PC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | doub | 1.54Å | 1.51Å | |
| P | OP3 | sing | 1.54Å | 1.51Å | |
| P | OP4 | sing | 1.61Å | 1.62Å | |
| P | OP1 | sing | 1.61Å | 1.62Å | |
| OP4 | CE1 | sing | 1.43Å | 1.43Å | |
| CE1 | CE2 | sing | 1.53Å | 1.53Å | |
| CE1 | HE11 | sing | 1.09Å | 1.11Å | |
| CE1 | HE12 | sing | 1.09Å | 1.11Å | |
| CE2 | NM3 | sing | 1.47Å | 1.48Å | |
| CE2 | HE21 | sing | 1.09Å | 1.12Å | |
| CE2 | HE22 | sing | 1.09Å | 1.11Å | |
| NM3 | CM3 | sing | 1.47Å | 1.47Å | |
| NM3 | CM2 | sing | 1.47Å | 1.47Å | |
| NM3 | CM1 | sing | 1.47Å | 1.48Å | |
| CM3 | HM31 | sing | 1.09Å | 1.11Å | |
| CM3 | HM32 | sing | 1.09Å | 1.12Å | |
| CM3 | HM33 | sing | 1.09Å | 1.12Å | |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.12Å | |
| CM2 | HM23 | sing | 1.09Å | 1.12Å | |
| CM1 | HM11 | sing | 1.09Å | 1.11Å | |
| CM1 | HM12 | sing | 1.09Å | 1.11Å | |
| CM1 | HM13 | sing | 1.09Å | 1.12Å | |
| OP1 | C39 | sing | 1.43Å | 1.43Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | O38 | sing | 1.45Å | 1.43Å | |
| C38 | H38 | sing | 1.09Å | 1.12Å | |
| C40 | O40 | sing | 1.45Å | 1.43Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| O40 | C26 | sing | 1.34Å | 1.46Å | |
| C26 | O26 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| 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 | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| 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 | 1.11Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å | |
| O38 | C1 | sing | 1.34Å | 1.46Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| 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 | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP3 | 117.4° | 109.5° |
| OP2 | P | OP4 | 105.1° | 109.5° |
| OP2 | P | OP1 | 109.2° | 109.5° |
| OP3 | P | OP4 | 107.4° | 109.5° |
| OP3 | P | OP1 | 110.5° | 109.5° |
| OP4 | P | OP1 | 106.6° | 109.5° |
| P | OP4 | CE1 | 121.3° | 106.8° |
| P | OP1 | C39 | 123.0° | 106.8° |
| OP4 | CE1 | CE2 | 109.5° | 109.5° |
| OP4 | CE1 | HE11 | 112.2° | 109.4° |
| OP4 | CE1 | HE12 | 112.2° | 109.5° |
| CE2 | CE1 | HE11 | 112.2° | 109.5° |
| CE2 | CE1 | HE12 | 112.2° | 109.5° |
| CE1 | CE2 | NM3 | 116.2° | 109.4° |
| CE1 | CE2 | HE21 | 109.7° | 109.5° |
| CE1 | CE2 | HE22 | 109.7° | 109.5° |
| HE11 | CE1 | HE12 | 98.2° | 109.4° |
| NM3 | CE2 | HE21 | 109.8° | 109.4° |
| NM3 | CE2 | HE22 | 109.8° | 109.5° |
| CE2 | NM3 | CM3 | 107.6° | 109.5° |
| CE2 | NM3 | CM2 | 111.6° | 109.5° |
| CE2 | NM3 | CM1 | 110.3° | 109.5° |
| HE21 | CE2 | HE22 | 100.4° | 109.5° |
| CM3 | NM3 | CM2 | 107.7° | 109.4° |
| CM3 | NM3 | CM1 | 109.3° | 109.5° |
| NM3 | CM3 | HM31 | 107.6° | 109.5° |
| NM3 | CM3 | HM32 | 112.9° | 109.5° |
| NM3 | CM3 | HM33 | 112.9° | 109.5° |
| CM2 | NM3 | CM1 | 110.2° | 109.5° |
| NM3 | CM2 | HM21 | 111.7° | 109.5° |
| NM3 | CM2 | HM22 | 111.4° | 109.5° |
| NM3 | CM2 | HM23 | 111.4° | 109.5° |
| NM3 | CM1 | HM11 | 110.2° | 109.5° |
| NM3 | CM1 | HM12 | 111.9° | 109.4° |
| NM3 | CM1 | HM13 | 111.9° | 109.5° |
| HM31 | CM3 | HM32 | 112.9° | 109.5° |
| HM31 | CM3 | HM33 | 112.9° | 109.5° |
| HM32 | CM3 | HM33 | 97.5° | 109.4° |
| HM21 | CM2 | HM22 | 111.4° | 109.5° |
| HM21 | CM2 | HM23 | 111.4° | 109.4° |
| HM22 | CM2 | HM23 | 98.9° | 109.5° |
| HM11 | CM1 | HM12 | 112.0° | 109.5° |
| HM11 | CM1 | HM13 | 111.9° | 109.5° |
| HM12 | CM1 | HM13 | 98.5° | 109.5° |
| OP1 | C39 | C38 | 115.5° | 109.5° |
| OP1 | C39 | H391 | 110.0° | 109.5° |
| OP1 | C39 | H392 | 110.1° | 109.5° |
| C38 | C39 | H391 | 110.0° | 109.4° |
| C38 | C39 | H392 | 110.0° | 109.5° |
| C39 | C38 | C40 | 111.3° | 109.5° |
| C39 | C38 | O38 | 110.0° | 109.4° |
| C39 | C38 | H38 | 107.4° | 109.4° |
| H391 | C39 | H392 | 100.2° | 109.5° |
| C40 | C38 | O38 | 107.7° | 109.5° |
| C40 | C38 | H38 | 109.6° | 109.5° |
| C38 | C40 | O40 | 112.6° | 109.5° |
| C38 | C40 | H401 | 111.0° | 109.5° |
| C38 | C40 | H402 | 111.1° | 109.5° |
| O38 | C38 | H38 | 110.9° | 109.5° |
| C38 | O38 | C1 | 119.6° | 120.0° |
| O40 | C40 | H401 | 111.0° | 109.4° |
| O40 | C40 | H402 | 111.1° | 109.5° |
| C40 | O40 | C26 | 121.6° | 120.0° |
| H401 | C40 | H402 | 99.3° | 109.5° |
| O40 | C26 | O26 | 119.5° | 120.0° |
| O40 | C26 | C27 | 120.4° | 120.0° |
| O26 | C26 | C27 | 120.1° | 120.0° |
| C26 | C27 | C28 | 109.4° | 109.4° |
| C26 | C27 | H271 | 112.2° | 109.4° |
| C26 | C27 | H272 | 112.2° | 109.5° |
| C28 | C27 | H271 | 112.2° | 109.5° |
| C28 | C27 | H272 | 112.2° | 109.5° |
| C27 | C28 | C29 | 112.4° | 109.5° |
| C27 | C28 | H281 | 111.1° | 109.5° |
| C27 | C28 | H282 | 111.1° | 109.5° |
| H271 | C27 | H272 | 98.2° | 109.5° |
| C29 | C28 | H281 | 111.1° | 109.5° |
| C29 | C28 | H282 | 111.1° | 109.4° |
| C28 | C29 | C30 | 111.4° | 109.5° |
| C28 | C29 | H291 | 111.5° | 109.5° |
| C28 | C29 | H292 | 111.5° | 109.5° |
| H281 | C28 | H282 | 99.3° | 109.5° |
| C30 | C29 | H291 | 111.5° | 109.5° |
| C30 | C29 | H292 | 111.4° | 109.4° |
| C29 | C30 | C31 | 110.4° | 109.5° |
| C29 | C30 | H301 | 111.8° | 109.5° |
| C29 | C30 | H302 | 111.9° | 109.4° |
| H291 | C29 | H292 | 98.9° | 109.5° |
| C31 | C30 | H301 | 111.9° | 109.5° |
| C31 | C30 | H302 | 111.9° | 109.5° |
| C30 | C31 | C32 | 114.4° | 109.4° |
| C30 | C31 | H311 | 110.4° | 109.5° |
| C30 | C31 | H312 | 110.4° | 109.5° |
| H301 | C30 | H302 | 98.5° | 109.5° |
| C32 | C31 | H311 | 110.4° | 109.5° |
| C32 | C31 | H312 | 110.4° | 109.5° |
| C31 | C32 | C33 | 113.0° | 109.4° |
| C31 | C32 | H321 | 110.9° | 109.5° |
| C31 | C32 | H322 | 110.9° | 109.5° |
| H311 | C31 | H312 | 99.9° | 109.5° |
| C33 | C32 | H321 | 110.9° | 109.5° |
| C33 | C32 | H322 | 110.9° | 109.5° |
| C32 | C33 | C34 | 113.6° | 109.5° |
| C32 | C33 | H331 | 110.7° | 109.5° |
| C32 | C33 | H332 | 110.7° | 109.5° |
| H321 | C32 | H322 | 99.4° | 109.5° |
| C34 | C33 | H331 | 110.7° | 109.5° |
| C34 | C33 | H332 | 110.7° | 109.4° |
| C33 | C34 | C35 | 112.9° | 109.5° |
| C33 | C34 | H341 | 111.0° | 109.5° |
| C33 | C34 | H342 | 110.9° | 109.4° |
| H331 | C33 | H332 | 99.5° | 109.5° |
| C35 | C34 | H341 | 110.9° | 109.5° |
| C35 | C34 | H342 | 110.9° | 109.5° |
| C34 | C35 | C36 | 111.8° | 109.5° |
| C34 | C35 | H351 | 111.3° | 109.5° |
| C34 | C35 | H352 | 111.4° | 109.5° |
| H341 | C34 | H342 | 99.4° | 109.4° |
| C36 | C35 | H351 | 111.3° | 109.4° |
| C36 | C35 | H352 | 111.3° | 109.5° |
| C35 | C36 | C37 | 110.4° | 109.5° |
| C35 | C36 | H361 | 111.9° | 109.4° |
| C35 | C36 | H362 | 111.8° | 109.5° |
| H351 | C35 | H352 | 99.1° | 109.5° |
| C37 | C36 | H361 | 111.9° | 109.4° |
| C37 | C36 | H362 | 111.8° | 109.5° |
| C36 | C37 | H371 | 110.4° | 109.4° |
| C36 | C37 | H372 | 111.8° | 109.4° |
| C36 | C37 | H373 | 111.9° | 109.5° |
| H361 | C36 | H362 | 98.5° | 109.5° |
| H371 | C37 | H372 | 111.8° | 109.5° |
| H371 | C37 | H373 | 111.9° | 109.5° |
| H372 | C37 | H373 | 98.6° | 109.4° |
| O38 | C1 | O1 | 121.0° | 120.1° |
| O38 | C1 | C2 | 118.6° | 120.0° |
| O1 | C1 | C2 | 120.4° | 119.9° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | H21 | 112.0° | 109.5° |
| C1 | C2 | H22 | 112.0° | 109.4° |
| C3 | C2 | H21 | 111.9° | 109.5° |
| C3 | C2 | H22 | 112.0° | 109.5° |
| C2 | C3 | C4 | 114.8° | 109.5° |
| C2 | C3 | H31 | 110.3° | 109.5° |
| C2 | C3 | H32 | 110.3° | 109.4° |
| H21 | C2 | H22 | 98.5° | 109.5° |
| C4 | C3 | H31 | 110.2° | 109.5° |
| C4 | C3 | H32 | 110.2° | 109.5° |
| C3 | C4 | C5 | 111.9° | 109.4° |
| C3 | C4 | H41 | 111.3° | 109.5° |
| C3 | C4 | H42 | 111.3° | 109.5° |
| H31 | C3 | H32 | 99.9° | 109.4° |
| C5 | C4 | H41 | 111.3° | 109.5° |
| C5 | C4 | H42 | 111.3° | 109.5° |
| C4 | C5 | C6 | 112.9° | 109.5° |
| C4 | C5 | H51 | 111.0° | 109.5° |
| C4 | C5 | H52 | 111.0° | 109.5° |
| H41 | C4 | H42 | 99.1° | 109.5° |
| C6 | C5 | H51 | 110.9° | 109.5° |
| C6 | C5 | H52 | 110.9° | 109.5° |
| C5 | C6 | C7 | 111.5° | 109.5° |
| C5 | C6 | H61 | 111.5° | 109.5° |
| C5 | C6 | H62 | 111.5° | 109.5° |
| H51 | C5 | H52 | 99.4° | 109.5° |
| C7 | C6 | H61 | 111.4° | 109.5° |
| C7 | C6 | H62 | 111.4° | 109.5° |
| C6 | C7 | C8 | 112.7° | 109.5° |
| C6 | C7 | H71 | 111.1° | 109.5° |
| C6 | C7 | H72 | 111.0° | 109.5° |
| H61 | C6 | H62 | 98.9° | 109.5° |
| C8 | C7 | H71 | 111.0° | 109.5° |
| C8 | C7 | H72 | 111.0° | 109.4° |
| C7 | C8 | C9 | 111.3° | 109.5° |
| C7 | C8 | H81 | 111.6° | 109.5° |
| C7 | C8 | H82 | 111.6° | 109.4° |
| H71 | C7 | H72 | 99.3° | 109.4° |
| C9 | C8 | H81 | 111.5° | 109.5° |
| C9 | C8 | H82 | 111.5° | 109.5° |
| C8 | C9 | C10 | 114.6° | 109.5° |
| C8 | C9 | H91 | 110.4° | 109.5° |
| C8 | C9 | H92 | 110.3° | 109.4° |
| H81 | C8 | H82 | 98.8° | 109.4° |
| C10 | C9 | H91 | 110.3° | 109.5° |
| C10 | C9 | H92 | 110.3° | 109.5° |
| C9 | C10 | C11 | 114.0° | 109.4° |
| C9 | C10 | H101 | 110.6° | 109.5° |
| C9 | C10 | H102 | 110.6° | 109.5° |
| H91 | C9 | H92 | 99.9° | 109.5° |
| C11 | C10 | H101 | 110.6° | 109.4° |
| C11 | C10 | H102 | 110.6° | 109.5° |
| C10 | C11 | C12 | 113.8° | 109.5° |
| C10 | C11 | H111 | 110.7° | 109.5° |
| C10 | C11 | H112 | 110.7° | 109.5° |
| H101 | C10 | H102 | 99.7° | 109.5° |
| C12 | C11 | H111 | 110.6° | 109.5° |
| C12 | C11 | H112 | 110.6° | 109.5° |
| C11 | C12 | C13 | 113.7° | 109.5° |
| C11 | C12 | H121 | 110.7° | 109.5° |
| C11 | C12 | H122 | 110.7° | 109.5° |
| H111 | C11 | H112 | 99.6° | 109.5° |
| C13 | C12 | H121 | 110.6° | 109.5° |
| C13 | C12 | H122 | 110.7° | 109.5° |
| C12 | C13 | C14 | 113.8° | 109.5° |
| C12 | C13 | H131 | 110.7° | 109.5° |
| C12 | C13 | H132 | 110.6° | 109.5° |
| H121 | C12 | H122 | 99.7° | 109.5° |
| C14 | C13 | H131 | 110.6° | 109.5° |
| C14 | C13 | H132 | 110.6° | 109.5° |
| C13 | C14 | C15 | 113.8° | 109.5° |
| C13 | C14 | H141 | 110.6° | 109.5° |
| C13 | C14 | H142 | 110.6° | 109.5° |
| H131 | C13 | H132 | 99.6° | 109.5° |
| C15 | C14 | H141 | 110.6° | 109.5° |
| C15 | C14 | H142 | 110.6° | 109.5° |
| C14 | C15 | C16 | 111.1° | 109.4° |
| C14 | C15 | H151 | 111.6° | 109.5° |
| C14 | C15 | H152 | 111.6° | 109.5° |
| H141 | C14 | H142 | 99.7° | 109.5° |
| C16 | C15 | H151 | 111.7° | 109.5° |
| C16 | C15 | H152 | 111.6° | 109.5° |
| C15 | C16 | C17 | 114.5° | 109.5° |
| C15 | C16 | H161 | 110.3° | 109.5° |
| C15 | C16 | H162 | 110.4° | 109.5° |
| H151 | C15 | H152 | 98.7° | 109.5° |
| C17 | C16 | H161 | 110.4° | 109.4° |
| C17 | C16 | H162 | 110.4° | 109.4° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C16 | C17 | H171 | 111.0° | 109.4° |
| C16 | C17 | H172 | 111.0° | 109.4° |
| H161 | C16 | H162 | 99.9° | 109.5° |
| C18 | C17 | H171 | 111.0° | 109.5° |
| C18 | C17 | H172 | 111.0° | 109.5° |
| C17 | C18 | C19 | 113.5° | 109.4° |
| C17 | C18 | H181 | 110.7° | 109.5° |
| C17 | C18 | H182 | 110.7° | 109.5° |
| H171 | C17 | H172 | 99.3° | 109.5° |
| C19 | C18 | H181 | 110.7° | 109.5° |
| C19 | C18 | H182 | 110.8° | 109.5° |
| C18 | C19 | C20 | 113.4° | 109.5° |
| C18 | C19 | H191 | 110.8° | 109.5° |
| C18 | C19 | H192 | 110.7° | 109.5° |
| H181 | C18 | H182 | 99.6° | 109.5° |
| C20 | C19 | H191 | 110.8° | 109.5° |
| C20 | C19 | H192 | 110.8° | 109.5° |
| C19 | C20 | C21 | 113.5° | 109.5° |
| C19 | C20 | H201 | 110.8° | 109.5° |
| C19 | C20 | H202 | 110.7° | 109.5° |
| H191 | C19 | H192 | 99.6° | 109.5° |
| C21 | C20 | H201 | 110.7° | 109.5° |
| C21 | C20 | H202 | 110.7° | 109.5° |
| C20 | C21 | C22 | 111.8° | 109.5° |
| C20 | C21 | H211 | 111.4° | 109.5° |
| C20 | C21 | H212 | 111.3° | 109.5° |
| H201 | C20 | H202 | 99.6° | 109.5° |
| C22 | C21 | H211 | 111.3° | 109.5° |
| C22 | C21 | H212 | 111.4° | 109.5° |
| C21 | C22 | C23 | 112.1° | 109.5° |
| C21 | C22 | H221 | 111.2° | 109.5° |
| C21 | C22 | H222 | 111.2° | 109.5° |
| H211 | C21 | H212 | 99.0° | 109.5° |
| C23 | C22 | H221 | 111.3° | 109.5° |
| C23 | C22 | H222 | 111.2° | 109.5° |
| C22 | C23 | C24 | 112.9° | 109.4° |
| C22 | C23 | H231 | 110.9° | 109.4° |
| C22 | C23 | H232 | 110.9° | 109.5° |
| H221 | C22 | H222 | 99.1° | 109.5° |
| C24 | C23 | H231 | 110.9° | 109.5° |
| C24 | C23 | H232 | 110.9° | 109.5° |
| C23 | C24 | C25 | 109.4° | 109.5° |
| C23 | C24 | H241 | 112.2° | 109.5° |
| C23 | C24 | H242 | 112.2° | 109.5° |
| H231 | C23 | H232 | 99.4° | 109.5° |
| C25 | C24 | H241 | 112.2° | 109.5° |
| C25 | C24 | H242 | 112.2° | 109.4° |
| C24 | C25 | H251 | 109.4° | 109.5° |
| C24 | C25 | H252 | 112.2° | 109.5° |
| C24 | C25 | H253 | 112.2° | 109.5° |
| H241 | C24 | H242 | 98.2° | 109.5° |
| H251 | C25 | H252 | 112.2° | 109.5° |
| H251 | C25 | H253 | 112.2° | 109.5° |
| H252 | C25 | H253 | 98.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP3 | OP4 | 118.0° | 120.0° |
| OP2 | P | OP3 | OP1 | 126.1° | 120.0° |
| OP2 | P | OP4 | OP1 | 115.9° | 120.0° |
| OP2 | P | OP4 | CE1 | 63.8° | 65.0° |
| OP2 | P | OP1 | C39 | 118.0° | 65.0° |
| OP3 | P | OP4 | OP1 | 118.4° | 120.0° |
| OP3 | P | OP4 | CE1 | 61.9° | 55.0° |
| OP3 | P | OP1 | C39 | 12.6° | 55.0° |
| P | OP4 | CE1 | CE2 | 91.3° | 180.0° |
| P | OP4 | CE1 | HE11 | 143.5° | 60.0° |
| P | OP4 | CE1 | HE12 | 34.0° | 60.0° |
| OP4 | P | OP1 | C39 | 128.9° | 175.0° |
| OP1 | P | OP4 | CE1 | 179.7° | 175.0° |
| P | OP1 | C39 | C38 | 168.5° | 180.0° |
| P | OP1 | C39 | H391 | 66.3° | 60.0° |
| P | OP1 | C39 | H392 | 43.2° | 60.0° |
| OP4 | CE1 | CE2 | HE11 | 125.3° | 120.0° |
| OP4 | CE1 | CE2 | HE12 | 125.3° | 120.0° |
| OP4 | CE1 | HE11 | HE12 | 118.1° | 120.0° |
| OP4 | CE1 | CE2 | NM3 | 134.3° | 66.5° |
| OP4 | CE1 | CE2 | HE21 | 9.0° | 173.5° |
| OP4 | CE1 | CE2 | HE22 | 100.4° | 53.5° |
| CE2 | CE1 | HE11 | HE12 | 118.1° | 120.0° |
| CE1 | CE2 | NM3 | HE21 | 125.3° | 120.0° |
| CE1 | CE2 | NM3 | HE22 | 125.3° | 120.0° |
| CE1 | CE2 | HE21 | HE22 | 115.5° | 120.0° |
| CE1 | CE2 | NM3 | CM3 | 175.3° | 54.5° |
| CE1 | CE2 | NM3 | CM2 | 66.7° | 174.4° |
| CE1 | CE2 | NM3 | CM1 | 56.1° | 65.6° |
| HE11 | CE1 | CE2 | NM3 | 100.5° | 53.5° |
| HE11 | CE1 | CE2 | HE21 | 134.2° | 66.5° |
| HE11 | CE1 | CE2 | HE22 | 24.8° | 173.4° |
| HE12 | CE1 | CE2 | NM3 | 9.0° | 173.5° |
| HE12 | CE1 | CE2 | HE21 | 116.3° | 53.5° |
| HE12 | CE1 | CE2 | HE22 | 134.3° | 66.6° |
| NM3 | CE2 | HE21 | HE22 | 115.6° | 120.0° |
| CE2 | NM3 | CM3 | CM2 | 120.5° | 120.0° |
| CE2 | NM3 | CM3 | CM1 | 119.8° | 120.0° |
| CE2 | NM3 | CM2 | CM1 | 122.9° | 120.0° |
| CE2 | NM3 | CM3 | HM31 | 180.0° | 60.0° |
| CE2 | NM3 | CM3 | HM32 | 54.7° | 180.0° |
| CE2 | NM3 | CM3 | HM33 | 54.7° | 60.0° |
| CE2 | NM3 | CM2 | HM21 | 180.0° | 60.0° |
| CE2 | NM3 | CM2 | HM22 | 54.7° | 180.0° |
| CE2 | NM3 | CM2 | HM23 | 54.7° | 60.0° |
| CE2 | NM3 | CM1 | HM11 | 180.0° | 71.0° |
| CE2 | NM3 | CM1 | HM12 | 54.7° | 169.0° |
| CE2 | NM3 | CM1 | HM13 | 54.7° | 49.0° |
| HE21 | CE2 | NM3 | CM3 | 59.4° | 65.5° |
| HE21 | CE2 | NM3 | CM2 | 58.5° | 54.4° |
| HE21 | CE2 | NM3 | CM1 | 178.6° | 174.4° |
| HE22 | CE2 | NM3 | CM3 | 50.0° | 174.4° |
| HE22 | CE2 | NM3 | CM2 | 168.0° | 65.6° |
| HE22 | CE2 | NM3 | CM1 | 69.2° | 54.4° |
| CM3 | NM3 | CM2 | CM1 | 119.2° | 120.0° |
| NM3 | CM3 | HM31 | HM32 | 125.2° | 120.0° |
| NM3 | CM3 | HM31 | HM33 | 125.3° | 120.0° |
| NM3 | CM3 | HM32 | HM33 | 118.8° | 120.0° |
| CM3 | NM3 | CM2 | HM21 | 62.1° | 180.0° |
| CM3 | NM3 | CM2 | HM22 | 172.6° | 60.0° |
| CM3 | NM3 | CM2 | HM23 | 63.2° | 60.0° |
| CM3 | NM3 | CM1 | HM11 | 61.9° | 49.0° |
| CM3 | NM3 | CM1 | HM12 | 63.4° | 71.0° |
| CM3 | NM3 | CM1 | HM13 | 172.9° | 169.1° |
| CM2 | NM3 | CM3 | HM31 | 59.5° | 60.0° |
| CM2 | NM3 | CM3 | HM32 | 65.8° | 60.0° |
| CM2 | NM3 | CM3 | HM33 | 175.2° | 180.0° |
| NM3 | CM2 | HM21 | HM22 | 125.3° | 120.0° |
| NM3 | CM2 | HM21 | HM23 | 125.3° | 120.0° |
| NM3 | CM2 | HM22 | HM23 | 117.3° | 120.0° |
| CM2 | NM3 | CM1 | HM11 | 56.3° | 169.0° |
| CM2 | NM3 | CM1 | HM12 | 178.4° | 49.0° |
| CM2 | NM3 | CM1 | HM13 | 68.9° | 70.9° |
| CM1 | NM3 | CM3 | HM31 | 60.3° | 180.0° |
| CM1 | NM3 | CM3 | HM32 | 174.5° | 60.0° |
| CM1 | NM3 | CM3 | HM33 | 65.1° | 60.0° |
| CM1 | NM3 | CM2 | HM21 | 57.1° | 60.0° |
| CM1 | NM3 | CM2 | HM22 | 68.2° | 60.0° |
| CM1 | NM3 | CM2 | HM23 | 177.6° | 180.0° |
| NM3 | CM1 | HM11 | HM12 | 125.3° | 119.9° |
| NM3 | CM1 | HM11 | HM13 | 125.2° | 120.0° |
| NM3 | CM1 | HM12 | HM13 | 117.8° | 120.0° |
| HM31 | CM3 | HM32 | HM33 | 118.9° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 117.3° | 120.0° |
| HM11 | CM1 | HM12 | HM13 | 117.9° | 120.1° |
| OP1 | C39 | C38 | H391 | 125.2° | 120.0° |
| OP1 | C39 | C38 | H392 | 125.3° | 120.0° |
| OP1 | C39 | H391 | H392 | 115.9° | 120.0° |
| OP1 | C39 | C38 | C40 | 66.7° | 55.0° |
| OP1 | C39 | C38 | O38 | 173.9° | 65.0° |
| OP1 | C39 | C38 | H38 | 53.2° | 175.0° |
| C38 | C39 | H391 | H392 | 115.8° | 120.0° |
| C39 | C38 | C40 | O38 | 120.7° | 120.0° |
| C39 | C38 | C40 | H38 | 118.6° | 120.0° |
| C39 | C38 | O38 | H38 | 118.6° | 119.9° |
| C39 | C38 | C40 | O40 | 69.1° | 55.0° |
| C39 | C38 | C40 | H401 | 165.6° | 175.0° |
| C39 | C38 | C40 | H402 | 56.2° | 65.0° |
| C39 | C38 | O38 | C1 | 149.9° | 90.0° |
| H391 | C39 | C38 | C40 | 58.5° | 65.0° |
| H391 | C39 | C38 | O38 | 60.9° | 175.0° |
| H391 | C39 | C38 | H38 | 178.4° | 55.0° |
| H392 | C39 | C38 | C40 | 168.0° | 175.0° |
| H392 | C39 | C38 | O38 | 48.6° | 55.0° |
| H392 | C39 | C38 | H38 | 72.1° | 65.0° |
| C40 | C38 | O38 | H38 | 119.9° | 120.1° |
| C38 | C40 | O40 | H401 | 125.2° | 120.0° |
| C38 | C40 | O40 | H402 | 125.3° | 120.0° |
| C38 | C40 | H401 | H402 | 116.9° | 120.0° |
| C38 | C40 | O40 | C26 | 137.5° | 180.0° |
| C40 | C38 | O38 | C1 | 88.6° | 150.0° |
| O38 | C38 | C40 | O40 | 51.6° | 64.9° |
| O38 | C38 | C40 | H401 | 73.7° | 55.0° |
| O38 | C38 | C40 | H402 | 176.9° | 175.0° |
| C38 | O38 | C1 | O1 | 11.2° | 0.1° |
| C38 | O38 | C1 | C2 | 168.9° | 180.0° |
| H38 | C38 | C40 | O40 | 172.3° | 175.0° |
| H38 | C38 | C40 | H401 | 47.0° | 65.0° |
| H38 | C38 | C40 | H402 | 62.4° | 55.0° |
| H38 | C38 | O38 | C1 | 31.3° | 29.9° |
| O40 | C40 | H401 | H402 | 116.9° | 120.0° |
| C40 | O40 | C26 | O26 | 60.7° | 0.0° |
| C40 | O40 | C26 | C27 | 119.4° | 180.0° |
| H401 | C40 | O40 | C26 | 12.2° | 60.0° |
| H402 | C40 | O40 | C26 | 97.3° | 59.9° |
| O40 | C26 | O26 | C27 | 180.0° | 180.0° |
| O40 | C26 | C27 | C28 | 154.8° | 180.0° |
| O40 | C26 | C27 | H271 | 29.6° | 60.1° |
| O40 | C26 | C27 | H272 | 79.9° | 60.0° |
| O26 | C26 | C27 | C28 | 25.2° | 0.0° |
| O26 | C26 | C27 | H271 | 150.4° | 120.0° |
| O26 | C26 | C27 | H272 | 100.1° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.0° |
| C26 | C27 | C28 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H272 | 118.2° | 120.0° |
| C26 | C27 | C28 | C29 | 178.2° | 180.0° |
| C26 | C27 | C28 | H281 | 56.5° | 60.0° |
| C26 | C27 | C28 | H282 | 53.0° | 60.0° |
| C28 | C27 | H271 | H272 | 118.1° | 120.0° |
| C27 | C28 | C29 | H281 | 125.2° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 117.0° | 120.0° |
| C27 | C28 | C29 | C30 | 178.7° | 180.0° |
| C27 | C28 | C29 | H291 | 56.1° | 60.0° |
| C27 | C28 | C29 | H292 | 53.5° | 60.0° |
| H271 | C27 | C28 | C29 | 52.9° | 60.0° |
| H271 | C27 | C28 | H281 | 178.2° | 180.0° |
| H271 | C27 | C28 | H282 | 72.3° | 59.9° |
| H272 | C27 | C28 | C29 | 56.5° | 60.0° |
| H272 | C27 | C28 | H281 | 68.7° | 60.0° |
| H272 | C27 | C28 | H282 | 178.2° | 180.0° |
| C29 | C28 | H281 | H282 | 117.0° | 120.0° |
| C28 | C29 | C30 | H291 | 125.3° | 120.0° |
| C28 | C29 | C30 | H292 | 125.2° | 120.0° |
| C28 | C29 | H291 | H292 | 117.4° | 120.0° |
| C28 | C29 | C30 | C31 | 88.9° | 180.0° |
| C28 | C29 | C30 | H301 | 145.9° | 60.0° |
| C28 | C29 | C30 | H302 | 36.5° | 60.0° |
| H281 | C28 | C29 | C30 | 53.4° | 60.0° |
| H281 | C28 | C29 | H291 | 178.7° | NaN° |
| H281 | C28 | C29 | H292 | 71.8° | 60.0° |
| H282 | C28 | C29 | C30 | 56.1° | 60.0° |
| H282 | C28 | C29 | H291 | 69.2° | 60.0° |
| H282 | C28 | C29 | H292 | 178.7° | 180.0° |
| C30 | C29 | H291 | H292 | 117.4° | 119.9° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 117.7° | 119.9° |
| C29 | C30 | C31 | C32 | 155.2° | 180.0° |
| C29 | C30 | C31 | H311 | 29.9° | 60.0° |
| C29 | C30 | C31 | H312 | 79.6° | 60.0° |
| H291 | C29 | C30 | C31 | 36.4° | 60.0° |
| H291 | C29 | C30 | H301 | 88.9° | 180.0° |
| H291 | C29 | C30 | H302 | 161.7° | 60.0° |
| H292 | C29 | C30 | C31 | 145.9° | 60.0° |
| H292 | C29 | C30 | H301 | 20.6° | 60.0° |
| H292 | C29 | C30 | H302 | 88.8° | 180.0° |
| C31 | C30 | H301 | H302 | 117.8° | 120.0° |
| C30 | C31 | C32 | H311 | 125.3° | 120.0° |
| C30 | C31 | C32 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H312 | 116.2° | 120.0° |
| C30 | C31 | C32 | C33 | 98.6° | 180.0° |
| C30 | C31 | C32 | H321 | 26.6° | 60.0° |
| C30 | C31 | C32 | H322 | 136.1° | 60.0° |
| H301 | C30 | C31 | C32 | 79.6° | 60.0° |
| H301 | C30 | C31 | H311 | 155.2° | 180.0° |
| H301 | C30 | C31 | H312 | 45.6° | 60.0° |
| H302 | C30 | C31 | C32 | 29.9° | 60.0° |
| H302 | C30 | C31 | H311 | 95.4° | 60.0° |
| H302 | C30 | C31 | H312 | 155.1° | 180.0° |
| C32 | C31 | H311 | H312 | 116.3° | 120.0° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 116.8° | 120.0° |
| C31 | C32 | C33 | C34 | 148.5° | 180.0° |
| C31 | C32 | C33 | H331 | 23.2° | 60.0° |
| C31 | C32 | C33 | H332 | 86.2° | 60.0° |
| H311 | C31 | C32 | C33 | 136.1° | 60.0° |
| H311 | C31 | C32 | H321 | 98.7° | 180.0° |
| H311 | C31 | C32 | H322 | 10.8° | 60.0° |
| H312 | C31 | C32 | C33 | 26.6° | 60.0° |
| H312 | C31 | C32 | H321 | 151.8° | 60.0° |
| H312 | C31 | C32 | H322 | 98.7° | 180.0° |
| C33 | C32 | H321 | H322 | 116.8° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 120.0° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 116.5° | 120.0° |
| C32 | C33 | C34 | C35 | 49.8° | 180.0° |
| C32 | C33 | C34 | H341 | 75.5° | 60.0° |
| C32 | C33 | C34 | H342 | 175.0° | 59.9° |
| H321 | C32 | C33 | C34 | 86.3° | 60.0° |
| H321 | C32 | C33 | H331 | 148.4° | 180.0° |
| H321 | C32 | C33 | H332 | 39.0° | 60.0° |
| H322 | C32 | C33 | C34 | 23.2° | 60.0° |
| H322 | C32 | C33 | H331 | 102.1° | 60.0° |
| H322 | C32 | C33 | H332 | 148.5° | 180.0° |
| C34 | C33 | H331 | H332 | 116.5° | 119.9° |
| C33 | C34 | C35 | H341 | 125.3° | 120.0° |
| C33 | C34 | C35 | H342 | 125.2° | 120.0° |
| C33 | C34 | H341 | H342 | 116.8° | 119.9° |
| C33 | C34 | C35 | C36 | 140.0° | 180.0° |
| C33 | C34 | C35 | H351 | 14.8° | 60.0° |
| C33 | C34 | C35 | H352 | 94.7° | 60.0° |
| H331 | C33 | C34 | C35 | 175.1° | 60.0° |
| H331 | C33 | C34 | H341 | 49.8° | 180.0° |
| H331 | C33 | C34 | H342 | 59.7° | 60.1° |
| H332 | C33 | C34 | C35 | 75.5° | 60.0° |
| H332 | C33 | C34 | H341 | 159.2° | 60.0° |
| H332 | C33 | C34 | H342 | 49.7° | 180.0° |
| C35 | C34 | H341 | H342 | 116.8° | 120.0° |
| C34 | C35 | C36 | H351 | 125.2° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 117.3° | 120.0° |
| C34 | C35 | C36 | C37 | 180.0° | 180.0° |
| C34 | C35 | C36 | H361 | 54.7° | 60.0° |
| C34 | C35 | C36 | H362 | 54.7° | 60.0° |
| H341 | C34 | C35 | C36 | 94.7° | 60.0° |
| H341 | C34 | C35 | H351 | 140.1° | 180.0° |
| H341 | C34 | C35 | H352 | 30.6° | 60.0° |
| H342 | C34 | C35 | C36 | 14.8° | 59.9° |
| H342 | C34 | C35 | H351 | 110.4° | 60.0° |
| H342 | C34 | C35 | H352 | 140.1° | 180.0° |
| C36 | C35 | H351 | H352 | 117.2° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.2° | 120.0° |
| C35 | C36 | H361 | H362 | 117.8° | 120.0° |
| C35 | C36 | C37 | H371 | 180.0° | 180.0° |
| C35 | C36 | C37 | H372 | 54.8° | 60.0° |
| C35 | C36 | C37 | H373 | 54.8° | 59.9° |
| H351 | C35 | C36 | C37 | 54.8° | 60.0° |
| H351 | C35 | C36 | H361 | 180.0° | 180.0° |
| H351 | C35 | C36 | H362 | 70.5° | 60.0° |
| H352 | C35 | C36 | C37 | 54.7° | 59.9° |
| H352 | C35 | C36 | H361 | 70.5° | 60.0° |
| H352 | C35 | C36 | H362 | 180.0° | 180.0° |
| C37 | C36 | H361 | H362 | 117.7° | 120.0° |
| C36 | C37 | H371 | H372 | 125.2° | 119.9° |
| C36 | C37 | H371 | H373 | 125.3° | 120.0° |
| C36 | C37 | H372 | H373 | 117.8° | 120.0° |
| H361 | C36 | C37 | H371 | 54.7° | 60.0° |
| H361 | C36 | C37 | H372 | 179.9° | 180.0° |
| H361 | C36 | C37 | H373 | 70.5° | 60.0° |
| H362 | C36 | C37 | H371 | 54.7° | 60.0° |
| H362 | C36 | C37 | H372 | 70.4° | 60.0° |
| H362 | C36 | C37 | H373 | 180.0° | 180.0° |
| H371 | C37 | H372 | H373 | 117.8° | 120.1° |
| O38 | C1 | O1 | C2 | 179.9° | 179.9° |
| O38 | C1 | C2 | C3 | 139.7° | 180.0° |
| O38 | C1 | C2 | H21 | 14.5° | 59.9° |
| O38 | C1 | C2 | H22 | 95.0° | 60.0° |
| O1 | C1 | C2 | C3 | 40.2° | 0.1° |
| O1 | C1 | C2 | H21 | 165.4° | 120.0° |
| O1 | C1 | C2 | H22 | 85.0° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.9° | 120.0° |
| C1 | C2 | C3 | C4 | 150.4° | 180.0° |
| C1 | C2 | C3 | H31 | 84.3° | 59.9° |
| C1 | C2 | C3 | H32 | 25.2° | 60.0° |
| C3 | C2 | H21 | H22 | 117.9° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.1° | 119.9° |
| C2 | C3 | C4 | C5 | 126.2° | 179.9° |
| C2 | C3 | C4 | H41 | 0.9° | 60.0° |
| C2 | C3 | C4 | H42 | 108.6° | 60.1° |
| H21 | C2 | C3 | C4 | 25.2° | 60.0° |
| H21 | C2 | C3 | H31 | 150.4° | 179.9° |
| H21 | C2 | C3 | H32 | 100.1° | 60.0° |
| H22 | C2 | C3 | C4 | 84.3° | 60.0° |
| H22 | C2 | C3 | H31 | 41.0° | 60.1° |
| H22 | C2 | C3 | H32 | 150.4° | 179.9° |
| C4 | C3 | H31 | H32 | 116.0° | 120.1° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.2° | 120.1° |
| C3 | C4 | C5 | C6 | 148.7° | 180.0° |
| C3 | C4 | C5 | H51 | 23.4° | 60.0° |
| C3 | C4 | C5 | H52 | 86.1° | 60.0° |
| H31 | C3 | C4 | C5 | 108.6° | 60.0° |
| H31 | C3 | C4 | H41 | 126.2° | 180.0° |
| H31 | C3 | C4 | H42 | 16.7° | 60.0° |
| H32 | C3 | C4 | C5 | 0.8° | 60.0° |
| H32 | C3 | C4 | H41 | 124.4° | 60.0° |
| H32 | C3 | C4 | H42 | 126.1° | 180.0° |
| C5 | C4 | H41 | H42 | 117.2° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 116.9° | 120.1° |
| C4 | C5 | C6 | C7 | 159.6° | 180.0° |
| C4 | C5 | C6 | H61 | 75.2° | 60.0° |
| C4 | C5 | C6 | H62 | 34.4° | 60.0° |
| H41 | C4 | C5 | C6 | 86.1° | 60.0° |
| H41 | C4 | C5 | H51 | 148.7° | 180.0° |
| H41 | C4 | C5 | H52 | 39.2° | 60.0° |
| H42 | C4 | C5 | C6 | 23.4° | 60.0° |
| H42 | C4 | C5 | H51 | 101.8° | 60.0° |
| H42 | C4 | C5 | H52 | 148.6° | 180.0° |
| C6 | C5 | H51 | H52 | 116.8° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.4° | 120.0° |
| C5 | C6 | C7 | C8 | 157.9° | 180.0° |
| C5 | C6 | C7 | H71 | 32.7° | 60.0° |
| C5 | C6 | C7 | H72 | 76.8° | 60.0° |
| H51 | C5 | C6 | C7 | 34.3° | 60.0° |
| H51 | C5 | C6 | H61 | 159.6° | 180.0° |
| H51 | C5 | C6 | H62 | 90.9° | 60.0° |
| H52 | C5 | C6 | C7 | 75.1° | 60.0° |
| H52 | C5 | C6 | H61 | 50.1° | 60.0° |
| H52 | C5 | C6 | H62 | 159.7° | 180.0° |
| C7 | C6 | H61 | H62 | 117.3° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 116.9° | 120.0° |
| C6 | C7 | C8 | C9 | 168.0° | 180.0° |
| C6 | C7 | C8 | H81 | 66.8° | 60.0° |
| C6 | C7 | C8 | H82 | 42.7° | 60.0° |
| H61 | C6 | C7 | C8 | 76.8° | 60.0° |
| H61 | C6 | C7 | H71 | 158.0° | 180.0° |
| H61 | C6 | C7 | H72 | 48.5° | 60.0° |
| H62 | C6 | C7 | C8 | 32.7° | 60.0° |
| H62 | C6 | C7 | H71 | 92.6° | 60.0° |
| H62 | C6 | C7 | H72 | 157.9° | 180.0° |
| C8 | C7 | H71 | H72 | 116.8° | 119.9° |
| C7 | C8 | C9 | H81 | 125.3° | 120.1° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 117.5° | 119.9° |
| C7 | C8 | C9 | C10 | 137.0° | 180.0° |
| C7 | C8 | C9 | H91 | 11.8° | 60.0° |
| C7 | C8 | C9 | H92 | 97.7° | 60.0° |
| H71 | C7 | C8 | C9 | 42.7° | 59.9° |
| H71 | C7 | C8 | H81 | 167.9° | 180.0° |
| H71 | C7 | C8 | H82 | 82.6° | 60.1° |
| H72 | C7 | C8 | C9 | 66.7° | 60.0° |
| H72 | C7 | C8 | H81 | 58.5° | 60.1° |
| H72 | C7 | C8 | H82 | 168.0° | 180.0° |
| C9 | C8 | H81 | H82 | 117.4° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 119.9° |
| C8 | C9 | H91 | H92 | 116.2° | 120.0° |
| C8 | C9 | C10 | C11 | 147.7° | 179.9° |
| C8 | C9 | C10 | H101 | 87.1° | 60.0° |
| C8 | C9 | C10 | H102 | 22.4° | 60.1° |
| H81 | C8 | C9 | C10 | 97.7° | 59.9° |
| H81 | C8 | C9 | H91 | 137.1° | 180.0° |
| H81 | C8 | C9 | H92 | 27.6° | 60.0° |
| H82 | C8 | C9 | C10 | 11.8° | 60.0° |
| H82 | C8 | C9 | H91 | 113.5° | 60.0° |
| H82 | C8 | C9 | H92 | 137.0° | 180.0° |
| C10 | C9 | H91 | H92 | 116.1° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.5° | 120.1° |
| C9 | C10 | C11 | C12 | 107.1° | 180.0° |
| C9 | C10 | C11 | H111 | 18.2° | 60.0° |
| C9 | C10 | C11 | H112 | 127.7° | 60.0° |
| H91 | C9 | C10 | C11 | 22.3° | 60.0° |
| H91 | C9 | C10 | H101 | 147.6° | 180.0° |
| H91 | C9 | C10 | H102 | 102.9° | 60.0° |
| H92 | C9 | C10 | C11 | 87.1° | 60.0° |
| H92 | C9 | C10 | H101 | 38.2° | 59.9° |
| H92 | C9 | C10 | H102 | 147.6° | NaN° |
| C11 | C10 | H101 | H102 | 116.4° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 116.5° | 120.1° |
| C10 | C11 | C12 | C13 | 110.0° | 179.9° |
| C10 | C11 | C12 | H121 | 15.2° | 60.0° |
| C10 | C11 | C12 | H122 | 124.8° | 59.9° |
| H101 | C10 | C11 | C12 | 127.7° | 60.0° |
| H101 | C10 | C11 | H111 | 107.0° | 180.0° |
| H101 | C10 | C11 | H112 | 2.4° | 60.0° |
| H102 | C10 | C11 | C12 | 18.3° | 60.0° |
| H102 | C10 | C11 | H111 | 143.6° | 60.0° |
| H102 | C10 | C11 | H112 | 107.0° | 180.0° |
| C12 | C11 | H111 | H112 | 116.4° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 116.6° | 120.0° |
| C11 | C12 | C13 | C14 | 102.0° | 180.0° |
| C11 | C12 | C13 | H131 | 132.7° | 60.0° |
| C11 | C12 | C13 | H132 | 23.2° | 60.0° |
| H111 | C11 | C12 | C13 | 124.7° | 60.0° |
| H111 | C11 | C12 | H121 | 110.1° | 180.0° |
| H111 | C11 | C12 | H122 | 0.6° | 60.0° |
| H112 | C11 | C12 | C13 | 15.3° | 60.0° |
| H112 | C11 | C12 | H121 | 140.5° | 60.0° |
| H112 | C11 | C12 | H122 | 110.0° | 180.0° |
| C13 | C12 | H121 | H122 | 116.5° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 116.5° | 120.0° |
| C12 | C13 | C14 | C15 | 143.2° | 179.9° |
| C12 | C13 | C14 | H141 | 18.0° | 60.0° |
| C12 | C13 | C14 | H142 | 91.5° | 60.0° |
| H121 | C12 | C13 | C14 | 23.2° | 60.0° |
| H121 | C12 | C13 | H131 | 102.1° | 180.0° |
| H121 | C12 | C13 | H132 | 148.5° | 60.0° |
| H122 | C12 | C13 | C14 | 132.7° | 60.0° |
| H122 | C12 | C13 | H131 | 7.4° | 60.0° |
| H122 | C12 | C13 | H132 | 102.0° | 180.0° |
| C14 | C13 | H131 | H132 | 116.5° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 120.0° |
| C13 | C14 | C15 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H142 | 116.5° | 120.0° |
| C13 | C14 | C15 | C16 | 157.4° | 180.0° |
| C13 | C14 | C15 | H151 | 32.0° | 60.0° |
| C13 | C14 | C15 | H152 | 77.4° | 60.0° |
| H131 | C13 | C14 | C15 | 91.4° | 60.0° |
| H131 | C13 | C14 | H141 | 143.3° | 180.0° |
| H131 | C13 | C14 | H142 | 33.8° | 60.0° |
| H132 | C13 | C14 | C15 | 18.0° | 60.0° |
| H132 | C13 | C14 | H141 | 107.2° | 60.0° |
| H132 | C13 | C14 | H142 | 143.2° | 180.0° |
| C15 | C14 | H141 | H142 | 116.4° | 120.1° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 117.5° | 120.1° |
| C14 | C15 | C16 | C17 | 132.6° | 179.9° |
| C14 | C15 | C16 | H161 | 7.4° | 60.1° |
| C14 | C15 | C16 | H162 | 102.1° | 60.0° |
| H141 | C14 | C15 | C16 | 77.4° | 60.0° |
| H141 | C14 | C15 | H151 | 157.3° | 180.0° |
| H141 | C14 | C15 | H152 | 47.9° | 60.0° |
| H142 | C14 | C15 | C16 | 32.1° | 60.0° |
| H142 | C14 | C15 | H151 | 93.2° | 60.0° |
| H142 | C14 | C15 | H152 | 157.4° | 180.0° |
| C16 | C15 | H151 | H152 | 117.5° | 120.0° |
| C15 | C16 | C17 | H161 | 125.2° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 116.2° | 120.1° |
| C15 | C16 | C17 | C18 | 67.2° | NaN° |
| C15 | C16 | C17 | H171 | 167.5° | 60.0° |
| C15 | C16 | C17 | H172 | 58.1° | 60.0° |
| H151 | C15 | C16 | C17 | 102.1° | 60.0° |
| H151 | C15 | C16 | H161 | 132.7° | 180.0° |
| H151 | C15 | C16 | H162 | 23.2° | 60.0° |
| H152 | C15 | C16 | C17 | 7.4° | 60.0° |
| H152 | C15 | C16 | H161 | 117.9° | 60.0° |
| H152 | C15 | C16 | H162 | 132.7° | 180.0° |
| C17 | C16 | H161 | H162 | 116.3° | 119.9° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | C18 | H172 | 125.2° | 120.0° |
| C16 | C17 | H171 | H172 | 116.9° | 119.9° |
| C16 | C17 | C18 | C19 | 127.5° | 179.9° |
| C16 | C17 | C18 | H181 | 107.2° | 60.0° |
| C16 | C17 | C18 | H182 | 2.2° | 60.0° |
| H161 | C16 | C17 | C18 | 58.0° | 60.0° |
| H161 | C16 | C17 | H171 | 67.3° | 180.0° |
| H161 | C16 | C17 | H172 | 176.7° | 60.1° |
| H162 | C16 | C17 | C18 | 167.6° | 60.0° |
| H162 | C16 | C17 | H171 | 42.3° | 60.1° |
| H162 | C16 | C17 | H172 | 67.2° | 180.0° |
| C18 | C17 | H171 | H172 | 116.9° | 120.1° |
| C17 | C18 | C19 | H181 | 125.2° | 120.0° |
| C17 | C18 | C19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 116.6° | 120.0° |
| C17 | C18 | C19 | C20 | 148.7° | 180.0° |
| C17 | C18 | C19 | H191 | 86.1° | 60.0° |
| C17 | C18 | C19 | H192 | 23.5° | 60.0° |
| H171 | C17 | C18 | C19 | 2.2° | 60.1° |
| H171 | C17 | C18 | H181 | 127.5° | 180.0° |
| H171 | C17 | C18 | H182 | 123.1° | 60.0° |
| H172 | C17 | C18 | C19 | 107.2° | 60.0° |
| H172 | C17 | C18 | H181 | 18.0° | 60.0° |
| H172 | C17 | C18 | H182 | 127.5° | 180.0° |
| C19 | C18 | H181 | H182 | 116.7° | 120.1° |
| C18 | C19 | C20 | H191 | 125.2° | 120.0° |
| C18 | C19 | C20 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H192 | 116.6° | 120.1° |
| C18 | C19 | C20 | C21 | 69.1° | 179.9° |
| C18 | C19 | C20 | H201 | 165.7° | 60.0° |
| C18 | C19 | C20 | H202 | 56.2° | 60.0° |
| H181 | C18 | C19 | C20 | 23.5° | 60.0° |
| H181 | C18 | C19 | H191 | 148.7° | 180.0° |
| H181 | C18 | C19 | H192 | 101.8° | 60.0° |
| H182 | C18 | C19 | C20 | 86.1° | 60.0° |
| H182 | C18 | C19 | H191 | 39.2° | 60.0° |
| H182 | C18 | C19 | H192 | 148.7° | 180.0° |
| C20 | C19 | H191 | H192 | 116.7° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H202 | 116.6° | 120.0° |
| C19 | C20 | C21 | C22 | 147.5° | 180.0° |
| C19 | C20 | C21 | H211 | 22.2° | 60.0° |
| C19 | C20 | C21 | H212 | 87.3° | 60.0° |
| H191 | C19 | C20 | C21 | 56.2° | 60.0° |
| H191 | C19 | C20 | H201 | 69.1° | 180.0° |
| H191 | C19 | C20 | H202 | 178.6° | 60.0° |
| H192 | C19 | C20 | C21 | 165.7° | 60.0° |
| H192 | C19 | C20 | H201 | 40.5° | 60.0° |
| H192 | C19 | C20 | H202 | 69.0° | 180.0° |
| C21 | C20 | H201 | H202 | 116.5° | 120.0° |
| C20 | C21 | C22 | H211 | 125.2° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 117.2° | 120.0° |
| C20 | C21 | C22 | C23 | 173.6° | 179.9° |
| C20 | C21 | C22 | H221 | 61.1° | 60.0° |
| C20 | C21 | C22 | H222 | 48.3° | 60.0° |
| H201 | C20 | C21 | C22 | 87.2° | 60.0° |
| H201 | C20 | C21 | H211 | 147.6° | 180.0° |
| H201 | C20 | C21 | H212 | 38.1° | 60.0° |
| H202 | C20 | C21 | C22 | 22.2° | 60.0° |
| H202 | C20 | C21 | H211 | 103.0° | 60.0° |
| H202 | C20 | C21 | H212 | 147.5° | 180.0° |
| C22 | C21 | H211 | H212 | 117.3° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 117.1° | 120.0° |
| C21 | C22 | C23 | C24 | 104.4° | 180.0° |
| C21 | C22 | C23 | H231 | 20.9° | 60.0° |
| C21 | C22 | C23 | H232 | 130.4° | 60.0° |
| H211 | C21 | C22 | C23 | 48.4° | 60.0° |
| H211 | C21 | C22 | H221 | 173.7° | 180.0° |
| H211 | C21 | C22 | H222 | 76.9° | 60.0° |
| H212 | C21 | C22 | C23 | 61.2° | 59.9° |
| H212 | C21 | C22 | H221 | 64.2° | 60.0° |
| H212 | C21 | C22 | H222 | 173.6° | 180.0° |
| C23 | C22 | H221 | H222 | 117.1° | 120.1° |
| C22 | C23 | C24 | H231 | 125.3° | 119.9° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 116.8° | 120.0° |
| C22 | C23 | C24 | C25 | 154.1° | 179.9° |
| C22 | C23 | C24 | H241 | 80.6° | 60.0° |
| C22 | C23 | C24 | H242 | 28.9° | 60.0° |
| H221 | C22 | C23 | C24 | 130.3° | 60.0° |
| H221 | C22 | C23 | H231 | 104.4° | 180.0° |
| H221 | C22 | C23 | H232 | 5.1° | 60.0° |
| H222 | C22 | C23 | C24 | 20.9° | 60.0° |
| H222 | C22 | C23 | H231 | 146.2° | 60.0° |
| H222 | C22 | C23 | H232 | 104.3° | 180.0° |
| C24 | C23 | H231 | H232 | 116.8° | 120.1° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 118.1° | 120.0° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C23 | C24 | C25 | H252 | 54.8° | 60.0° |
| C23 | C24 | C25 | H253 | 54.8° | 59.9° |
| H231 | C23 | C24 | C25 | 28.9° | 60.0° |
| H231 | C23 | C24 | H241 | 154.1° | 180.0° |
| H231 | C23 | C24 | H242 | 96.4° | 59.9° |
| H232 | C23 | C24 | C25 | 80.6° | 60.1° |
| H232 | C23 | C24 | H241 | 44.6° | 60.0° |
| H232 | C23 | C24 | H242 | 154.1° | 180.0° |
| C25 | C24 | H241 | H242 | 118.1° | 120.0° |
| C24 | C25 | H251 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H253 | 125.2° | 120.1° |
| C24 | C25 | H252 | H253 | 118.1° | 120.0° |
| H241 | C24 | C25 | H251 | 54.7° | 60.0° |
| H241 | C24 | C25 | H252 | 180.0° | 60.0° |
| H241 | C24 | C25 | H253 | 70.5° | 180.0° |
| H242 | C24 | C25 | H251 | 54.7° | 60.0° |
| H242 | C24 | C25 | H252 | 70.5° | 180.0° |
| H242 | C24 | C25 | H253 | 180.0° | 60.0° |
| H251 | C25 | H252 | H253 | 118.2° | 120.0° |
