A1L77
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C32 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.38Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.88Å | |
| O07 | C24 | sing | 1.43Å | 1.37Å | |
| SI08 | C09 | sing | 1.87Å | 1.86Å | |
| SI08 | C10 | sing | 1.86Å | 1.85Å | |
| SI08 | C34 | sing | 1.86Å | 1.84Å | |
| C09 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C09 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C38 | sing | 1.53Å | 1.48Å | |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | C33 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | O16 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| O16 | C17 | sing | 1.43Å | 1.36Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | C21 | sing | 1.53Å | 1.50Å | |
| C18 | O23 | sing | 1.43Å | 1.34Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | O26 | sing | 1.43Å | 1.38Å | |
| C25 | C27 | sing | 1.53Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C29 | O30 | doub | 1.21Å | 1.20Å | |
| C29 | O31 | sing | 1.34Å | 1.23Å | |
| C34 | C35 | sing | 1.53Å | 1.48Å | |
| C35 | C36 | sing | 1.53Å | 1.49Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.50Å | |
| C39 | C40 | sing | 1.53Å | 1.49Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 122.3° | 120.0° |
| C01 | C02 | C03 | 116.0° | 119.8° |
| C01 | C02 | O07 | 121.0° | 120.1° |
| C02 | C01 | H011 | 118.9° | 120.0° |
| C01 | C06 | C05 | 120.2° | 120.1° |
| C06 | C01 | H011 | 118.9° | 120.0° |
| C01 | C06 | H061 | 119.9° | 120.0° |
| C03 | C02 | O07 | 123.0° | 120.1° |
| C02 | C03 | C04 | 122.4° | 120.0° |
| C02 | C03 | C32 | 121.1° | 120.0° |
| C02 | O07 | C24 | 121.4° | 117.0° |
| C04 | C03 | C32 | 116.5° | 120.0° |
| C03 | C04 | C05 | 120.9° | 120.0° |
| C03 | C04 | H041 | 119.5° | 120.0° |
| C03 | C32 | H321 | 109.5° | 109.4° |
| C03 | C32 | H323 | 109.5° | 109.5° |
| C03 | C32 | H322 | 109.5° | 109.4° |
| C04 | C05 | C06 | 118.3° | 120.1° |
| C04 | C05 | SI08 | 117.8° | 119.9° |
| C05 | C04 | H041 | 119.6° | 119.9° |
| C06 | C05 | SI08 | 123.8° | 120.0° |
| C05 | C06 | H061 | 119.9° | 119.9° |
| C05 | SI08 | C09 | 115.2° | 109.5° |
| C05 | SI08 | C10 | 108.8° | 109.5° |
| C05 | SI08 | C34 | 104.8° | 109.5° |
| O07 | C24 | C25 | 111.9° | 109.5° |
| O07 | C24 | H242 | 108.9° | 109.4° |
| O07 | C24 | H241 | 108.9° | 109.5° |
| C09 | SI08 | C10 | 109.7° | 109.4° |
| C09 | SI08 | C34 | 117.2° | 109.4° |
| SI08 | C09 | C11 | 120.8° | 119.9° |
| SI08 | C09 | C15 | 120.2° | 120.0° |
| C10 | SI08 | C34 | 99.9° | 109.5° |
| SI08 | C10 | C38 | 111.6° | 109.5° |
| SI08 | C10 | H102 | 109.0° | 109.5° |
| SI08 | C10 | H101 | 109.0° | 109.4° |
| SI08 | C34 | C35 | 111.0° | 109.5° |
| SI08 | C34 | H341 | 109.1° | 109.4° |
| SI08 | C34 | H342 | 109.1° | 109.5° |
| C11 | C09 | C15 | 118.9° | 120.1° |
| C09 | C11 | C12 | 122.1° | 120.1° |
| C09 | C11 | H111 | 119.0° | 120.0° |
| C09 | C15 | C14 | 119.0° | 120.1° |
| C09 | C15 | H151 | 120.5° | 119.9° |
| C10 | C38 | C39 | 105.6° | 109.5° |
| C38 | C10 | H102 | 108.9° | 109.5° |
| C38 | C10 | H101 | 108.9° | 109.5° |
| C10 | C38 | H382 | 110.5° | 109.5° |
| C10 | C38 | H381 | 110.4° | 109.5° |
| C11 | C12 | C13 | 119.2° | 119.9° |
| C11 | C12 | C33 | 118.4° | 120.1° |
| C12 | C11 | H111 | 118.9° | 119.9° |
| C13 | C12 | C33 | 122.4° | 120.0° |
| C12 | C13 | C14 | 118.1° | 119.9° |
| C12 | C13 | O16 | 121.5° | 120.0° |
| C12 | C33 | H333 | 109.5° | 109.5° |
| C12 | C33 | H331 | 109.4° | 109.5° |
| C12 | C33 | H332 | 109.5° | 109.4° |
| C14 | C13 | O16 | 120.4° | 120.0° |
| C13 | C14 | C15 | 122.6° | 119.9° |
| C13 | C14 | H141 | 118.7° | 120.0° |
| C13 | O16 | C17 | 115.0° | 117.0° |
| C14 | C15 | H151 | 120.5° | 120.0° |
| C15 | C14 | H141 | 118.7° | 120.0° |
| O16 | C17 | C18 | 111.2° | 109.5° |
| O16 | C17 | H172 | 109.1° | 109.5° |
| O16 | C17 | H171 | 109.0° | 109.5° |
| C17 | C18 | C19 | 111.5° | 109.4° |
| C17 | C18 | C21 | 108.5° | 109.5° |
| C17 | C18 | O23 | 113.1° | 109.5° |
| C18 | C17 | H172 | 109.1° | 109.4° |
| C18 | C17 | H171 | 109.0° | 109.4° |
| C19 | C18 | C21 | 107.9° | 109.5° |
| C19 | C18 | O23 | 109.5° | 109.5° |
| C18 | C19 | C20 | 106.9° | 109.5° |
| C18 | C19 | H191 | 110.1° | 109.5° |
| C18 | C19 | H192 | 110.1° | 109.5° |
| C21 | C18 | O23 | 106.0° | 109.5° |
| C18 | C21 | C22 | 107.2° | 109.5° |
| C18 | C21 | H212 | 110.0° | 109.5° |
| C18 | C21 | H211 | 110.0° | 109.5° |
| C18 | O23 | H231 | 109.5° | 114.0° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C20 | C19 | H191 | 110.1° | 109.5° |
| C20 | C19 | H192 | 110.1° | 109.4° |
| C22 | C21 | H212 | 110.0° | 109.4° |
| C22 | C21 | H211 | 110.0° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| C24 | C25 | O26 | 109.8° | 109.5° |
| C24 | C25 | C27 | 113.0° | 109.5° |
| C25 | C24 | H242 | 108.9° | 109.5° |
| C25 | C24 | H241 | 108.9° | 109.5° |
| C24 | C25 | H251 | 108.5° | 109.5° |
| O26 | C25 | C27 | 106.6° | 109.5° |
| O26 | C25 | H251 | 110.3° | 109.5° |
| C25 | O26 | H261 | 109.5° | 114.0° |
| C25 | C27 | C28 | 110.0° | 109.5° |
| C27 | C25 | H251 | 108.6° | 109.4° |
| C25 | C27 | H272 | 109.3° | 109.5° |
| C25 | C27 | H271 | 109.4° | 109.4° |
| C27 | C28 | C29 | 111.3° | 109.5° |
| C27 | C28 | H282 | 109.0° | 109.5° |
| C27 | C28 | H281 | 109.0° | 109.5° |
| C28 | C27 | H272 | 109.4° | 109.5° |
| C28 | C27 | H271 | 109.3° | 109.4° |
| C28 | C29 | O30 | 117.6° | 120.0° |
| C28 | C29 | O31 | 121.3° | 120.0° |
| C29 | C28 | H282 | 109.0° | 109.5° |
| C29 | C28 | H281 | 109.0° | 109.5° |
| O30 | C29 | O31 | 121.1° | 120.0° |
| C29 | O31 | H1 | 109.5° | 117.0° |
| C34 | C35 | C36 | 106.0° | 109.5° |
| C35 | C34 | H341 | 109.1° | 109.5° |
| C35 | C34 | H342 | 109.1° | 109.5° |
| C34 | C35 | H352 | 110.3° | 109.5° |
| C34 | C35 | H351 | 110.3° | 109.5° |
| C35 | C36 | C37 | 102.1° | 109.5° |
| C36 | C35 | H352 | 110.3° | 109.5° |
| C36 | C35 | H351 | 110.3° | 109.4° |
| C35 | C36 | H361 | 111.3° | 109.5° |
| C35 | C36 | H362 | 111.3° | 109.5° |
| C37 | C36 | H361 | 111.3° | 109.5° |
| C37 | C36 | H362 | 111.3° | 109.4° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C36 | C37 | H371 | 109.4° | 109.4° |
| C36 | C37 | H373 | 109.5° | 109.5° |
| C38 | C39 | C40 | 110.1° | 109.5° |
| C39 | C38 | H382 | 110.4° | 109.5° |
| C39 | C38 | H381 | 110.5° | 109.4° |
| C38 | C39 | H391 | 109.3° | 109.5° |
| C38 | C39 | H392 | 109.3° | 109.4° |
| C40 | C39 | H391 | 109.3° | 109.5° |
| C40 | C39 | H392 | 109.3° | 109.4° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.4° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.4° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.4° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.4° | 109.5° |
| H333 | C33 | H331 | 109.5° | 109.5° |
| H333 | C33 | H332 | 109.4° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.4° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.4° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | O07 | 178.4° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | C32 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C01 | C02 | O07 | C24 | 111.6° | 0.0° |
| C02 | C01 | C06 | H061 | 179.6° | 180.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C06 | C01 | C02 | O07 | 178.4° | 180.0° |
| C01 | C06 | C05 | C04 | 0.4° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI08 | 178.5° | 180.0° |
| C02 | C03 | C04 | C32 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | O07 | C24 | 70.2° | 180.0° |
| C03 | C02 | C01 | H011 | 180.0° | 179.7° |
| C02 | C03 | C04 | H041 | 179.7° | 180.0° |
| C02 | C03 | C32 | H321 | 89.8° | 90.0° |
| C02 | C03 | C32 | H323 | 150.2° | 150.0° |
| C02 | C03 | C32 | H322 | 30.2° | 30.0° |
| O07 | C02 | C03 | C04 | 178.0° | 180.0° |
| O07 | C02 | C03 | C32 | 1.6° | 0.0° |
| C02 | O07 | C24 | C25 | 128.1° | 180.0° |
| C02 | O07 | C24 | H242 | 111.6° | 60.0° |
| C02 | O07 | C24 | H241 | 7.7° | 60.0° |
| O07 | C02 | C01 | H011 | 1.6° | 0.3° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | SI08 | 178.3° | 180.0° |
| C04 | C03 | C32 | H321 | 89.9° | 90.1° |
| C04 | C03 | C32 | H323 | 30.2° | 30.0° |
| C04 | C03 | C32 | H322 | 150.1° | 150.0° |
| C32 | C03 | C04 | C05 | 179.9° | 180.0° |
| C32 | C03 | C04 | H041 | 0.1° | 0.0° |
| C03 | C32 | H321 | H323 | 120.0° | 120.0° |
| C03 | C32 | H321 | H322 | 120.0° | 119.9° |
| C03 | C32 | H323 | H322 | 120.0° | 119.9° |
| C04 | C05 | C06 | SI08 | 178.0° | 180.0° |
| C04 | C05 | SI08 | C09 | 137.3° | 102.9° |
| C04 | C05 | SI08 | C10 | 99.1° | 137.2° |
| C04 | C05 | SI08 | C34 | 7.1° | 17.1° |
| C04 | C05 | C06 | H061 | 179.6° | 180.0° |
| C06 | C05 | SI08 | C09 | 44.7° | 77.2° |
| C06 | C05 | SI08 | C10 | 78.9° | 42.8° |
| C06 | C05 | SI08 | C34 | 174.9° | 162.8° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C05 | SI08 | C09 | C10 | 123.2° | 120.0° |
| C05 | SI08 | C09 | C34 | 123.9° | 120.0° |
| C05 | SI08 | C10 | C34 | 109.5° | 120.1° |
| C05 | SI08 | C09 | C11 | 170.1° | 76.5° |
| C05 | SI08 | C09 | C15 | 9.5° | 104.3° |
| C05 | SI08 | C10 | C38 | 81.9° | 47.8° |
| C05 | SI08 | C34 | C35 | 120.5° | 73.5° |
| C05 | SI08 | C10 | H102 | 38.4° | 167.8° |
| C05 | SI08 | C10 | H101 | 157.8° | 72.2° |
| SI08 | C05 | C04 | H041 | 1.7° | 0.0° |
| SI08 | C05 | C06 | H061 | 1.5° | 0.0° |
| C05 | SI08 | C34 | H341 | 119.3° | 46.5° |
| C05 | SI08 | C34 | H342 | 0.2° | 166.4° |
| O07 | C24 | C25 | H242 | 120.3° | 120.0° |
| O07 | C24 | C25 | H241 | 120.4° | 120.0° |
| O07 | C24 | C25 | O26 | 50.4° | 65.0° |
| O07 | C24 | C25 | C27 | 68.5° | 175.0° |
| O07 | C24 | H242 | H241 | 118.9° | 120.0° |
| O07 | C24 | C25 | H251 | 171.0° | 55.0° |
| C09 | SI08 | C10 | C34 | 123.7° | 119.9° |
| SI08 | C09 | C11 | C15 | 179.7° | 179.2° |
| C09 | SI08 | C10 | C38 | 45.0° | 72.2° |
| SI08 | C09 | C11 | C12 | 179.0° | 180.0° |
| SI08 | C09 | C15 | C14 | 179.0° | 179.7° |
| C09 | SI08 | C34 | C35 | 8.6° | 46.5° |
| C09 | SI08 | C10 | H102 | 165.2° | 47.8° |
| C09 | SI08 | C10 | H101 | 75.4° | 167.8° |
| SI08 | C09 | C15 | H151 | 1.0° | 0.3° |
| SI08 | C09 | C11 | H111 | 1.0° | 0.8° |
| C09 | SI08 | C34 | H341 | 111.7° | 166.5° |
| C09 | SI08 | C34 | H342 | 128.8° | 73.5° |
| C10 | SI08 | C09 | C11 | 47.0° | 163.6° |
| C10 | SI08 | C09 | C15 | 132.7° | 15.6° |
| SI08 | C10 | C38 | H102 | 120.3° | 120.1° |
| SI08 | C10 | C38 | H101 | 120.3° | 119.9° |
| C10 | SI08 | C34 | C35 | 126.9° | 166.5° |
| SI08 | C10 | C38 | C39 | 107.3° | 174.0° |
| SI08 | C10 | H102 | H101 | 119.1° | 120.0° |
| C10 | SI08 | C34 | H341 | 6.7° | 73.5° |
| C10 | SI08 | C34 | H342 | 112.9° | 46.4° |
| SI08 | C10 | C38 | H382 | 12.1° | 54.0° |
| SI08 | C10 | C38 | H381 | 133.3° | 66.0° |
| C34 | SI08 | C09 | C11 | 65.9° | 43.6° |
| C34 | SI08 | C09 | C15 | 114.4° | 135.6° |
| C34 | SI08 | C10 | C38 | 168.6° | 167.8° |
| SI08 | C34 | C35 | H341 | 120.2° | 120.0° |
| SI08 | C34 | C35 | H342 | 120.2° | 120.1° |
| SI08 | C34 | C35 | C36 | 76.0° | 172.8° |
| C34 | SI08 | C10 | H102 | 71.1° | 72.1° |
| C34 | SI08 | C10 | H101 | 48.3° | 47.9° |
| SI08 | C34 | H341 | H342 | 119.3° | 120.0° |
| SI08 | C34 | C35 | H352 | 43.5° | 52.8° |
| SI08 | C34 | C35 | H351 | 164.5° | 67.3° |
| C09 | C11 | C12 | H111 | 180.0° | 179.2° |
| C09 | C11 | C12 | C13 | 0.3° | 0.5° |
| C09 | C11 | C12 | C33 | 178.2° | 179.4° |
| C11 | C09 | C15 | C14 | 0.7° | 0.5° |
| C11 | C09 | C15 | H151 | 179.3° | 179.5° |
| C15 | C09 | C11 | C12 | 0.6° | 0.8° |
| C09 | C15 | C14 | C13 | 0.3° | 0.0° |
| C09 | C15 | C14 | H151 | 180.0° | 179.9° |
| C15 | C09 | C11 | H111 | 179.4° | 180.0° |
| C09 | C15 | C14 | H141 | 179.8° | 180.0° |
| C10 | C38 | C39 | H382 | 119.4° | 120.0° |
| C10 | C38 | C39 | H381 | 119.4° | 120.0° |
| C10 | C38 | C39 | C40 | 157.2° | 180.0° |
| C38 | C10 | H102 | H101 | 119.0° | 120.0° |
| C10 | C38 | H382 | H381 | 121.8° | 120.0° |
| C10 | C38 | C39 | H391 | 82.7° | 60.0° |
| C10 | C38 | C39 | H392 | 37.2° | 60.0° |
| C11 | C12 | C13 | C33 | 177.7° | 179.9° |
| C11 | C12 | C13 | C14 | 1.2° | 0.1° |
| C11 | C12 | C13 | O16 | 179.6° | 179.7° |
| C11 | C12 | C33 | H333 | 91.0° | 90.0° |
| C11 | C12 | C33 | H331 | 149.0° | 150.0° |
| C11 | C12 | C33 | H332 | 29.0° | 30.0° |
| C12 | C13 | C14 | O16 | 179.2° | 179.7° |
| C12 | C13 | C14 | C15 | 1.2° | 0.3° |
| C12 | C13 | O16 | C17 | 122.7° | 179.7° |
| C13 | C12 | C11 | H111 | 179.7° | 179.7° |
| C12 | C13 | C14 | H141 | 178.8° | 179.7° |
| C13 | C12 | C33 | H333 | 91.2° | 90.0° |
| C13 | C12 | C33 | H331 | 28.8° | 30.1° |
| C13 | C12 | C33 | H332 | 148.8° | 150.0° |
| C33 | C12 | C13 | C14 | 179.0° | 180.0° |
| C33 | C12 | C13 | O16 | 1.8° | 0.4° |
| C33 | C12 | C11 | H111 | 1.8° | 0.2° |
| C12 | C33 | H333 | H331 | 120.0° | 120.0° |
| C12 | C33 | H333 | H332 | 120.0° | 119.9° |
| C12 | C33 | H331 | H332 | 120.0° | 119.9° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C14 | C13 | O16 | C17 | 58.1° | 0.0° |
| C13 | C14 | C15 | H151 | 179.8° | 179.9° |
| O16 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | O16 | C17 | C18 | 166.5° | 180.0° |
| C13 | O16 | C17 | H172 | 73.2° | 60.0° |
| C13 | O16 | C17 | H171 | 46.3° | 60.0° |
| O16 | C13 | C14 | H141 | 0.4° | 0.1° |
| O16 | C17 | C18 | H172 | 120.3° | 120.0° |
| O16 | C17 | C18 | H171 | 120.2° | 120.0° |
| O16 | C17 | C18 | C19 | 36.7° | 55.0° |
| O16 | C17 | C18 | C21 | 155.4° | 175.0° |
| O16 | C17 | C18 | O23 | 87.2° | 65.0° |
| O16 | C17 | H172 | H171 | 119.2° | 120.0° |
| C17 | C18 | C19 | C21 | 119.1° | 120.0° |
| C17 | C18 | C19 | O23 | 125.9° | 120.0° |
| C17 | C18 | C21 | O23 | 121.9° | 120.0° |
| C17 | C18 | C19 | C20 | 175.5° | 178.5° |
| C17 | C18 | C21 | C22 | 57.7° | 59.3° |
| C18 | C17 | H172 | H171 | 119.2° | 120.0° |
| C17 | C18 | C21 | H212 | 62.0° | 179.2° |
| C17 | C18 | C21 | H211 | 177.3° | 60.7° |
| C17 | C18 | C19 | H191 | 55.9° | 58.5° |
| C17 | C18 | C19 | H192 | 64.9° | 61.6° |
| C17 | C18 | O23 | H231 | 180.0° | 60.0° |
| C19 | C18 | C21 | O23 | 117.2° | 120.0° |
| C18 | C19 | C20 | H191 | 119.6° | 120.0° |
| C18 | C19 | C20 | H192 | 119.6° | 120.0° |
| C19 | C18 | C21 | C22 | 63.3° | 179.3° |
| C19 | C18 | C17 | H172 | 83.5° | 65.0° |
| C19 | C18 | C17 | H171 | 157.0° | 175.0° |
| C18 | C19 | C20 | H202 | 180.0° | 173.5° |
| C18 | C19 | C20 | H203 | 60.0° | 53.4° |
| C18 | C19 | C20 | H201 | 60.0° | 66.5° |
| C19 | C18 | C21 | H212 | 177.1° | 60.8° |
| C19 | C18 | C21 | H211 | 56.4° | 59.2° |
| C18 | C19 | H191 | H192 | 121.2° | 120.1° |
| C19 | C18 | O23 | H231 | 55.0° | 180.0° |
| C21 | C18 | C19 | C20 | 65.4° | 61.5° |
| C18 | C21 | C22 | H212 | 119.7° | 120.0° |
| C18 | C21 | C22 | H211 | 119.7° | 120.0° |
| C21 | C18 | C17 | H172 | 35.2° | 55.0° |
| C21 | C18 | C17 | H171 | 84.3° | 65.0° |
| C18 | C21 | H212 | H211 | 121.0° | 120.0° |
| C18 | C21 | C22 | H223 | 180.0° | 176.9° |
| C18 | C21 | C22 | H221 | 60.0° | 63.1° |
| C18 | C21 | C22 | H222 | 60.0° | 56.9° |
| C21 | C18 | C19 | H191 | 175.0° | 178.5° |
| C21 | C18 | C19 | H192 | 54.2° | 58.4° |
| C21 | C18 | O23 | H231 | 61.1° | 60.0° |
| O23 | C18 | C19 | C20 | 49.6° | 58.5° |
| O23 | C18 | C21 | C22 | 179.5° | 60.7° |
| O23 | C18 | C17 | H172 | 152.6° | 175.0° |
| O23 | C18 | C17 | H171 | 33.1° | 55.0° |
| O23 | C18 | C21 | H212 | 59.9° | 59.2° |
| O23 | C18 | C21 | H211 | 60.8° | 179.3° |
| O23 | C18 | C19 | H191 | 70.0° | 61.5° |
| O23 | C18 | C19 | H192 | 169.2° | 178.5° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H201 | 120.0° | 120.0° |
| C19 | C20 | H203 | H201 | 120.0° | 120.0° |
| C20 | C19 | H191 | H192 | 121.2° | 119.9° |
| C22 | C21 | H212 | H211 | 121.0° | 120.0° |
| C21 | C22 | H223 | H221 | 120.0° | 120.0° |
| C21 | C22 | H223 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C24 | C25 | O26 | C27 | 122.8° | 120.0° |
| C24 | C25 | O26 | H251 | 119.5° | 120.0° |
| C24 | C25 | C27 | H251 | 120.4° | 120.0° |
| C24 | C25 | C27 | C28 | 104.5° | 175.0° |
| C25 | C24 | H242 | H241 | 118.9° | 120.0° |
| C24 | C25 | C27 | H272 | 135.4° | 54.9° |
| C24 | C25 | C27 | H271 | 15.6° | 65.0° |
| C24 | C25 | O26 | H261 | 180.0° | 60.0° |
| O26 | C25 | C27 | H251 | 118.8° | 120.0° |
| O26 | C25 | C27 | C28 | 134.8° | 64.9° |
| O26 | C25 | C24 | H242 | 170.8° | 175.0° |
| O26 | C25 | C24 | H241 | 69.9° | 55.0° |
| O26 | C25 | C27 | H272 | 14.7° | 175.0° |
| O26 | C25 | C27 | H271 | 105.1° | 55.0° |
| C25 | C27 | C28 | H272 | 120.1° | 120.1° |
| C25 | C27 | C28 | H271 | 120.1° | 119.9° |
| C25 | C27 | C28 | C29 | 125.5° | 180.0° |
| C27 | C25 | C24 | H242 | 51.9° | 55.0° |
| C27 | C25 | C24 | H241 | 171.2° | 65.0° |
| C25 | C27 | C28 | H282 | 114.2° | 60.0° |
| C25 | C27 | C28 | H281 | 5.3° | 59.9° |
| C25 | C27 | H272 | H271 | 119.8° | 120.0° |
| C27 | C25 | O26 | H261 | 57.2° | 60.0° |
| C27 | C28 | C29 | H282 | 120.3° | 120.0° |
| C27 | C28 | C29 | H281 | 120.3° | 120.1° |
| C27 | C28 | C29 | O30 | 47.4° | 0.0° |
| C27 | C28 | C29 | O31 | 133.6° | 180.0° |
| C27 | C28 | H282 | H281 | 119.2° | 120.0° |
| C28 | C27 | C25 | H251 | 15.9° | 55.1° |
| C28 | C27 | H272 | H271 | 119.7° | 120.0° |
| C28 | C29 | O30 | O31 | 178.9° | 180.0° |
| C29 | C28 | H282 | H281 | 119.2° | 120.0° |
| C29 | C28 | C27 | H272 | 5.4° | 60.0° |
| C29 | C28 | C27 | H271 | 114.4° | 60.0° |
| C28 | C29 | O31 | H1 | 178.9° | 180.0° |
| O30 | C29 | C28 | H282 | 167.7° | 120.0° |
| O30 | C29 | C28 | H281 | 72.9° | 120.0° |
| O30 | C29 | O31 | H1 | 0.0° | 0.0° |
| O31 | C29 | C28 | H282 | 13.4° | 60.0° |
| O31 | C29 | C28 | H281 | 106.1° | 60.0° |
| C34 | C35 | C36 | H352 | 119.5° | 120.1° |
| C34 | C35 | C36 | H351 | 119.5° | 120.0° |
| C34 | C35 | C36 | C37 | 161.0° | 180.0° |
| C35 | C34 | H341 | H342 | 119.3° | 120.0° |
| C34 | C35 | H352 | H351 | 121.6° | 120.0° |
| C34 | C35 | C36 | H361 | 42.2° | 60.0° |
| C34 | C35 | C36 | H362 | 80.2° | 60.1° |
| C35 | C36 | C37 | H361 | 118.8° | 120.0° |
| C35 | C36 | C37 | H362 | 118.8° | 120.0° |
| C36 | C35 | C34 | H341 | 163.7° | 52.8° |
| C36 | C35 | C34 | H342 | 44.2° | 67.1° |
| C36 | C35 | H352 | H351 | 121.6° | 119.9° |
| C35 | C36 | H361 | H362 | 123.4° | 120.0° |
| C35 | C36 | C37 | H372 | 180.0° | 60.0° |
| C35 | C36 | C37 | H371 | 60.0° | 60.0° |
| C35 | C36 | C37 | H373 | 60.0° | 180.0° |
| C37 | C36 | C35 | H352 | 79.5° | 60.0° |
| C37 | C36 | C35 | H351 | 41.6° | 60.0° |
| C37 | C36 | H361 | H362 | 123.4° | 120.0° |
| C36 | C37 | H372 | H371 | 120.0° | 120.0° |
| C36 | C37 | H372 | H373 | 120.0° | 120.0° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C38 | C39 | C40 | H391 | 120.1° | 120.1° |
| C38 | C39 | C40 | H392 | 120.1° | 120.0° |
| C39 | C38 | C10 | H102 | 132.4° | 54.0° |
| C39 | C38 | C10 | H101 | 13.1° | 66.0° |
| C39 | C38 | H382 | H381 | 121.8° | 120.0° |
| C38 | C39 | H391 | H392 | 119.7° | 120.0° |
| C38 | C39 | C40 | H401 | 180.0° | 59.9° |
| C38 | C39 | C40 | H403 | 60.0° | 60.0° |
| C38 | C39 | C40 | H402 | 60.0° | 180.0° |
| C40 | C39 | C38 | H382 | 37.8° | 60.0° |
| C40 | C39 | C38 | H381 | 83.4° | 60.0° |
| C40 | C39 | H391 | H392 | 119.7° | 120.0° |
| C39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C39 | C40 | H401 | H402 | 120.0° | 120.1° |
| C39 | C40 | H403 | H402 | 120.0° | 120.0° |
| H102 | C10 | C38 | H382 | 108.2° | 66.0° |
| H102 | C10 | C38 | H381 | 13.0° | 174.0° |
| H101 | C10 | C38 | H382 | 132.4° | 174.0° |
| H101 | C10 | C38 | H381 | 106.3° | 54.0° |
| H151 | C15 | C14 | H141 | 0.2° | 0.1° |
| H202 | C20 | H203 | H201 | 120.0° | 119.9° |
| H202 | C20 | C19 | H191 | 60.4° | 53.4° |
| H202 | C20 | C19 | H192 | 60.4° | 66.5° |
| H203 | C20 | C19 | H191 | 179.6° | 66.6° |
| H203 | C20 | C19 | H192 | 59.6° | 173.4° |
| H201 | C20 | C19 | H191 | 59.6° | 173.5° |
| H201 | C20 | C19 | H192 | 179.6° | 53.5° |
| H212 | C21 | C22 | H223 | 60.3° | 63.1° |
| H212 | C21 | C22 | H221 | 179.7° | 56.9° |
| H212 | C21 | C22 | H222 | 59.7° | 176.9° |
| H211 | C21 | C22 | H223 | 60.3° | 56.9° |
| H211 | C21 | C22 | H221 | 59.7° | 176.9° |
| H211 | C21 | C22 | H222 | 179.7° | 63.1° |
| H223 | C22 | H221 | H222 | 120.0° | 120.0° |
| H242 | C24 | C25 | H251 | 68.6° | 65.0° |
| H241 | C24 | C25 | H251 | 50.7° | 175.0° |
| H282 | C28 | C27 | H272 | 125.7° | 60.0° |
| H282 | C28 | C27 | H271 | 5.9° | 179.9° |
| H281 | C28 | C27 | H272 | 114.8° | 180.0° |
| H281 | C28 | C27 | H271 | 125.4° | 60.0° |
| H011 | C01 | C06 | H061 | 0.3° | 0.3° |
| H251 | C25 | C27 | H272 | 104.1° | 65.0° |
| H251 | C25 | C27 | H271 | 136.0° | 175.0° |
| H251 | C25 | O26 | H261 | 60.5° | 180.0° |
| H321 | C32 | H323 | H322 | 120.0° | 120.1° |
| H333 | C33 | H331 | H332 | 120.0° | 120.0° |
| H341 | C34 | C35 | H352 | 76.8° | 67.2° |
| H341 | C34 | C35 | H351 | 44.3° | 172.8° |
| H342 | C34 | C35 | H352 | 163.7° | 172.8° |
| H342 | C34 | C35 | H351 | 75.3° | 52.8° |
| H352 | C35 | C36 | H361 | 161.7° | 180.0° |
| H352 | C35 | C36 | H362 | 39.3° | 60.0° |
| H351 | C35 | C36 | H361 | 77.2° | 60.0° |
| H351 | C35 | C36 | H362 | 160.4° | 180.0° |
| H361 | C36 | C37 | H372 | 61.2° | 180.0° |
| H361 | C36 | C37 | H371 | 178.8° | 60.0° |
| H361 | C36 | C37 | H373 | 58.8° | 60.0° |
| H362 | C36 | C37 | H372 | 61.2° | 60.0° |
| H362 | C36 | C37 | H371 | 58.8° | 180.0° |
| H362 | C36 | C37 | H373 | 178.8° | 60.0° |
| H372 | C37 | H371 | H373 | 120.0° | 120.0° |
| H382 | C38 | C39 | H391 | 157.9° | 180.0° |
| H382 | C38 | C39 | H392 | 82.2° | 60.0° |
| H381 | C38 | C39 | H391 | 36.7° | 60.0° |
| H381 | C38 | C39 | H392 | 156.6° | NaN° |
| H391 | C39 | C40 | H401 | 59.9° | 180.0° |
| H391 | C39 | C40 | H403 | 179.9° | 60.0° |
| H391 | C39 | C40 | H402 | 60.1° | 59.9° |
| H392 | C39 | C40 | H401 | 59.9° | 60.0° |
| H392 | C39 | C40 | H403 | 60.0° | 180.0° |
| H392 | C39 | C40 | H402 | 179.9° | 60.0° |
| H401 | C40 | H403 | H402 | 120.0° | 120.0° |
