HC31 | 114.9° | 109.5° |
| O3 | C3 | HC32 | 114.9° | 109.5° |
| C3 | O3 | C11 | 119.7° | 120.0° |
| HC31 | C3 | HC32 | 95.6° | 109.5° |
| C5 | C4 | O4P | 114.5° | 109.5° |
| C5 | C4 | HC41 | 110.4° | 109.5° |
| C5 | C4 | HC42 | 110.4° | 109.5° |
| C4 | C5 | N | 113.5° | 109.5° |
| C4 | C5 | HC51 | 110.8° | 109.5° |
| C4 | C5 | HC52 | 110.8° | 109.4° |
| O4P | C4 | HC41 | 110.4° | 109.5° |
| O4P | C4 | HC42 | 110.4° | 109.5° |
| C4 | O4P | P | 102.7° | 106.8° |
| HC41 | C4 | HC42 | 99.9° | 109.4° |
| N | C5 | HC51 | 110.7° | 109.5° |
| N | C5 | HC52 | 110.7° | 109.5° |
| C5 | N | C6 | 110.2° | 109.4° |
| C5 | N | C7 | 106.1° | 109.5° |
| C5 | N | C8 | 112.3° | 109.5° |
| HC51 | C5 | HC52 | 99.6° | 109.5° |
| N | C6 | HC61 | 110.1° | 109.5° |
| N | C6 | HC62 | 111.9° | 109.5° |
| N | C6 | HC63 | 111.9° | 109.5° |
| C6 | N | C7 | 110.9° | 109.5° |
| C6 | N | C8 | 110.8° | 109.4° |
| HC61 | C6 | HC62 | 112.0° | 109.4° |
| HC61 | C6 | HC63 | 112.0° | 109.5° |
| HC62 | C6 | HC63 | 98.5° | 109.5° |
| N | C7 | HC71 | 106.1° | 109.5° |
| N | C7 | HC72 | 113.5° | 109.5° |
| N | C7 | HC73 | 113.5° | 109.5° |
| C7 | N | C8 | 106.5° | 109.5° |
| HC71 | C7 | HC72 | 113.4° | 109.5° |
| HC71 | C7 | HC73 | 113.5° | 109.5° |
| HC72 | C7 | HC73 | 97.0° | 109.5° |
| N | C8 | HC81 | 112.3° | 109.5° |
| N | C8 | HC82 | 111.2° | 109.5° |
| N | C8 | HC83 | 111.2° | 109.4° |
| HC81 | C8 | HC82 | 111.2° | 109.5° |
| HC81 | C8 | HC83 | 111.1° | 109.5° |
| HC82 | C8 | HC83 | 99.1° | 109.5° |
| C12 | C11 | O3 | 118.1° | 120.0° |
| C12 | C11 | O11 | 120.4° | 120.0° |
| C11 | C12 | C13 | 114.1° | 109.5° |
| C11 | C12 | H121 | 110.5° | 109.5° |
| C11 | C12 | H122 | 110.5° | 109.5° |
| O3 | C11 | O11 | 121.5° | 120.0° |
| C13 | C12 | H121 | 110.5° | 109.5° |
| C13 | C12 | H122 | 110.5° | 109.5° |
| C12 | C13 | C14 | 114.7° | 109.5° |
| C12 | C13 | H131 | 110.4° | 109.5° |
| C12 | C13 | H132 | 110.3° | 109.5° |
| H121 | C12 | H122 | 99.8° | 109.4° |
| C14 | C13 | H131 | 110.3° | 109.5° |
| C14 | C13 | H132 | 110.3° | 109.4° |
| C13 | C14 | C15 | 114.1° | 109.5° |
| C13 | C14 | H141 | 110.5° | 109.5° |
| C13 | C14 | H142 | 110.5° | 109.5° |
| H131 | C13 | H132 | 99.9° | 109.5° |
| C15 | C14 | H141 | 110.5° | 109.4° |
| C15 | C14 | H142 | 110.5° | 109.4° |
| C14 | C15 | C16 | 111.9° | 109.5° |
| C14 | C15 | H151 | 111.3° | 109.5° |
| C14 | C15 | H152 | 111.3° | 109.4° |
| H141 | C14 | H142 | 99.8° | 109.4° |
| C16 | C15 | H151 | 111.3° | 109.5° |
| C16 | C15 | H152 | 111.3° | 109.5° |
| C15 | C16 | C17 | 114.4° | 109.5° |
| C15 | C16 | H161 | 110.5° | 109.5° |
| C15 | C16 | H162 | 110.5° | 109.4° |
| H151 | C15 | H152 | 99.0° | 109.4° |
| C17 | C16 | H161 | 110.4° | 109.5° |
| C17 | C16 | H162 | 110.4° | 109.5° |
| C16 | C17 | C18 | 113.3° | 109.5° |
| C16 | C17 | H171 | 110.8° | 109.5° |
| C16 | C17 | H172 | 110.9° | 109.5° |
| H161 | C16 | H162 | 99.8° | 109.5° |
| C18 | C17 | H171 | 110.8° | 109.5° |
| C18 | C17 | H172 | 110.8° | 109.5° |
| C17 | C18 | C19 | 116.7° | 109.5° |
| C17 | C18 | H181 | 109.6° | 109.4° |
| C17 | C18 | H182 | 109.6° | 109.5° |
| H171 | C17 | H172 | 99.5° | 109.4° |
| C19 | C18 | H181 | 109.6° | 109.5° |
| C19 | C18 | H182 | 109.5° | 109.4° |
| C18 | C19 | C20 | 118.2° | 109.5° |
| C18 | C19 | H191 | 109.1° | 109.5° |
| C18 | C19 | H192 | 109.1° | 109.4° |
| H181 | C18 | H182 | 100.6° | 109.5° |
| C20 | C19 | H191 | 109.0° | 109.6° |
| C20 | C19 | H192 | 109.0° | 109.5° |
| C19 | C20 | C21 | 115.8° | 109.5° |
| C19 | C20 | H201 | 109.9° | 109.5° |
| C19 | C20 | H202 | 110.0° | 109.5° |
| H191 | C19 | H192 | 101.0° | 109.4° |
| C21 | C20 | H201 | 109.9° | 109.5° |
| C21 | C20 | H202 | 109.9° | 109.4° |
| C20 | C21 | C22 | 112.3° | 109.5° |
| C20 | C21 | H211 | 111.2° | 109.5° |
| C20 | C21 | H212 | 111.2° | 109.4° |
| H201 | C20 | H202 | 100.2° | 109.5° |
| C22 | C21 | H211 | 111.2° | 109.5° |
| C22 | C21 | H212 | 111.1° | 109.5° |
| C21 | C22 | C23 | 116.7° | 109.5° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.4° |
| H211 | C21 | H212 | 99.2° | 109.4° |
| C23 | C22 | H221 | 109.6° | 109.5° |
| C23 | C22 | H222 | 109.6° | 109.5° |
| C22 | C23 | C24 | 113.7° | 109.5° |
| C22 | C23 | H231 | 110.7° | 109.5° |
| C22 | C23 | H232 | 110.7° | 109.5° |
| H221 | C22 | H222 | 100.5° | 109.5° |
| C24 | C23 | H231 | 110.7° | 109.5° |
| C24 | C23 | H232 | 110.7° | 109.5° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C23 | C24 | H241 | 111.4° | 109.4° |
| C23 | C24 | H242 | 111.3° | 109.5° |
| H231 | C23 | H232 | 99.6° | 109.4° |
| C25 | C24 | H241 | 111.4° | 109.5° |
| C25 | C24 | H242 | 111.4° | 109.4° |
| C24 | C25 | C26 | 110.5° | 109.5° |
| C24 | C25 | H251 | 111.8° | 109.5° |
| C24 | C25 | H252 | 111.9° | 109.4° |
| H241 | C24 | H242 | 99.0° | 109.5° |
| C26 | C25 | H251 | 111.8° | 109.6° |
| C26 | C25 | H252 | 111.9° | 109.5° |
| C25 | C26 | H261 | 110.5° | 109.5° |
| C25 | C26 | H262 | 111.8° | 109.5° |
| C25 | C26 | H263 | 111.8° | 109.5° |
| H251 | C25 | H252 | 98.6° | 109.4° |
| H261 | C26 | H262 | 111.9° | 109.4° |
| H261 | C26 | H263 | 111.8° | 109.5° |
| H262 | C26 | H263 | 98.6° | 109.5° |
| C32 | C31 | O2 | 117.9° | 120.0° |
| C32 | C31 | O31 | 119.9° | 120.0° |
| C31 | C32 | C33 | 110.6° | 109.5° |
| C31 | C32 | H321 | 111.8° | 109.5° |
| C31 | C32 | H322 | 111.8° | 109.5° |
| O2 | C31 | O31 | 122.2° | 120.0° |
| C33 | C32 | H321 | 111.8° | 109.5° |
| C33 | C32 | H322 | 111.8° | 109.5° |
| C32 | C33 | C34 | 112.5° | 109.5° |
| C32 | C33 | H331 | 111.2° | 109.5° |
| C32 | C33 | H332 | 111.2° | 109.5° |
| H321 | C32 | H322 | 98.6° | 109.5° |
| C34 | C33 | H331 | 111.1° | 109.5° |
| C34 | C33 | H332 | 111.1° | 109.5° |
| C33 | C34 | C35 | 114.2° | 109.5° |
| C33 | C34 | H341 | 110.5° | 109.4° |
| C33 | C34 | H342 | 110.5° | 109.5° |
| H331 | C33 | H332 | 99.2° | 109.5° |
| C35 | C34 | H341 | 110.4° | 109.5° |
| C35 | C34 | H342 | 110.5° | 109.5° |
| C34 | C35 | C36 | 112.1° | 109.5° |
| C34 | C35 | H351 | 111.2° | 109.5° |
| C34 | C35 | H352 | 111.2° | 109.5° |
| H341 | C34 | H342 | 99.8° | 109.5° |
| C36 | C35 | H351 | 111.2° | 109.5° |
| C36 | C35 | H352 | 111.2° | 109.5° |
| C35 | C36 | C37 | 114.4° | 109.5° |
| C35 | C36 | H361 | 110.4° | 109.4° |
| C35 | C36 | H362 | 110.4° | 109.5° |
| H351 | C35 | H352 | 99.1° | 109.5° |
| C37 | C36 | H361 | 110.4° | 109.5° |
| C37 | C36 | H362 | 110.4° | 109.5° |
| C36 | C37 | C38 | 113.2° | 109.5° |
| C36 | C37 | H371 | 110.8° | 109.4° |
| C36 | C37 | H372 | 110.8° | 109.5° |
| H361 | C36 | H362 | 99.8° | 109.5° |
| C38 | C37 | H371 | 110.8° | 109.4° |
| C38 | C37 | H372 | 110.9° | 109.5° |
| C37 | C38 | C39 | 108.8° | 109.5° |
| C37 | C38 | H381 | 112.4° | 109.5° |
| C37 | C38 | H382 | 112.5° | 109.5° |
| H371 | C37 | H372 | 99.5° | 109.5° |
| C39 | C38 | H381 | 112.5° | 109.5° |
| C39 | C38 | H382 | 112.5° | 109.5° |
| C38 | C39 | C40 | 125.0° | 120.0° |
| C38 | C39 | H39 | 124.9° | 120.0° |
| H381 | C38 | H382 | 97.9° | 109.4° |
| C40 | C39 | H39 | 110.1° | 120.0° |
| C39 | C40 | C41 | 123.9° | 120.0° |
| C39 | C40 | H40 | 111.2° | 119.9° |
| C41 | C40 | H40 | 124.9° | 120.0° |
| C40 | C41 | C42 | 107.7° | 109.4° |
| C40 | C41 | H411 | 112.9° | 109.4° |
| C40 | C41 | H412 | 112.9° | 109.5° |
| C42 | C41 | H411 | 112.9° | 109.5° |
| C42 | C41 | H412 | 112.9° | 109.5° |
| C41 | C42 | C43 | 122.7° | 120.0° |
| C41 | C42 | H42 | 125.0° | 120.0° |
| H411 | C41 | H412 | 97.6° | 109.5° |
| C43 | C42 | H42 | 112.4° | 120.0° |
| C42 | C43 | C44 | 122.6° | 120.0° |
| C42 | C43 | H43 | 113.0° | 120.0° |
| C44 | C43 | H43 | 124.4° | 120.0° |
| C43 | C44 | C45 | 114.8° | 109.5° |
| C43 | C44 | H441 | 110.2° | 109.5° |
| C43 | C44 | H442 | 110.3° | 109.5° |
| C45 | C44 | H441 | 110.3° | 109.5° |
| C45 | C44 | H442 | 110.3° | 109.4° |
| C44 | C45 | C46 | 111.3° | 109.5° |
| C44 | C45 | H451 | 111.6° | 109.5° |
| C44 | C45 | H452 | 111.6° | 109.4° |
| H441 | C44 | H442 | 100.1° | 109.5° |
| C46 | C45 | H451 | 111.6° | 109.5° |
| C46 | C45 | H452 | 111.5° | 109.5° |
| C45 | C46 | C47 | 112.8° | 109.4° |
| C45 | C46 | H461 | 111.0° | 109.4° |
| C45 | C46 | H462 | 111.0° | 109.5° |
| H451 | C45 | H452 | 98.8° | 109.5° |
| C47 | C46 | H461 | 111.0° | 109.5° |
| C47 | C46 | H462 | 111.0° | 109.5° |
| C46 | C47 | C48 | 111.8° | 109.4° |
| C46 | C47 | H471 | 111.4° | 109.5° |
| C46 | C47 | H472 | 111.4° | 109.5° |
| H461 | C46 | H462 | 99.4° | 109.5° |
| C48 | C47 | H471 | 111.3° | 109.5° |
| C48 | C47 | H472 | 111.4° | 109.4° |
| C47 | C48 | H481 | 111.8° | 109.5° |
| C47 | C48 | H482 | 111.4° | 109.5° |
| C47 | C48 | H483 | 111.4° | 109.4° |
| H471 | C47 | H472 | 99.0° | 109.5° |
| H481 | C48 | H482 | 111.4° | 109.5° |
| H481 | C48 | H483 | 111.3° | 109.5° |
| H482 | C48 | H483 | 99.0° | 109.4° |
| O1P | P | O2P | 111.5° | 109.5° |
| O1P | P | O3P | 112.1° | 109.5° |
| O1P | P | O4P | 106.6° | 109.5° |
| O2P | P | O3P | 111.7° | 109.5° |
| O2P | P | O4P | 108.5° | 109.4° |
| O3P | P | O4P | 106.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3P | HC11 | 125.3° | 120.0° |
| C2 | C1 | O3P | HC12 | 125.3° | 120.0° |
| C2 | C1 | HC11 | HC12 | 118.6° | 120.0° |
| C1 | C2 | C3 | O2 | 125.4° | 120.0° |
| C1 | C2 | C3 | HC2 | 118.7° | 120.0° |
| C1 | C2 | O2 | HC2 | 119.1° | 120.1° |
| C1 | C2 | C3 | O3 | 179.6° | 55.0° |
| C1 | C2 | C3 | HC31 | 55.2° | 65.0° |
| C1 | C2 | C3 | HC32 | 54.3° | 175.0° |
| C1 | C2 | O2 | C31 | 74.0° | 90.0° |
| C2 | C1 | O3P | P | 144.0° | 180.0° |
| O3P | C1 | HC11 | HC12 | 118.6° | 120.0° |
| O3P | C1 | C2 | C3 | 132.4° | 55.0° |
| O3P | C1 | C2 | O2 | 99.0° | 65.0° |
| O3P | C1 | C2 | HC2 | 17.6° | 175.0° |
| C1 | O3P | P | O1P | 61.0° | 65.0° |
| C1 | O3P | P | O2P | 65.0° | 55.0° |
| C1 | O3P | P | O4P | 176.9° | 174.9° |
| HC11 | C1 | C2 | C3 | 102.3° | 65.0° |
| HC11 | C1 | C2 | O2 | 26.2° | 175.0° |
| HC11 | C1 | C2 | HC2 | 142.9° | 55.0° |
| HC11 | C1 | O3P | P | 90.7° | 60.0° |
| HC12 | C1 | C2 | C3 | 7.2° | 175.0° |
| HC12 | C1 | C2 | O2 | 135.7° | 55.1° |
| HC12 | C1 | C2 | HC2 | 107.7° | 65.0° |
| HC12 | C1 | O3P | P | 18.8° | 60.0° |
| C3 | C2 | O2 | HC2 | 114.4° | 120.0° |
| C2 | C3 | O3 | HC31 | 125.2° | 120.0° |
| C2 | C3 | O3 | HC32 | 125.2° | 120.0° |
| C2 | C3 | HC31 | HC32 | 120.7° | 119.9° |
| C2 | C3 | O3 | C11 | 111.2° | 180.0° |
| C3 | C2 | O2 | C31 | 159.4° | 150.0° |
| O2 | C2 | C3 | O3 | 54.2° | 64.9° |
| O2 | C2 | C3 | HC31 | 179.5° | 175.0° |
| O2 | C2 | C3 | HC32 | 71.1° | 55.0° |
| C2 | O2 | C31 | C32 | 178.0° | 180.0° |
| C2 | O2 | C31 | O31 | 0.3° | 0.0° |
| HC2 | C2 | C3 | O3 | 61.7° | 175.1° |
| HC2 | C2 | C3 | HC31 | 63.6° | 55.0° |
| HC2 | C2 | C3 | HC32 | 173.0° | 65.0° |
| HC2 | C2 | O2 | C31 | 45.0° | 30.0° |
| O3 | C3 | HC31 | HC32 | 120.8° | 120.0° |
| C3 | O3 | C11 | C12 | 176.6° | 179.9° |
| C3 | O3 | C11 | O11 | 0.7° | 0.0° |
| HC31 | C3 | O3 | C11 | 123.5° | 60.0° |
| HC32 | C3 | O3 | C11 | 14.0° | 60.0° |
| C5 | C4 | O4P | HC41 | 125.3° | 120.0° |
| C5 | C4 | O4P | HC42 | 125.3° | 120.0° |
| C5 | C4 | HC41 | HC42 | 116.2° | 120.0° |
| C4 | C5 | N | HC51 | 125.3° | 120.0° |
| C4 | C5 | N | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC52 | 116.6° | 120.0° |
| C4 | C5 | N | C6 | 58.2° | 61.9° |
| C4 | C5 | N | C7 | 178.2° | 178.1° |
| C4 | C5 | N | C8 | 65.8° | 58.1° |
| C5 | C4 | O4P | P | 179.8° | 180.0° |
| O4P | C4 | HC41 | HC42 | 116.2° | 120.0° |
| O4P | C4 | C5 | N | 174.0° | 68.1° |
| O4P | C4 | C5 | HC51 | 60.7° | 171.9° |
| O4P | C4 | C5 | HC52 | 48.8° | 51.9° |
| C4 | O4P | P | O1P | 100.9° | 65.0° |
| C4 | O4P | P | O2P | 139.0° | 55.0° |
| C4 | O4P | P | O3P | 18.8° | 175.0° |
| HC41 | C4 | C5 | N | 60.7° | 52.0° |
| HC41 | C4 | C5 | HC51 | 64.5° | 68.1° |
| HC41 | C4 | C5 | HC52 | 174.0° | 171.9° |
| HC41 | C4 | O4P | P | 54.9° | 59.9° |
| HC42 | C4 | C5 | N | 48.8° | 171.9° |
| HC42 | C4 | C5 | HC51 | 174.0° | 51.9° |
| HC42 | C4 | C5 | HC52 | 76.5° | 68.1° |
| HC42 | C4 | O4P | P | 54.6° | 60.0° |
| N | C5 | HC51 | HC52 | 116.6° | 120.0° |
| C5 | N | C6 | C7 | 117.1° | 120.0° |
| C5 | N | C6 | C8 | 124.8° | 120.0° |
| C5 | N | C6 | HC61 | 180.0° | 60.1° |
| C5 | N | C6 | HC62 | 54.7° | 180.0° |
| C5 | N | C6 | HC63 | 54.7° | 60.0° |
| C5 | N | C7 | C8 | 119.8° | 120.1° |
| C5 | N | C7 | HC71 | 179.9° | 60.0° |
| C5 | N | C7 | HC72 | 54.8° | 180.0° |
| C5 | N | C7 | HC73 | 54.7° | 60.0° |
| C5 | N | C8 | HC81 | 179.9° | 70.1° |
| C5 | N | C8 | HC82 | 54.7° | 169.8° |
| C5 | N | C8 | HC83 | 54.7° | 49.8° |
| HC51 | C5 | N | C6 | 176.6° | 58.2° |
| HC51 | C5 | N | C7 | 56.5° | 61.8° |
| HC51 | C5 | N | C8 | 59.5° | 178.1° |
| HC52 | C5 | N | C6 | 67.1° | 178.2° |
| HC52 | C5 | N | C7 | 52.9° | 58.1° |
| HC52 | C5 | N | C8 | 168.9° | 61.9° |
| N | C6 | HC61 | HC62 | 125.2° | 120.0° |
| N | C6 | HC61 | HC63 | 125.2° | 120.1° |
| N | C6 | HC62 | HC63 | 117.9° | 120.1° |
| C6 | N | C7 | C8 | 120.6° | 120.0° |
| C6 | N | C7 | HC71 | 60.5° | 180.0° |
| C6 | N | C7 | HC72 | 174.4° | 60.0° |
| C6 | N | C7 | HC73 | 64.9° | 60.0° |
| C6 | N | C8 | HC81 | 56.5° | 49.8° |
| C6 | N | C8 | HC82 | 68.9° | 70.2° |
| C6 | N | C8 | HC83 | 178.3° | 169.8° |
| HC61 | C6 | HC62 | HC63 | 117.9° | 120.0° |
| HC61 | C6 | N | C7 | 62.9° | 60.0° |
| HC61 | C6 | N | C8 | 55.2° | 179.9° |
| HC62 | C6 | N | C7 | 62.4° | 59.9° |
| HC62 | C6 | N | C8 | 179.5° | 60.0° |
| HC63 | C6 | N | C7 | 171.9° | 180.0° |
| HC63 | C6 | N | C8 | 70.1° | 60.0° |
| N | C7 | HC71 | HC72 | 125.2° | 120.0° |
| N | C7 | HC71 | HC73 | 125.3° | 120.0° |
| N | C7 | HC72 | HC73 | 119.4° | 120.0° |
| C7 | N | C8 | HC81 | 64.2° | 169.8° |
| C7 | N | C8 | HC82 | 170.4° | 49.8° |
| C7 | N | C8 | HC83 | 61.0° | 70.2° |
| HC71 | C7 | HC72 | HC73 | 119.4° | 120.0° |
| HC71 | C7 | N | C8 | 60.1° | 60.0° |
| HC72 | C7 | N | C8 | 65.0° | 60.0° |
| HC73 | C7 | N | C8 | 174.5° | 180.0° |
| N | C8 | HC81 | HC82 | 125.4° | 120.0° |
| N | C8 | HC81 | HC83 | 125.2° | 119.9° |
| N | C8 | HC82 | HC83 | 117.1° | 120.0° |
| HC81 | C8 | HC82 | HC83 | 117.0° | 120.0° |
| C12 | C11 | O3 | O11 | 177.3° | 180.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 116.4° | 120.0° |
| C11 | C12 | C13 | C14 | 111.6° | 180.0° |
| C11 | C12 | C13 | H131 | 123.1° | 60.0° |
| C11 | C12 | C13 | H132 | 13.6° | 60.0° |
| O3 | C11 | C12 | C13 | 111.7° | 180.0° |
| O3 | C11 | C12 | H121 | 13.5° | 60.0° |
| O3 | C11 | C12 | H122 | 123.0° | 60.0° |
| O11 | C11 | C12 | C13 | 65.6° | 0.1° |
| O11 | C11 | C12 | H121 | 169.2° | 120.0° |
| O11 | C11 | C12 | H122 | 59.7° | 120.0° |
| C13 | C12 | H121 | H122 | 116.4° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 116.2° | 120.1° |
| C12 | C13 | C14 | C15 | 152.8° | 180.0° |
| C12 | C13 | C14 | H141 | 82.0° | 60.0° |
| C12 | C13 | C14 | H142 | 27.5° | 60.0° |
| H121 | C12 | C13 | C14 | 13.6° | 60.0° |
| H121 | C12 | C13 | H131 | 111.7° | 180.0° |
| H121 | C12 | C13 | H132 | 138.8° | 60.0° |
| H122 | C12 | C13 | C14 | 123.1° | 60.0° |
| H122 | C12 | C13 | H131 | 2.2° | 60.0° |
| H122 | C12 | C13 | H132 | 111.6° | 180.0° |
| C14 | C13 | H131 | H132 | 116.1° | 119.9° |
| C13 | C14 | C15 | H141 | 125.2° | 120.1° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 116.4° | 120.0° |
| C13 | C14 | C15 | C16 | 139.7° | NaN° |
| C13 | C14 | C15 | H151 | 95.0° | 60.0° |
| C13 | C14 | C15 | H152 | 14.5° | 60.0° |
| H131 | C13 | C14 | C15 | 27.5° | 60.0° |
| H131 | C13 | C14 | H141 | 152.7° | 180.0° |
| H131 | C13 | C14 | H142 | 97.8° | 60.0° |
| H132 | C13 | C14 | C15 | 81.9° | 60.0° |
| H132 | C13 | C14 | H141 | 43.3° | 60.0° |
| H132 | C13 | C14 | H142 | 152.8° | 180.0° |
| C15 | C14 | H141 | H142 | 116.4° | 119.9° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 117.2° | 119.9° |
| C14 | C15 | C16 | C17 | 135.2° | 180.0° |
| C14 | C15 | C16 | H161 | 10.0° | 60.0° |
| C14 | C15 | C16 | H162 | 99.5° | 60.0° |
| H141 | C14 | C15 | C16 | 14.5° | 59.9° |
| H141 | C14 | C15 | H151 | 139.8° | 180.0° |
| H141 | C14 | C15 | H152 | 110.7° | 60.1° |
| H142 | C14 | C15 | C16 | 95.0° | 60.0° |
| H142 | C14 | C15 | H151 | 30.3° | 60.1° |
| H142 | C14 | C15 | H152 | 139.8° | 180.0° |
| C16 | C15 | H151 | H152 | 117.2° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 116.3° | 119.9° |
| C15 | C16 | C17 | C18 | 60.4° | 180.0° |
| C15 | C16 | C17 | H171 | 174.4° | 60.0° |
| C15 | C16 | C17 | H172 | 64.9° | 60.0° |
| H151 | C15 | C16 | C17 | 99.5° | 60.0° |
| H151 | C15 | C16 | H161 | 135.3° | 180.0° |
| H151 | C15 | C16 | H162 | 25.8° | 60.0° |
| H152 | C15 | C16 | C17 | 10.0° | 60.0° |
| H152 | C15 | C16 | H161 | 115.2° | 60.0° |
| H152 | C15 | C16 | H162 | 135.3° | 180.0° |
| C17 | C16 | H161 | H162 | 116.2° | 120.1° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | C18 | H172 | 125.3° | 120.1° |
| C16 | C17 | H171 | H172 | 116.7° | 120.0° |
| C16 | C17 | C18 | C19 | 167.9° | 180.0° |
| C16 | C17 | C18 | H181 | 66.9° | 60.1° |
| C16 | C17 | C18 | H182 | 42.6° | 60.0° |
| H161 | C16 | C17 | C18 | 64.9° | 60.0° |
| H161 | C16 | C17 | H171 | 60.3° | 180.0° |
| H161 | C16 | C17 | H172 | 169.8° | 60.0° |
| H162 | C16 | C17 | C18 | 174.3° | 60.0° |
| H162 | C16 | C17 | H171 | 49.1° | 60.0° |
| H162 | C16 | C17 | H172 | 60.4° | 180.0° |
| C18 | C17 | H171 | H172 | 116.7° | 120.0° |
| C17 | C18 | C19 | H181 | 125.3° | 119.9° |
| C17 | C18 | C19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 115.4° | 120.1° |
| C17 | C18 | C19 | C20 | 169.6° | 179.9° |
| C17 | C18 | C19 | H191 | 44.3° | 60.0° |
| C17 | C18 | C19 | H192 | 65.2° | 60.0° |
| H171 | C17 | C18 | C19 | 42.6° | 60.0° |
| H171 | C17 | C18 | H181 | 167.9° | 180.0° |
| H171 | C17 | C18 | H182 | 82.6° | 59.9° |
| H172 | C17 | C18 | C19 | 66.8° | 60.0° |
| H172 | C17 | C18 | H181 | 58.5° | 60.0° |
| H172 | C17 | C18 | H182 | 168.0° | 179.9° |
| C19 | C18 | H181 | H182 | 115.3° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.0° |
| C18 | C19 | C20 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H192 | 114.8° | 119.9° |
| C18 | C19 | C20 | C21 | 32.9° | 180.0° |
| C18 | C19 | C20 | H201 | 92.3° | 60.0° |
| C18 | C19 | C20 | H202 | 158.2° | 60.1° |
| H181 | C18 | C19 | C20 | 65.1° | 60.0° |
| H181 | C18 | C19 | H191 | 169.6° | 179.9° |
| H181 | C18 | C19 | H192 | 60.1° | 60.0° |
| H182 | C18 | C19 | C20 | 44.3° | 60.1° |
| H182 | C18 | C19 | H191 | 80.9° | 60.0° |
| H182 | C18 | C19 | H192 | 169.6° | 180.0° |
| C20 | C19 | H191 | H192 | 114.7° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.1° |
| C19 | C20 | C21 | H202 | 125.3° | 119.9° |
| C19 | C20 | H201 | H202 | 115.8° | 120.0° |
| C19 | C20 | C21 | C22 | 134.4° | 180.0° |
| C19 | C20 | C21 | H211 | 9.2° | 59.9° |
| C19 | C20 | C21 | H212 | 100.4° | 60.0° |
| H191 | C19 | C20 | C21 | 158.2° | 60.0° |
| H191 | C19 | C20 | H201 | 32.9° | 180.0° |
| H191 | C19 | C20 | H202 | 76.5° | 60.0° |
| H192 | C19 | C20 | C21 | 92.4° | 60.0° |
| H192 | C19 | C20 | H201 | 142.4° | 60.0° |
| H192 | C19 | C20 | H202 | 32.9° | 180.0° |
| C21 | C20 | H201 | H202 | 115.7° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.1° |
| C20 | C21 | C22 | H212 | 125.2° | 120.0° |
| C20 | C21 | H211 | H212 | 117.1° | 120.0° |
| C20 | C21 | C22 | C23 | 138.9° | 180.0° |
| C20 | C21 | C22 | H221 | 13.7° | 60.0° |
| C20 | C21 | C22 | H222 | 95.8° | 60.0° |
| H201 | C20 | C21 | C22 | 100.3° | 60.0° |
| H201 | C20 | C21 | H211 | 134.4° | 180.0° |
| H201 | C20 | C21 | H212 | 24.9° | 60.0° |
| H202 | C20 | C21 | C22 | 9.1° | 60.0° |
| H202 | C20 | C21 | H211 | 116.2° | 60.0° |
| H202 | C20 | C21 | H212 | 134.3° | 180.0° |
| C22 | C21 | H211 | H212 | 117.0° | 120.0° |
| C21 | C22 | C23 | H221 | 125.2° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 115.4° | 119.9° |
| C21 | C22 | C23 | C24 | 75.2° | 180.0° |
| C21 | C22 | C23 | H231 | 50.1° | 60.0° |
| C21 | C22 | C23 | H232 | 159.5° | 60.0° |
| H211 | C21 | C22 | C23 | 95.8° | 60.0° |
| H211 | C21 | C22 | H221 | 139.0° | 180.0° |
| H211 | C21 | C22 | H222 | 29.5° | 60.0° |
| H212 | C21 | C22 | C23 | 13.7° | 60.0° |
| H212 | C21 | C22 | H221 | 111.5° | 60.0° |
| H212 | C21 | C22 | H222 | 139.0° | 180.0° |
| C23 | C22 | H221 | H222 | 115.4° | 120.1° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.3° | 120.1° |
| C22 | C23 | H231 | H232 | 116.5° | 120.0° |
| C22 | C23 | C24 | C25 | 120.2° | 180.0° |
| C22 | C23 | C24 | H241 | 5.1° | 60.1° |
| C22 | C23 | C24 | H242 | 114.6° | 60.0° |
| H221 | C22 | C23 | C24 | 159.6° | 60.0° |
| H221 | C22 | C23 | H231 | 75.1° | 180.0° |
| H221 | C22 | C23 | H232 | 34.3° | 60.0° |
| H222 | C22 | C23 | C24 | 50.1° | 60.0° |
| H222 | C22 | C23 | H231 | 175.4° | 60.0° |
| H222 | C22 | C23 | H232 | 75.2° | 180.0° |
| C24 | C23 | H231 | H232 | 116.5° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 119.9° |
| C23 | C24 | C25 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H242 | 117.2° | 120.1° |
| C23 | C24 | C25 | C26 | 129.5° | 179.9° |
| C23 | C24 | C25 | H251 | 4.3° | 60.0° |
| C23 | C24 | C25 | H252 | 105.2° | 60.0° |
| H231 | C23 | C24 | C25 | 114.5° | 60.0° |
| H231 | C23 | C24 | H241 | 120.2° | 180.0° |
| H231 | C23 | C24 | H242 | 10.7° | 60.0° |
| H232 | C23 | C24 | C25 | 5.1° | 60.0° |
| H232 | C23 | C24 | H241 | 130.4° | 60.0° |
| H232 | C23 | C24 | H242 | 120.2° | 179.9° |
| C25 | C24 | H241 | H242 | 117.3° | 120.0° |
| C24 | C25 | C26 | H251 | 125.2° | 120.0° |
| C24 | C25 | C26 | H252 | 125.3° | 120.0° |
| C24 | C25 | H251 | H252 | 117.8° | 119.9° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C24 | C25 | C26 | H262 | 54.7° | 60.1° |
| C24 | C25 | C26 | H263 | 54.8° | 60.0° |
| H241 | C24 | C25 | C26 | 105.3° | 60.0° |
| H241 | C24 | C25 | H251 | 129.5° | 179.9° |
| H241 | C24 | C25 | H252 | 20.1° | 60.0° |
| H242 | C24 | C25 | C26 | 4.3° | 60.0° |
| H242 | C24 | C25 | H251 | 121.0° | 60.1° |
| H242 | C24 | C25 | H252 | 129.6° | 180.0° |
| C26 | C25 | H251 | H252 | 117.7° | 120.0° |
| C25 | C26 | H261 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H263 | 125.2° | 120.0° |
| C25 | C26 | H262 | H263 | 117.7° | 120.1° |
| H251 | C25 | C26 | H261 | 54.7° | 60.0° |
| H251 | C25 | C26 | H262 | 180.0° | 60.0° |
| H251 | C25 | C26 | H263 | 70.5° | 180.0° |
| H252 | C25 | C26 | H261 | 54.7° | 60.0° |
| H252 | C25 | C26 | H262 | 70.6° | 180.0° |
| H252 | C25 | C26 | H263 | 179.9° | 60.0° |
| H261 | C26 | H262 | H263 | 117.7° | 120.0° |
| C32 | C31 | O2 | O31 | 177.7° | 180.0° |
| C31 | C32 | C33 | H321 | 125.2° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 117.8° | 120.0° |
| C31 | C32 | C33 | C34 | 97.0° | 180.0° |
| C31 | C32 | C33 | H331 | 28.2° | 60.0° |
| C31 | C32 | C33 | H332 | 137.7° | 60.0° |
| O2 | C31 | C32 | C33 | 104.8° | 180.0° |
| O2 | C31 | C32 | H321 | 130.0° | 60.0° |
| O2 | C31 | C32 | H322 | 20.5° | 60.0° |
| O31 | C31 | C32 | C33 | 77.5° | 0.0° |
| O31 | C31 | C32 | H321 | 47.7° | 120.0° |
| O31 | C31 | C32 | H322 | 157.3° | 120.0° |
| C33 | C32 | H321 | H322 | 117.7° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 120.0° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 117.0° | 120.0° |
| C32 | C33 | C34 | C35 | 110.9° | 180.0° |
| C32 | C33 | C34 | H341 | 123.9° | 60.0° |
| C32 | C33 | C34 | H342 | 14.4° | 60.0° |
| H321 | C32 | C33 | C34 | 137.7° | 60.0° |
| H321 | C32 | C33 | H331 | 97.0° | 180.0° |
| H321 | C32 | C33 | H332 | 12.5° | 60.1° |
| H322 | C32 | C33 | C34 | 28.3° | 60.0° |
| H322 | C32 | C33 | H331 | 153.5° | 60.0° |
| H322 | C32 | C33 | H332 | 97.0° | 179.9° |
| C34 | C33 | H331 | H332 | 116.9° | 120.0° |
| C33 | C34 | C35 | H341 | 125.2° | 120.0° |
| C33 | C34 | C35 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 116.3° | 120.0° |
| C33 | C34 | C35 | C36 | 159.7° | 180.0° |
| C33 | C34 | C35 | H351 | 75.1° | 60.0° |
| C33 | C34 | C35 | H352 | 34.4° | 60.0° |
| H331 | C33 | C34 | C35 | 14.4° | 60.0° |
| H331 | C33 | C34 | H341 | 110.8° | 180.0° |
| H331 | C33 | C34 | H342 | 139.7° | 60.0° |
| H332 | C33 | C34 | C35 | 123.8° | 60.0° |
| H332 | C33 | C34 | H341 | 1.4° | 60.0° |
| H332 | C33 | C34 | H342 | 110.9° | 180.0° |
| C35 | C34 | H341 | H342 | 116.3° | 120.0° |
| C34 | C35 | C36 | H351 | 125.3° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 117.1° | 120.0° |
| C34 | C35 | C36 | C37 | 91.7° | 180.0° |
| C34 | C35 | C36 | H361 | 143.0° | 60.0° |
| C34 | C35 | C36 | H362 | 33.6° | 60.0° |
| H341 | C34 | C35 | C36 | 34.4° | 60.0° |
| H341 | C34 | C35 | H351 | 159.7° | 179.9° |
| H341 | C34 | C35 | H352 | 90.8° | 60.0° |
| H342 | C34 | C35 | C36 | 75.0° | 60.0° |
| H342 | C34 | C35 | H351 | 50.2° | 60.0° |
| H342 | C34 | C35 | H352 | 159.7° | 180.0° |
| C36 | C35 | H351 | H352 | 117.1° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H362 | 116.3° | 120.0° |
| C35 | C36 | C37 | C38 | 57.8° | 180.0° |
| C35 | C36 | C37 | H371 | 176.9° | 60.1° |
| C35 | C36 | C37 | H372 | 67.4° | 60.0° |
| H351 | C35 | C36 | C37 | 33.6° | 60.0° |
| H351 | C35 | C36 | H361 | 91.7° | 180.0° |
| H351 | C35 | C36 | H362 | 158.9° | 60.0° |
| H352 | C35 | C36 | C37 | 143.0° | 60.0° |
| H352 | C35 | C36 | H361 | 17.8° | 60.0° |
| H352 | C35 | C36 | H362 | 91.7° | 180.0° |
| C37 | C36 | H361 | H362 | 116.2° | 120.1° |
| C36 | C37 | C38 | H371 | 125.2° | 119.9° |
| C36 | C37 | C38 | H372 | 125.3° | 120.0° |
| C36 | C37 | H371 | H372 | 116.7° | 120.0° |
| C36 | C37 | C38 | C39 | 129.1° | 180.0° |
| C36 | C37 | C38 | H381 | 3.8° | 60.0° |
| C36 | C37 | C38 | H382 | 105.6° | 59.9° |
| H361 | C36 | C37 | C38 | 67.4° | 60.0° |
| H361 | C36 | C37 | H371 | 57.8° | 180.0° |
| H361 | C36 | C37 | H372 | 167.3° | 60.0° |
| H362 | C36 | C37 | C38 | 176.8° | 60.0° |
| H362 | C36 | C37 | H371 | 51.6° | 59.9° |
| H362 | C36 | C37 | H372 | 57.9° | 180.0° |
| C38 | C37 | H371 | H372 | 116.7° | 120.1° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | H381 | H382 | 118.3° | 120.0° |
| C37 | C38 | C39 | C40 | 172.7° | 127.6° |
| C37 | C38 | C39 | H39 | 7.3° | 52.4° |
| H371 | C37 | C38 | C39 | 105.7° | 60.0° |
| H371 | C37 | C38 | H381 | 129.0° | 179.9° |
| H371 | C37 | C38 | H382 | 19.6° | 60.0° |
| H372 | C37 | C38 | C39 | 3.8° | 60.1° |
| H372 | C37 | C38 | H381 | 121.5° | 60.0° |
| H372 | C37 | C38 | H382 | 129.1° | 179.9° |
| C39 | C38 | H381 | H382 | 118.4° | 120.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 2.6° | 7.8° |
| C38 | C39 | C40 | H40 | 177.4° | 172.2° |
| H381 | C38 | C39 | C40 | 47.5° | 7.5° |
| H381 | C38 | C39 | H39 | 132.6° | 172.4° |
| H382 | C38 | C39 | C40 | 62.0° | 112.4° |
| H382 | C38 | C39 | H39 | 117.9° | 67.6° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 90.7° | 126.7° |
| C39 | C40 | C41 | H411 | 144.0° | 113.3° |
| C39 | C40 | C41 | H412 | 34.5° | 6.7° |
| H39 | C39 | C40 | C41 | 177.3° | 172.2° |
| H39 | C39 | C40 | H40 | 2.6° | 7.8° |
| C40 | C41 | C42 | H411 | 125.3° | 119.9° |
| C40 | C41 | C42 | H412 | 125.2° | 120.0° |
| C40 | C41 | H411 | H412 | 118.8° | 120.0° |
| C40 | C41 | C42 | C43 | 139.8° | 126.8° |
| C40 | C41 | C42 | H42 | 40.3° | 53.3° |
| H40 | C40 | C41 | C42 | 89.2° | 53.3° |
| H40 | C40 | C41 | H411 | 36.0° | 66.7° |
| H40 | C40 | C41 | H412 | 145.5° | 173.3° |
| C42 | C41 | H411 | H412 | 118.8° | 120.1° |
| C41 | C42 | C43 | H42 | 179.9° | 179.9° |
| C41 | C42 | C43 | C44 | 1.3° | 7.9° |
| C41 | C42 | C43 | H43 | 178.7° | 172.2° |
| H411 | C41 | C42 | C43 | 14.5° | 6.8° |
| H411 | C41 | C42 | H42 | 165.6° | 173.3° |
| H412 | C41 | C42 | C43 | 95.0° | 113.3° |
| H412 | C41 | C42 | H42 | 84.9° | 66.7° |
| C42 | C43 | C44 | H43 | 179.9° | 179.9° |
| C42 | C43 | C44 | C45 | 73.1° | 126.7° |
| C42 | C43 | C44 | H441 | 161.6° | 113.3° |
| C42 | C43 | C44 | H442 | 52.1° | 6.7° |
| H42 | C42 | C43 | C44 | 178.8° | 172.0° |
| H42 | C42 | C43 | H43 | 1.3° | 7.9° |
| C43 | C44 | C45 | H441 | 125.2° | 120.0° |
| C43 | C44 | C45 | H442 | 125.2° | 120.0° |
| C43 | C44 | H441 | H442 | 116.1° | 120.0° |
| C43 | C44 | C45 | C46 | 120.3° | 180.0° |
| C43 | C44 | C45 | H451 | 114.4° | 60.0° |
| C43 | C44 | C45 | H452 | 5.0° | 60.0° |
| H43 | C43 | C44 | C45 | 106.8° | 53.2° |
| H43 | C43 | C44 | H441 | 18.4° | 66.8° |
| H43 | C43 | C44 | H442 | 128.0° | 173.2° |
| C45 | C44 | H441 | H442 | 116.1° | 119.9° |
| C44 | C45 | C46 | H451 | 125.3° | 120.0° |
| C44 | C45 | C46 | H452 | 125.2° | 120.0° |
| C44 | C45 | H451 | H452 | 117.5° | 119.9° |
| C44 | C45 | C46 | C47 | 56.2° | 180.0° |
| C44 | C45 | C46 | H461 | 69.1° | 60.0° |
| C44 | C45 | C46 | H462 | 178.6° | 60.0° |
| H441 | C44 | C45 | C46 | 5.0° | 60.0° |
| H441 | C44 | C45 | H451 | 120.3° | 180.0° |
| H441 | C44 | C45 | H452 | 130.2° | 60.0° |
| H442 | C44 | C45 | C46 | 114.5° | 60.0° |
| H442 | C44 | C45 | H451 | 10.8° | 60.0° |
| H442 | C44 | C45 | H452 | 120.3° | NaN° |
| C46 | C45 | H451 | H452 | 117.4° | 120.0° |
| C45 | C46 | C47 | H461 | 125.3° | 119.9° |
| C45 | C46 | C47 | H462 | 125.2° | 120.0° |
| C45 | C46 | H461 | H462 | 116.8° | 120.0° |
| C45 | C46 | C47 | C48 | 148.7° | 180.0° |
| C45 | C46 | C47 | H471 | 23.5° | 60.0° |
| C45 | C46 | C47 | H472 | 86.0° | 60.0° |
| H451 | C45 | C46 | C47 | 178.5° | 60.0° |
| H451 | C45 | C46 | H461 | 56.2° | 180.0° |
| H451 | C45 | C46 | H462 | 53.3° | 60.0° |
| H452 | C45 | C46 | C47 | 69.0° | 60.0° |
| H452 | C45 | C46 | H461 | 165.7° | 59.9° |
| H452 | C45 | C46 | H462 | 56.2° | 180.0° |
| C47 | C46 | H461 | H462 | 116.9° | 120.1° |
| C46 | C47 | C48 | H471 | 125.3° | 120.0° |
| C46 | C47 | C48 | H472 | 125.3° | 120.0° |
| C46 | C47 | H471 | H472 | 117.3° | 120.1° |
| C46 | C47 | C48 | H481 | 180.0° | 60.0° |
| C46 | C47 | C48 | H482 | 54.7° | 60.0° |
| C46 | C47 | C48 | H483 | 54.8° | 179.9° |
| H461 | C46 | C47 | C48 | 86.0° | 60.1° |
| H461 | C46 | C47 | H471 | 148.8° | 180.0° |
| H461 | C46 | C47 | H472 | 39.3° | 59.9° |
| H462 | C46 | C47 | C48 | 23.5° | 60.0° |
| H462 | C46 | C47 | H471 | 101.7° | 60.0° |
| H462 | C46 | C47 | H472 | 148.8° | 179.9° |
| C48 | C47 | H471 | H472 | 117.2° | 120.0° |
| C47 | C48 | H481 | H482 | 125.3° | 120.0° |
| C47 | C48 | H481 | H483 | 125.2° | 120.0° |
| C47 | C48 | H482 | H483 | 117.3° | 119.9° |
| H471 | C47 | C48 | H481 | 54.7° | 180.0° |
| H471 | C47 | C48 | H482 | 180.0° | 60.0° |
| H471 | C47 | C48 | H483 | 70.5° | 60.0° |
| H472 | C47 | C48 | H481 | 54.8° | 60.0° |
| H472 | C47 | C48 | H482 | 70.6° | 180.0° |
| H472 | C47 | C48 | H483 | 179.9° | 60.1° |
| H481 | C48 | H482 | H483 | 117.2° | 120.0° |
| O1P | P | O2P | O3P | 126.3° | 120.0° |
| O1P | P | O2P | O4P | 117.1° | 120.0° |
| O1P | P | O3P | O4P | 116.0° | 120.0° |
| O2P | P | O3P | O4P | 118.1° | 120.0° |
