R16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.56Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | H271 | 114.2° | 109.5° |
| C28 | C27 | H272 | 110.4° | 109.5° |
| C28 | C27 | H273 | 110.5° | 109.5° |
| C27 | C28 | C29 | 114.2° | 109.5° |
| C27 | C28 | H281 | 110.4° | 109.5° |
| C27 | C28 | H282 | 110.5° | 109.5° |
| H271 | C27 | H272 | 110.4° | 109.5° |
| H271 | C27 | H273 | 110.5° | 109.5° |
| H272 | C27 | H273 | 99.8° | 109.5° |
| C29 | C28 | H281 | 110.5° | 109.5° |
| C29 | C28 | H282 | 110.5° | 109.5° |
| C28 | C29 | C30 | 112.1° | 109.5° |
| C28 | C29 | H291 | 111.2° | 109.5° |
| C28 | C29 | H292 | 111.2° | 109.5° |
| H281 | C28 | H282 | 99.8° | 109.4° |
| C30 | C29 | H291 | 111.3° | 109.5° |
| C30 | C29 | H292 | 111.2° | 109.5° |
| C29 | C30 | C31 | 113.5° | 109.5° |
| C29 | C30 | H301 | 110.7° | 109.5° |
| C29 | C30 | H302 | 110.7° | 109.5° |
| H291 | C29 | H292 | 99.1° | 109.5° |
| C31 | C30 | H301 | 110.7° | 109.5° |
| C31 | C30 | H302 | 110.7° | 109.5° |
| C30 | C31 | C32 | 115.5° | 109.5° |
| C30 | C31 | H311 | 110.0° | 109.5° |
| C30 | C31 | H312 | 110.0° | 109.5° |
| H301 | C30 | H302 | 99.6° | 109.5° |
| C32 | C31 | H311 | 110.1° | 109.5° |
| C32 | C31 | H312 | 110.0° | 109.5° |
| C31 | C32 | C33 | 115.0° | 109.5° |
| C31 | C32 | H321 | 110.1° | 109.5° |
| C31 | C32 | H322 | 110.1° | 109.5° |
| H311 | C31 | H312 | 100.2° | 109.5° |
| C33 | C32 | H321 | 110.2° | 109.5° |
| C33 | C32 | H322 | 110.2° | 109.5° |
| C32 | C33 | C34 | 113.4° | 109.5° |
| C32 | C33 | H331 | 110.8° | 109.5° |
| C32 | C33 | H332 | 110.8° | 109.5° |
| H321 | C32 | H322 | 100.1° | 109.5° |
| C34 | C33 | H331 | 110.8° | 109.5° |
| C34 | C33 | H332 | 110.8° | 109.4° |
| C33 | C34 | C35 | 114.3° | 109.5° |
| C33 | C34 | H341 | 110.4° | 109.5° |
| C33 | C34 | H342 | 110.4° | 109.4° |
| H331 | C33 | H332 | 99.5° | 109.5° |
| C35 | C34 | H341 | 110.5° | 109.6° |
| C35 | C34 | H342 | 110.5° | 109.5° |
| C34 | C35 | C36 | 114.7° | 109.5° |
| C34 | C35 | H351 | 110.3° | 109.6° |
| C34 | C35 | H352 | 110.3° | 109.5° |
| H341 | C34 | H342 | 99.8° | 109.4° |
| C36 | C35 | H351 | 110.3° | 109.5° |
| C36 | C35 | H352 | 110.3° | 109.4° |
| C35 | C36 | C37 | 111.5° | 109.5° |
| C35 | C36 | H361 | 111.5° | 109.5° |
| C35 | C36 | H362 | 111.5° | 109.4° |
| H351 | C35 | H352 | 100.0° | 109.4° |
| C37 | C36 | H361 | 111.5° | 109.5° |
| C37 | C36 | H362 | 111.5° | 109.5° |
| C36 | C37 | C38 | 113.7° | 109.5° |
| C36 | C37 | H371 | 110.6° | 109.5° |
| C36 | C37 | H372 | 110.6° | 109.5° |
| H361 | C36 | H362 | 98.9° | 109.5° |
| C38 | C37 | H371 | 110.6° | 109.5° |
| C38 | C37 | H372 | 110.7° | 109.5° |
| C37 | C38 | C39 | 112.4° | 109.5° |
| C37 | C38 | H381 | 111.2° | 109.5° |
| C37 | C38 | H382 | 111.1° | 109.5° |
| H371 | C37 | H372 | 99.7° | 109.5° |
| C39 | C38 | H381 | 111.1° | 109.5° |
| C39 | C38 | H382 | 111.1° | 109.5° |
| C38 | C39 | C40 | 111.7° | 109.5° |
| C38 | C39 | H391 | 111.4° | 109.5° |
| C38 | C39 | H392 | 111.4° | 109.5° |
| H381 | C38 | H382 | 99.2° | 109.5° |
| C40 | C39 | H391 | 111.3° | 109.5° |
| C40 | C39 | H392 | 111.4° | 109.5° |
| C39 | C40 | C41 | 112.5° | 109.5° |
| C39 | C40 | H401 | 111.2° | 109.5° |
| C39 | C40 | H402 | 111.2° | 109.5° |
| H391 | C39 | H392 | 99.0° | 109.5° |
| C41 | C40 | H401 | 111.1° | 109.5° |
| C41 | C40 | H402 | 111.1° | 109.5° |
| C40 | C41 | C42 | 110.4° | 109.5° |
| C40 | C41 | H411 | 111.9° | 109.5° |
| C40 | C41 | H412 | 111.9° | 109.5° |
| H401 | C40 | H402 | 99.2° | 109.5° |
| C42 | C41 | H411 | 111.8° | 109.5° |
| C42 | C41 | H412 | 111.8° | 109.5° |
| C41 | C42 | H421 | 110.5° | 109.5° |
| C41 | C42 | H422 | 111.9° | 109.5° |
| C41 | C42 | H423 | 111.9° | 109.5° |
| H411 | C41 | H412 | 98.6° | 109.4° |
| H421 | C42 | H422 | 111.8° | 109.5° |
| H421 | C42 | H423 | 111.8° | 109.5° |
| H422 | C42 | H423 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | H271 | H272 | 125.2° | 120.0° |
| C28 | C27 | H271 | H273 | 125.3° | 120.0° |
| C28 | C27 | H272 | H273 | 116.3° | 120.0° |
| C27 | C28 | C29 | H281 | 125.2° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 116.3° | 120.0° |
| C27 | C28 | C29 | C30 | 87.6° | 180.0° |
| C27 | C28 | C29 | H291 | 37.7° | 60.0° |
| C27 | C28 | C29 | H292 | 147.2° | 60.0° |
| H271 | C27 | H272 | H273 | 116.3° | 120.0° |
| H271 | C27 | C28 | C29 | 180.0° | 60.0° |
| H271 | C27 | C28 | H281 | 54.7° | 60.1° |
| H271 | C27 | C28 | H282 | 54.7° | 180.0° |
| H272 | C27 | C28 | C29 | 54.8° | 60.0° |
| H272 | C27 | C28 | H281 | 70.5° | 180.0° |
| H272 | C27 | C28 | H282 | 180.0° | 60.0° |
| H273 | C27 | C28 | C29 | 54.7° | 180.0° |
| H273 | C27 | C28 | H281 | 180.0° | 60.0° |
| H273 | C27 | C28 | H282 | 70.5° | 60.0° |
| C29 | C28 | H281 | H282 | 116.3° | 120.0° |
| C28 | C29 | C30 | H291 | 125.2° | 120.0° |
| C28 | C29 | C30 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 117.1° | 120.0° |
| C28 | C29 | C30 | C31 | 87.5° | 180.0° |
| C28 | C29 | C30 | H301 | 37.8° | 60.0° |
| C28 | C29 | C30 | H302 | 147.3° | 60.0° |
| H281 | C28 | C29 | C30 | 147.2° | 60.0° |
| H281 | C28 | C29 | H291 | 87.5° | 180.0° |
| H281 | C28 | C29 | H292 | 21.9° | 60.0° |
| H282 | C28 | C29 | C30 | 37.7° | 60.0° |
| H282 | C28 | C29 | H291 | 163.0° | 60.0° |
| H282 | C28 | C29 | H292 | 87.5° | 180.0° |
| C30 | C29 | H291 | H292 | 117.2° | 120.0° |
| C29 | C30 | C31 | H301 | 125.2° | 120.0° |
| C29 | C30 | C31 | H302 | 125.2° | 120.0° |
| C29 | C30 | H301 | H302 | 116.6° | 120.0° |
| C29 | C30 | C31 | C32 | 175.2° | 180.0° |
| C29 | C30 | C31 | H311 | 59.5° | 60.0° |
| C29 | C30 | C31 | H312 | 49.9° | 60.0° |
| H291 | C29 | C30 | C31 | 147.3° | 60.0° |
| H291 | C29 | C30 | H301 | 87.5° | 180.0° |
| H291 | C29 | C30 | H302 | 22.1° | 60.0° |
| H292 | C29 | C30 | C31 | 37.8° | 60.0° |
| H292 | C29 | C30 | H301 | 163.0° | 60.0° |
| H292 | C29 | C30 | H302 | 87.4° | 180.0° |
| C31 | C30 | H301 | H302 | 116.6° | 120.0° |
| C30 | C31 | C32 | H311 | 125.3° | 120.0° |
| C30 | C31 | C32 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H312 | 115.8° | 120.0° |
| C30 | C31 | C32 | C33 | 96.9° | NaN° |
| C30 | C31 | C32 | H321 | 28.4° | 60.0° |
| C30 | C31 | C32 | H322 | 137.9° | 60.0° |
| H301 | C30 | C31 | C32 | 49.9° | 60.0° |
| H301 | C30 | C31 | H311 | 175.3° | 180.0° |
| H301 | C30 | C31 | H312 | 75.3° | 60.0° |
| H302 | C30 | C31 | C32 | 59.6° | 60.0° |
| H302 | C30 | C31 | H311 | 65.7° | 60.0° |
| H302 | C30 | C31 | H312 | 175.1° | 180.0° |
| C32 | C31 | H311 | H312 | 115.9° | 120.0° |
| C31 | C32 | C33 | H321 | 125.2° | 120.0° |
| C31 | C32 | C33 | H322 | 125.2° | 120.0° |
| C31 | C32 | H321 | H322 | 116.0° | 120.0° |
| C31 | C32 | C33 | C34 | 152.2° | 180.0° |
| C31 | C32 | C33 | H331 | 26.9° | 60.0° |
| C31 | C32 | C33 | H332 | 82.5° | 60.0° |
| H311 | C31 | C32 | C33 | 137.8° | 60.0° |
| H311 | C31 | C32 | H321 | 96.9° | NaN° |
| H311 | C31 | C32 | H322 | 12.6° | 60.0° |
| H312 | C31 | C32 | C33 | 28.3° | 60.0° |
| H312 | C31 | C32 | H321 | 153.6° | 60.0° |
| H312 | C31 | C32 | H322 | 96.9° | 180.0° |
| C33 | C32 | H321 | H322 | 116.1° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 120.0° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 116.6° | 120.0° |
| C32 | C33 | C34 | C35 | 112.9° | 180.0° |
| C32 | C33 | C34 | H341 | 12.4° | 59.9° |
| C32 | C33 | C34 | H342 | 121.8° | 60.0° |
| H321 | C32 | C33 | C34 | 82.5° | 60.0° |
| H321 | C32 | C33 | H331 | 152.2° | 180.0° |
| H321 | C32 | C33 | H332 | 42.8° | 60.0° |
| H322 | C32 | C33 | C34 | 27.0° | 60.0° |
| H322 | C32 | C33 | H331 | 98.3° | 60.0° |
| H322 | C32 | C33 | H332 | 152.3° | 180.0° |
| C34 | C33 | H331 | H332 | 116.7° | 120.0° |
| C33 | C34 | C35 | H341 | 125.2° | 120.1° |
| C33 | C34 | C35 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 116.3° | 119.9° |
| C33 | C34 | C35 | C36 | 74.0° | 180.0° |
| C33 | C34 | C35 | H351 | 51.2° | 59.9° |
| C33 | C34 | C35 | H352 | 160.7° | 60.0° |
| H331 | C33 | C34 | C35 | 121.9° | 59.9° |
| H331 | C33 | C34 | H341 | 112.9° | 179.9° |
| H331 | C33 | C34 | H342 | 3.4° | 60.1° |
| H332 | C33 | C34 | C35 | 12.4° | 60.0° |
| H332 | C33 | C34 | H341 | 137.7° | 60.1° |
| H332 | C33 | C34 | H342 | 112.9° | 180.0° |
| C35 | C34 | H341 | H342 | 116.4° | 120.0° |
| C34 | C35 | C36 | H351 | 125.2° | 120.1° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 116.1° | 120.0° |
| C34 | C35 | C36 | C37 | 160.7° | 180.0° |
| C34 | C35 | C36 | H361 | 74.0° | 59.9° |
| C34 | C35 | C36 | H362 | 35.4° | 60.0° |
| H341 | C34 | C35 | C36 | 160.7° | 59.9° |
| H341 | C34 | C35 | H351 | 74.0° | NaN° |
| H341 | C34 | C35 | H352 | 35.4° | 60.0° |
| H342 | C34 | C35 | C36 | 51.2° | 60.0° |
| H342 | C34 | C35 | H351 | 176.5° | 60.0° |
| H342 | C34 | C35 | H352 | 74.1° | 180.0° |
| C36 | C35 | H351 | H352 | 116.2° | 119.9° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H362 | 117.3° | 120.0° |
| C35 | C36 | C37 | C38 | 158.1° | 180.0° |
| C35 | C36 | C37 | H371 | 32.9° | 60.0° |
| C35 | C36 | C37 | H372 | 76.6° | 60.0° |
| H351 | C35 | C36 | C37 | 35.5° | 59.9° |
| H351 | C35 | C36 | H361 | 160.8° | 179.9° |
| H351 | C35 | C36 | H362 | 89.8° | 60.1° |
| H352 | C35 | C36 | C37 | 74.0° | 60.0° |
| H352 | C35 | C36 | H361 | 51.3° | 60.1° |
| H352 | C35 | C36 | H362 | 160.7° | 180.0° |
| C37 | C36 | H361 | H362 | 117.4° | 120.0° |
| C36 | C37 | C38 | H371 | 125.2° | 120.0° |
| C36 | C37 | C38 | H372 | 125.2° | 120.0° |
| C36 | C37 | H371 | H372 | 116.5° | 120.0° |
| C36 | C37 | C38 | C39 | 109.7° | NaN° |
| C36 | C37 | C38 | H381 | 125.0° | 60.0° |
| C36 | C37 | C38 | H382 | 15.5° | 60.0° |
| H361 | C36 | C37 | C38 | 76.6° | 60.0° |
| H361 | C36 | C37 | H371 | 158.2° | 180.0° |
| H361 | C36 | C37 | H372 | 48.7° | 60.0° |
| H362 | C36 | C37 | C38 | 32.9° | 60.0° |
| H362 | C36 | C37 | H371 | 92.4° | 60.0° |
| H362 | C36 | C37 | H372 | 158.1° | 180.0° |
| C38 | C37 | H371 | H372 | 116.6° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.2° | 120.0° |
| C37 | C38 | H381 | H382 | 117.0° | 120.0° |
| C37 | C38 | C39 | C40 | 133.6° | 180.0° |
| C37 | C38 | C39 | H391 | 8.4° | 60.0° |
| C37 | C38 | C39 | H392 | 101.2° | 60.0° |
| H371 | C37 | C38 | C39 | 15.5° | 60.0° |
| H371 | C37 | C38 | H381 | 109.8° | 180.0° |
| H371 | C37 | C38 | H382 | 140.7° | 60.0° |
| H372 | C37 | C38 | C39 | 125.0° | 60.0° |
| H372 | C37 | C38 | H381 | 0.2° | 60.0° |
| H372 | C37 | C38 | H382 | 109.8° | 180.0° |
| C39 | C38 | H381 | H382 | 117.0° | 120.0° |
| C38 | C39 | C40 | H391 | 125.2° | 120.0° |
| C38 | C39 | C40 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H392 | 117.3° | 120.0° |
| C38 | C39 | C40 | C41 | 107.2° | 180.0° |
| C38 | C39 | C40 | H401 | 127.5° | 60.0° |
| C38 | C39 | C40 | H402 | 18.0° | 60.0° |
| H381 | C38 | C39 | C40 | 101.1° | 60.0° |
| H381 | C38 | C39 | H391 | 133.7° | 180.0° |
| H381 | C38 | C39 | H392 | 24.1° | 60.0° |
| H382 | C38 | C39 | C40 | 8.4° | 60.0° |
| H382 | C38 | C39 | H391 | 116.8° | 60.0° |
| H382 | C38 | C39 | H392 | 133.6° | 180.0° |
| C40 | C39 | H391 | H392 | 117.2° | 120.0° |
| C39 | C40 | C41 | H401 | 125.3° | 120.0° |
| C39 | C40 | C41 | H402 | 125.3° | 120.0° |
| C39 | C40 | H401 | H402 | 117.1° | 120.0° |
| C39 | C40 | C41 | C42 | 178.4° | 180.0° |
| C39 | C40 | C41 | H411 | 56.4° | 60.0° |
| C39 | C40 | C41 | H412 | 53.2° | 60.0° |
| H391 | C39 | C40 | C41 | 18.0° | 60.0° |
| H391 | C39 | C40 | H401 | 107.2° | 180.0° |
| H391 | C39 | C40 | H402 | 143.3° | 60.0° |
| H392 | C39 | C40 | C41 | 127.5° | 60.0° |
| H392 | C39 | C40 | H401 | 2.2° | 60.0° |
| H392 | C39 | C40 | H402 | 107.3° | 180.0° |
| C41 | C40 | H401 | H402 | 116.9° | 120.0° |
| C40 | C41 | C42 | H411 | 125.3° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 117.8° | 120.0° |
| C40 | C41 | C42 | H421 | 180.0° | 60.0° |
| C40 | C41 | C42 | H422 | 54.7° | 60.0° |
| C40 | C41 | C42 | H423 | 54.8° | 180.0° |
| H401 | C40 | C41 | C42 | 53.1° | 60.0° |
| H401 | C40 | C41 | H411 | 178.3° | 180.0° |
| H401 | C40 | C41 | H412 | 72.1° | 60.0° |
| H402 | C40 | C41 | C42 | 56.3° | 60.0° |
| H402 | C40 | C41 | H411 | 68.9° | 60.0° |
| H402 | C40 | C41 | H412 | 178.5° | 180.0° |
| C42 | C41 | H411 | H412 | 117.7° | 120.0° |
| C41 | C42 | H421 | H422 | 125.3° | 120.0° |
| C41 | C42 | H421 | H423 | 125.3° | 120.0° |
| C41 | C42 | H422 | H423 | 117.8° | 120.0° |
| H411 | C41 | C42 | H421 | 54.7° | 180.0° |
| H411 | C41 | C42 | H422 | 180.0° | 60.1° |
| H411 | C41 | C42 | H423 | 70.5° | 60.0° |
| H412 | C41 | C42 | H421 | 54.7° | 60.0° |
| H412 | C41 | C42 | H422 | 70.5° | NaN° |
| H412 | C41 | C42 | H423 | 179.9° | 60.0° |
| H421 | C42 | H422 | H423 | 117.7° | 120.0° |
