ILJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C38 | C37 | sing | 1.53Å | 1.55Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| C36 | C35 | sing | 1.53Å | 1.57Å | |
| O34 | C35 | sing | 1.43Å | 1.41Å | |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| O31 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| C29 | N28 | sing | 1.47Å | 1.44Å | |
| N28 | C26 | sing | 1.35Å | 1.45Å | |
| O27 | C26 | doub | 1.22Å | 1.19Å | |
| C26 | C24 | sing | 1.48Å | 1.55Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| N16 | C03 | sing | 1.39Å | 1.47Å | |
| C20 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | C08 | sing | 1.47Å | 1.54Å | |
| C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C01 | sing | 1.48Å | 1.54Å | |
| C06 | C08 | sing | 1.45Å | 1.54Å | |
| C06 | C05 | doub | 1.41Å | 1.41Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.53Å | |
| C04 | C05 | sing | 1.34Å | 1.39Å | Aromatic |
| C05 | SI17 | sing | 1.89Å | 1.79Å | |
| C01 | O42 | doub | 1.21Å | 1.26Å | |
| C01 | O43 | sing | 1.35Å | 1.26Å | |
| C09 | C14 | sing | 1.42Å | 1.41Å | |
| C09 | C10 | sing | 1.43Å | 1.39Å | |
| C19 | SI17 | sing | 1.86Å | 1.92Å | |
| C14 | C13 | doub | 1.35Å | 1.39Å | |
| SI17 | C10 | sing | 1.89Å | 1.79Å | |
| SI17 | C18 | sing | 1.86Å | 1.92Å | |
| C10 | C11 | doub | 1.33Å | 1.40Å | |
| C13 | C12 | sing | 1.46Å | 1.39Å | |
| C11 | C12 | sing | 1.47Å | 1.40Å | |
| C12 | N15 | doub | 1.32Å | 1.47Å | |
| C41 | N15 | sing | 1.47Å | 1.48Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | 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 | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| O43 | H3 | sing | 0.97Å | 0.95Å | |
| C40 | CL1 | sing | 1.80Å | 1.38Å | |
| N15 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | C38 | 112.9° | 109.4° |
| C40 | C39 | H391 | 108.6° | 109.5° |
| C40 | C39 | H392 | 108.6° | 109.5° |
| C39 | C40 | H2 | 109.0° | 109.5° |
| C39 | C40 | H403 | 109.1° | 109.5° |
| C39 | C40 | CL1 | 111.1° | 109.4° |
| C39 | C38 | C37 | 112.4° | 109.4° |
| C39 | C38 | H381 | 108.7° | 109.5° |
| C39 | C38 | H382 | 108.8° | 109.4° |
| C38 | C39 | H391 | 108.6° | 109.4° |
| C38 | C39 | H392 | 108.6° | 109.4° |
| C38 | C37 | C36 | 113.5° | 109.4° |
| C38 | C37 | H372 | 108.5° | 109.5° |
| C38 | C37 | H371 | 108.5° | 109.5° |
| C37 | C38 | H381 | 108.7° | 109.5° |
| C37 | C38 | H382 | 108.7° | 109.5° |
| C37 | C36 | C35 | 114.6° | 109.5° |
| C37 | C36 | H361 | 108.1° | 109.5° |
| C37 | C36 | H362 | 108.2° | 109.5° |
| C36 | C37 | H372 | 108.5° | 109.5° |
| C36 | C37 | H371 | 108.4° | 109.5° |
| C36 | C35 | O34 | 107.6° | 109.5° |
| C36 | C35 | H352 | 109.9° | 109.5° |
| C36 | C35 | H351 | 109.9° | 109.4° |
| C35 | C36 | H361 | 108.2° | 109.4° |
| C35 | C36 | H362 | 108.2° | 109.5° |
| C35 | O34 | C33 | 117.0° | 114.0° |
| O34 | C35 | H352 | 110.0° | 109.5° |
| O34 | C35 | H351 | 109.9° | 109.5° |
| O34 | C33 | C32 | 110.8° | 109.5° |
| O34 | C33 | H332 | 109.2° | 109.5° |
| O34 | C33 | H331 | 109.2° | 109.5° |
| C33 | C32 | O31 | 113.7° | 109.4° |
| C33 | C32 | H322 | 108.4° | 109.5° |
| C33 | C32 | H321 | 108.4° | 109.5° |
| C32 | C33 | H332 | 109.1° | 109.4° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| C32 | O31 | C30 | 111.6° | 114.0° |
| O31 | C32 | H322 | 108.4° | 109.5° |
| O31 | C32 | H321 | 108.4° | 109.5° |
| O31 | C30 | C29 | 116.6° | 109.5° |
| O31 | C30 | H301 | 107.6° | 109.5° |
| O31 | C30 | H302 | 107.6° | 109.4° |
| C30 | C29 | N28 | 104.9° | 109.5° |
| C30 | C29 | H291 | 110.6° | 109.5° |
| C30 | C29 | H292 | 110.6° | 109.5° |
| C29 | C30 | H301 | 107.7° | 109.4° |
| C29 | C30 | H302 | 107.7° | 109.5° |
| C29 | N28 | C26 | 127.4° | 120.0° |
| N28 | C29 | H291 | 110.6° | 109.5° |
| N28 | C29 | H292 | 110.6° | 109.4° |
| C29 | N28 | H281 | 116.3° | 120.0° |
| N28 | C26 | O27 | 111.2° | 120.0° |
| N28 | C26 | C24 | 131.2° | 120.1° |
| C26 | N28 | H281 | 116.3° | 120.0° |
| O27 | C26 | C24 | 117.3° | 120.0° |
| C26 | C24 | C23 | 125.0° | 119.9° |
| C26 | C24 | C25 | 116.4° | 119.9° |
| C23 | C24 | C25 | 118.0° | 120.2° |
| C24 | C23 | C22 | 120.7° | 120.3° |
| C24 | C23 | H231 | 119.6° | 119.9° |
| C24 | C25 | C20 | 121.2° | 119.8° |
| C24 | C25 | H251 | 119.4° | 120.1° |
| C23 | C22 | C21 | 120.4° | 120.2° |
| C23 | C22 | H221 | 119.8° | 119.9° |
| C22 | C23 | H231 | 119.7° | 119.8° |
| C25 | C20 | C21 | 120.4° | 119.7° |
| C25 | C20 | C08 | 120.1° | 120.2° |
| C20 | C25 | H251 | 119.4° | 120.0° |
| C07 | C02 | C03 | 120.2° | 121.3° |
| C02 | C07 | C06 | 119.3° | 120.2° |
| C07 | C02 | H021 | 119.9° | 119.3° |
| C02 | C07 | H071 | 120.4° | 120.0° |
| C02 | C03 | N16 | 120.3° | 120.3° |
| C02 | C03 | C04 | 120.5° | 119.4° |
| C03 | C02 | H021 | 119.9° | 119.3° |
| C22 | C21 | C20 | 119.1° | 119.8° |
| C22 | C21 | C01 | 123.1° | 120.1° |
| C21 | C22 | H221 | 119.8° | 119.9° |
| C07 | C06 | C08 | 117.5° | 120.5° |
| C07 | C06 | C05 | 120.7° | 116.9° |
| C06 | C07 | H071 | 120.4° | 119.8° |
| N16 | C03 | C04 | 119.2° | 120.3° |
| C03 | N16 | H161 | 109.5° | 120.0° |
| C03 | N16 | H162 | 109.5° | 120.0° |
| C21 | C20 | C08 | 119.4° | 120.1° |
| C20 | C21 | C01 | 117.8° | 120.1° |
| C20 | C08 | C06 | 118.9° | 112.5° |
| C20 | C08 | C09 | 116.4° | 112.5° |
| C03 | C04 | C05 | 119.9° | 118.9° |
| C03 | C04 | H041 | 120.1° | 120.5° |
| C21 | C01 | O42 | 121.7° | 120.0° |
| C21 | C01 | O43 | 118.6° | 120.0° |
| C08 | C06 | C05 | 121.7° | 122.6° |
| C06 | C08 | C09 | 124.0° | 134.9° |
| C06 | C05 | C04 | 119.5° | 123.1° |
| C06 | C05 | SI17 | 120.6° | 114.0° |
| C08 | C09 | C14 | 114.9° | 119.2° |
| C08 | C09 | C10 | 123.6° | 122.8° |
| C04 | C05 | SI17 | 119.9° | 122.9° |
| C05 | C04 | H041 | 120.0° | 120.5° |
| C05 | SI17 | C19 | 108.8° | 109.1° |
| C05 | SI17 | C10 | 110.4° | 111.4° |
| C05 | SI17 | C18 | 110.9° | 109.1° |
| O42 | C01 | O43 | 119.7° | 120.0° |
| C01 | O43 | H3 | 109.5° | 117.0° |
| C14 | C09 | C10 | 121.5° | 118.0° |
| C09 | C14 | C13 | 119.5° | 121.4° |
| C09 | C14 | H141 | 120.3° | 119.3° |
| C09 | C10 | SI17 | 119.7° | 114.2° |
| C09 | C10 | C11 | 118.5° | 123.7° |
| C19 | SI17 | C10 | 111.6° | 109.1° |
| C19 | SI17 | C18 | 105.3° | 109.1° |
| SI17 | C19 | H192 | 109.5° | 109.5° |
| SI17 | C19 | H193 | 109.5° | 109.5° |
| SI17 | C19 | H191 | 109.4° | 109.5° |
| C14 | C13 | C12 | 119.5° | 120.4° |
| C14 | C13 | H131 | 120.3° | 119.8° |
| C13 | C14 | H141 | 120.2° | 119.3° |
| C10 | SI17 | C18 | 109.8° | 109.0° |
| SI17 | C10 | C11 | 121.9° | 122.0° |
| SI17 | C18 | H183 | 109.5° | 109.5° |
| SI17 | C18 | H182 | 109.5° | 109.5° |
| SI17 | C18 | H181 | 109.5° | 109.5° |
| C10 | C11 | C12 | 120.2° | 118.5° |
| C10 | C11 | H111 | 119.9° | 120.7° |
| C13 | C12 | C11 | 120.8° | 118.0° |
| C13 | C12 | N15 | 118.0° | 121.0° |
| C12 | C13 | H131 | 120.3° | 119.9° |
| C11 | C12 | N15 | 121.2° | 121.0° |
| C12 | C11 | H111 | 119.9° | 120.8° |
| C12 | N15 | C41 | 123.1° | 120.0° |
| C12 | N15 | H1 | 118.5° | 120.0° |
| N15 | C41 | H411 | 109.5° | 109.5° |
| N15 | C41 | H412 | 109.4° | 109.5° |
| N15 | C41 | H413 | 109.5° | 109.5° |
| C41 | N15 | H1 | 118.4° | 120.0° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H181 | 109.4° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.4° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H2 | C40 | H403 | 109.5° | 109.5° |
| H2 | C40 | CL1 | 109.1° | 109.5° |
| H403 | C40 | CL1 | 109.1° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.4° |
| H161 | N16 | H162 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | C38 | H391 | 120.5° | 120.0° |
| C40 | C39 | C38 | H392 | 120.5° | 120.0° |
| C40 | C39 | C38 | C37 | 158.4° | NaN° |
| C40 | C39 | C38 | H381 | 38.0° | 60.0° |
| C40 | C39 | C38 | H382 | 81.2° | 60.0° |
| C40 | C39 | H391 | H392 | 118.4° | 120.1° |
| C39 | C40 | H2 | H403 | 119.2° | 120.0° |
| C39 | C40 | H2 | CL1 | 121.5° | 120.0° |
| C39 | C40 | H403 | CL1 | 121.5° | 120.0° |
| C39 | C38 | C37 | H381 | 120.4° | 120.0° |
| C39 | C38 | C37 | H382 | 120.4° | 119.9° |
| C39 | C38 | C37 | C36 | 169.5° | 180.0° |
| C39 | C38 | C37 | H372 | 48.9° | 60.0° |
| C39 | C38 | C37 | H371 | 70.0° | 60.0° |
| C39 | C38 | H381 | H382 | 118.7° | 119.9° |
| C38 | C39 | H391 | H392 | 118.5° | 119.9° |
| C38 | C39 | C40 | H2 | 165.8° | 60.0° |
| C38 | C39 | C40 | H403 | 46.3° | 60.0° |
| C38 | C39 | C40 | CL1 | 73.9° | 180.0° |
| C38 | C37 | C36 | H372 | 120.6° | 120.0° |
| C38 | C37 | C36 | H371 | 120.6° | 120.0° |
| C38 | C37 | C36 | C35 | 179.8° | 180.0° |
| C38 | C37 | C36 | H361 | 59.1° | 60.0° |
| C38 | C37 | C36 | H362 | 59.4° | 60.0° |
| C38 | C37 | H372 | H371 | 118.2° | 120.0° |
| C37 | C38 | H381 | H382 | 118.7° | 120.1° |
| C37 | C38 | C39 | H391 | 81.1° | 60.0° |
| C37 | C38 | C39 | H392 | 37.9° | 60.0° |
| C37 | C36 | C35 | H361 | 120.7° | 120.0° |
| C37 | C36 | C35 | H362 | 120.7° | 120.0° |
| C37 | C36 | C35 | O34 | 62.9° | 180.0° |
| C37 | C36 | C35 | H352 | 56.8° | 60.0° |
| C37 | C36 | C35 | H351 | 177.4° | 60.0° |
| C37 | C36 | H361 | H362 | 117.7° | 120.0° |
| C36 | C37 | H372 | H371 | 118.2° | 120.0° |
| C36 | C37 | C38 | H381 | 70.1° | 60.0° |
| C36 | C37 | C38 | H382 | 49.0° | 60.1° |
| C36 | C35 | O34 | H352 | 119.7° | 120.0° |
| C36 | C35 | O34 | H351 | 119.7° | 119.9° |
| C36 | C35 | O34 | C33 | 175.3° | 180.0° |
| C36 | C35 | H352 | H351 | 120.8° | 120.0° |
| C35 | C36 | H361 | H362 | 117.7° | 120.0° |
| C35 | C36 | C37 | H372 | 59.6° | 60.0° |
| C35 | C36 | C37 | H371 | 59.2° | 60.0° |
| C35 | O34 | C33 | C32 | 84.6° | 180.0° |
| C35 | O34 | C33 | H332 | 155.2° | 60.1° |
| C35 | O34 | C33 | H331 | 35.6° | 60.0° |
| O34 | C35 | H352 | H351 | 120.9° | 120.0° |
| O34 | C35 | C36 | H361 | 176.4° | 60.0° |
| O34 | C35 | C36 | H362 | 57.8° | 60.0° |
| O34 | C33 | C32 | H332 | 120.2° | 120.0° |
| O34 | C33 | C32 | H331 | 120.2° | 120.0° |
| O34 | C33 | C32 | O31 | 86.7° | 65.0° |
| O34 | C33 | C32 | H322 | 152.7° | 175.0° |
| O34 | C33 | C32 | H321 | 33.9° | 55.0° |
| O34 | C33 | H332 | H331 | 119.4° | 120.0° |
| C33 | O34 | C35 | H352 | 55.6° | 60.0° |
| C33 | O34 | C35 | H351 | 65.0° | 60.0° |
| C33 | C32 | O31 | H322 | 120.6° | 120.0° |
| C33 | C32 | O31 | H321 | 120.6° | 120.0° |
| C33 | C32 | O31 | C30 | 120.4° | 180.0° |
| C33 | C32 | H322 | H321 | 118.1° | 120.0° |
| C32 | C33 | H332 | H331 | 119.4° | 120.0° |
| C32 | O31 | C30 | C29 | 165.2° | 180.0° |
| C32 | O31 | C30 | H301 | 73.8° | 60.0° |
| C32 | O31 | C30 | H302 | 44.1° | 60.0° |
| O31 | C32 | H322 | H321 | 118.1° | 120.0° |
| O31 | C32 | C33 | H332 | 33.5° | 175.0° |
| O31 | C32 | C33 | H331 | 153.1° | 55.0° |
| O31 | C30 | C29 | H301 | 121.0° | 120.1° |
| O31 | C30 | C29 | H302 | 121.0° | 120.0° |
| O31 | C30 | C29 | N28 | 33.1° | 64.9° |
| O31 | C30 | C29 | H291 | 86.2° | 175.0° |
| O31 | C30 | C29 | H292 | 152.4° | 55.0° |
| O31 | C30 | H301 | H302 | 116.7° | 120.0° |
| C30 | O31 | C32 | H322 | 0.2° | 60.0° |
| C30 | O31 | C32 | H321 | 119.0° | 60.0° |
| C30 | C29 | N28 | H291 | 119.3° | 120.0° |
| C30 | C29 | N28 | H292 | 119.3° | 120.0° |
| C30 | C29 | N28 | C26 | 121.8° | 180.0° |
| C30 | C29 | H291 | H292 | 122.1° | 120.0° |
| C29 | C30 | H301 | H302 | 116.8° | 120.0° |
| C30 | C29 | N28 | H281 | 58.2° | 0.1° |
| C29 | N28 | C26 | H281 | 180.0° | 179.9° |
| C29 | N28 | C26 | O27 | 177.5° | 0.1° |
| C29 | N28 | C26 | C24 | 9.2° | 179.9° |
| N28 | C29 | H291 | H292 | 122.1° | 120.0° |
| N28 | C29 | C30 | H301 | 154.2° | 175.0° |
| N28 | C29 | C30 | H302 | 87.9° | 55.0° |
| N28 | C26 | O27 | C24 | 174.3° | 180.0° |
| N28 | C26 | C24 | C23 | 6.2° | 0.0° |
| N28 | C26 | C24 | C25 | 177.5° | 179.7° |
| C26 | N28 | C29 | H291 | 119.0° | 60.0° |
| C26 | N28 | C29 | H292 | 2.5° | 60.0° |
| O27 | C26 | C24 | C23 | 166.7° | 179.9° |
| O27 | C26 | C24 | C25 | 4.6° | 0.3° |
| O27 | C26 | N28 | H281 | 2.5° | 180.0° |
| C26 | C24 | C23 | C25 | 171.2° | 179.7° |
| C26 | C24 | C23 | C22 | 176.0° | 179.9° |
| C26 | C24 | C25 | C20 | 176.1° | 179.7° |
| C26 | C24 | C23 | H231 | 4.0° | 0.1° |
| C26 | C24 | C25 | H251 | 3.8° | 0.3° |
| C24 | C26 | N28 | H281 | 170.8° | 0.0° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 4.2° | 0.6° |
| C24 | C23 | C22 | C21 | 2.8° | 0.1° |
| C24 | C23 | C22 | H221 | 177.2° | 180.0° |
| C23 | C24 | C25 | H251 | 175.8° | 179.9° |
| C25 | C24 | C23 | C22 | 4.8° | 0.4° |
| C24 | C25 | C20 | H251 | 180.0° | 179.4° |
| C24 | C25 | C20 | C21 | 1.5° | 0.6° |
| C24 | C25 | C20 | C08 | 177.1° | 179.7° |
| C25 | C24 | C23 | H231 | 175.2° | 179.7° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | C01 | 179.6° | 180.0° |
| C25 | C20 | C21 | C22 | 0.7° | 0.3° |
| C25 | C20 | C21 | C08 | 178.6° | 179.7° |
| C25 | C20 | C21 | C01 | 179.0° | 179.8° |
| C25 | C20 | C08 | C06 | 87.9° | 105.2° |
| C25 | C20 | C08 | C09 | 82.4° | 74.7° |
| C07 | C02 | C03 | H021 | 180.0° | 179.8° |
| C02 | C07 | C06 | H071 | 180.0° | 179.9° |
| C07 | C02 | C03 | N16 | 179.7° | 179.9° |
| C07 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C07 | C06 | C08 | 179.8° | 180.0° |
| C02 | C07 | C06 | C05 | 0.4° | 0.1° |
| C03 | C02 | C07 | C06 | 0.3° | 0.1° |
| C02 | C03 | N16 | C04 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | H041 | 179.7° | 180.0° |
| C03 | C02 | C07 | H071 | 179.8° | 180.0° |
| C02 | C03 | N16 | H161 | 180.0° | 0.1° |
| C02 | C03 | N16 | H162 | 60.0° | 180.0° |
| C22 | C21 | C20 | C01 | 179.6° | 179.9° |
| C22 | C21 | C20 | C08 | 179.3° | 180.0° |
| C22 | C21 | C01 | O42 | 92.3° | 179.9° |
| C22 | C21 | C01 | O43 | 88.8° | 0.3° |
| C21 | C22 | C23 | H231 | 177.2° | 180.0° |
| C07 | C06 | C08 | C20 | 11.7° | 0.1° |
| C07 | C06 | C08 | C05 | 179.4° | 180.0° |
| C07 | C06 | C08 | C09 | 178.8° | 180.0° |
| C07 | C06 | C05 | C04 | 0.5° | 0.1° |
| C07 | C06 | C05 | SI17 | 179.9° | 180.0° |
| C06 | C07 | C02 | H021 | 179.7° | 179.7° |
| N16 | C03 | C04 | C05 | 179.8° | 180.0° |
| N16 | C03 | C02 | H021 | 0.3° | 0.3° |
| N16 | C03 | C04 | H041 | 0.2° | 0.0° |
| C03 | N16 | H161 | H162 | 120.0° | 179.9° |
| C21 | C20 | C08 | C06 | 93.5° | 75.0° |
| C21 | C20 | C08 | C09 | 96.2° | 105.0° |
| C20 | C21 | C01 | O42 | 88.0° | 0.0° |
| C20 | C21 | C01 | O43 | 90.9° | 179.7° |
| C20 | C21 | C22 | H221 | 180.0° | 179.9° |
| C21 | C20 | C25 | H251 | 178.5° | 180.0° |
| C08 | C20 | C21 | C01 | 0.4° | 0.0° |
| C20 | C08 | C06 | C09 | 169.5° | 179.9° |
| C20 | C08 | C06 | C05 | 168.9° | 179.9° |
| C20 | C08 | C09 | C14 | 11.1° | 0.1° |
| C20 | C08 | C09 | C10 | 168.3° | 180.0° |
| C08 | C20 | C25 | H251 | 2.9° | 0.2° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | SI17 | 179.9° | 180.0° |
| C04 | C03 | C02 | H021 | 179.8° | 179.7° |
| C04 | C03 | N16 | H161 | 0.5° | 180.0° |
| C04 | C03 | N16 | H162 | 119.5° | 0.0° |
| C21 | C01 | O42 | O43 | 178.9° | 179.7° |
| C01 | C21 | C22 | H221 | 0.4° | 0.1° |
| C21 | C01 | O43 | H3 | 178.9° | 179.7° |
| C08 | C06 | C05 | C04 | 179.9° | 180.0° |
| C08 | C06 | C05 | SI17 | 0.7° | 0.0° |
| C06 | C08 | C09 | C14 | 179.1° | 180.0° |
| C06 | C08 | C09 | C10 | 1.4° | 0.1° |
| C08 | C06 | C07 | H071 | 0.2° | 0.1° |
| C05 | C06 | C08 | C09 | 0.6° | 0.0° |
| C06 | C05 | C04 | SI17 | 179.4° | 180.0° |
| C06 | C05 | SI17 | C19 | 121.6° | 120.5° |
| C06 | C05 | SI17 | C10 | 1.2° | 0.0° |
| C06 | C05 | SI17 | C18 | 123.1° | 120.4° |
| C06 | C05 | C04 | H041 | 179.5° | 180.0° |
| C05 | C06 | C07 | H071 | 179.6° | 180.0° |
| C08 | C09 | C14 | C10 | 179.5° | 179.9° |
| C08 | C09 | C14 | C13 | 179.3° | 180.0° |
| C08 | C09 | C10 | SI17 | 0.7° | 0.1° |
| C08 | C09 | C10 | C11 | 179.8° | 180.0° |
| C08 | C09 | C14 | H141 | 0.7° | 0.0° |
| C04 | C05 | SI17 | C19 | 57.8° | 59.5° |
| C04 | C05 | SI17 | C10 | 179.4° | 180.0° |
| C04 | C05 | SI17 | C18 | 57.5° | 59.6° |
| C05 | SI17 | C10 | C09 | 0.5° | 0.0° |
| C05 | SI17 | C19 | C10 | 122.1° | 121.9° |
| C05 | SI17 | C19 | C18 | 118.9° | 119.1° |
| C05 | SI17 | C10 | C18 | 122.6° | 120.5° |
| C05 | SI17 | C10 | C11 | 179.0° | 180.0° |
| SI17 | C05 | C04 | H041 | 0.1° | 0.0° |
| C05 | SI17 | C18 | H183 | 180.0° | 60.0° |
| C05 | SI17 | C18 | H182 | 60.0° | 180.0° |
| C05 | SI17 | C18 | H181 | 60.0° | 60.0° |
| C05 | SI17 | C19 | H192 | 180.0° | 60.0° |
| C05 | SI17 | C19 | H193 | 60.0° | 180.0° |
| C05 | SI17 | C19 | H191 | 60.0° | 60.0° |
| O42 | C01 | O43 | H3 | 0.0° | 0.0° |
| C09 | C14 | C13 | H141 | 180.0° | 180.0° |
| C14 | C09 | C10 | SI17 | 179.9° | 180.0° |
| C14 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | C14 | C13 | C12 | 0.5° | 0.0° |
| C09 | C14 | C13 | H131 | 179.5° | 180.0° |
| C09 | C10 | SI17 | C19 | 120.6° | 120.5° |
| C10 | C09 | C14 | C13 | 0.2° | 0.0° |
| C09 | C10 | SI17 | C11 | 179.6° | 179.9° |
| C09 | C10 | SI17 | C18 | 123.1° | 120.4° |
| C09 | C10 | C11 | C12 | 0.5° | 0.0° |
| C09 | C10 | C11 | H111 | 179.5° | 180.0° |
| C10 | C09 | C14 | H141 | 179.8° | 180.0° |
| C19 | SI17 | C10 | C18 | 116.3° | 119.0° |
| C19 | SI17 | C10 | C11 | 59.8° | 59.5° |
| C19 | SI17 | C18 | H183 | 62.5° | 179.0° |
| C19 | SI17 | C18 | H182 | 57.5° | 60.9° |
| C19 | SI17 | C18 | H181 | 177.5° | 59.1° |
| SI17 | C19 | H192 | H193 | 120.0° | 120.0° |
| SI17 | C19 | H192 | H191 | 120.0° | 120.0° |
| SI17 | C19 | H193 | H191 | 120.0° | 120.1° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | N15 | 179.8° | 180.0° |
| SI17 | C10 | C11 | C12 | 179.9° | 180.0° |
| SI17 | C10 | C11 | H111 | 0.0° | 0.1° |
| C10 | SI17 | C18 | H183 | 57.7° | 61.9° |
| C10 | SI17 | C18 | H182 | 177.7° | 58.1° |
| C10 | SI17 | C18 | H181 | 62.3° | 178.1° |
| C10 | SI17 | C19 | H192 | 57.9° | 178.1° |
| C10 | SI17 | C19 | H193 | 62.1° | 58.0° |
| C10 | SI17 | C19 | H191 | 177.9° | 62.0° |
| C18 | SI17 | C10 | C11 | 56.5° | 59.5° |
| SI17 | C18 | H183 | H182 | 120.0° | 120.0° |
| SI17 | C18 | H183 | H181 | 120.0° | 120.0° |
| SI17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C18 | SI17 | C19 | H192 | 61.1° | 59.1° |
| C18 | SI17 | C19 | H193 | 178.9° | 61.0° |
| C18 | SI17 | C19 | H191 | 58.9° | 179.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | N15 | 179.7° | 180.0° |
| C13 | C12 | C11 | N15 | 179.9° | 180.0° |
| C13 | C12 | N15 | C41 | 14.2° | 0.0° |
| C13 | C12 | C11 | H111 | 179.9° | 180.0° |
| C12 | C13 | C14 | H141 | 179.5° | 180.0° |
| C13 | C12 | N15 | H1 | 165.8° | 180.0° |
| C11 | C12 | N15 | C41 | 165.7° | 180.0° |
| C11 | C12 | C13 | H131 | 179.6° | 180.0° |
| C11 | C12 | N15 | H1 | 14.3° | 0.1° |
| C12 | N15 | C41 | H1 | 180.0° | 179.9° |
| N15 | C12 | C11 | H111 | 0.3° | 0.0° |
| N15 | C12 | C13 | H131 | 0.2° | 0.0° |
| C12 | N15 | C41 | H411 | 180.0° | 60.0° |
| C12 | N15 | C41 | H412 | 60.0° | 60.1° |
| C12 | N15 | C41 | H413 | 60.0° | 180.0° |
| N15 | C41 | H411 | H412 | 120.0° | 120.0° |
| N15 | C41 | H411 | H413 | 120.0° | 120.0° |
| N15 | C41 | H412 | H413 | 120.0° | 120.0° |
| H021 | C02 | C07 | H071 | 0.2° | 0.2° |
| H131 | C13 | C14 | H141 | 0.5° | 0.0° |
| H183 | C18 | H182 | H181 | 120.0° | 119.9° |
| H192 | C19 | H193 | H191 | 120.0° | 119.9° |
| H221 | C22 | C23 | H231 | 2.8° | 0.1° |
| H291 | C29 | C30 | H301 | 34.9° | 55.0° |
| H291 | C29 | C30 | H302 | 152.8° | 65.0° |
| H291 | C29 | N28 | H281 | 61.0° | 120.0° |
| H292 | C29 | C30 | H301 | 86.6° | 65.1° |
| H292 | C29 | C30 | H302 | 31.4° | 175.0° |
| H292 | C29 | N28 | H281 | 177.5° | 120.1° |
| H322 | C32 | C33 | H332 | 87.0° | 55.0° |
| H322 | C32 | C33 | H331 | 32.5° | 65.0° |
| H321 | C32 | C33 | H332 | 154.2° | 65.0° |
| H321 | C32 | C33 | H331 | 86.3° | 175.0° |
| H352 | C35 | C36 | H361 | 63.9° | 60.0° |
| H352 | C35 | C36 | H362 | 177.6° | 180.0° |
| H351 | C35 | C36 | H361 | 56.7° | 180.0° |
| H351 | C35 | C36 | H362 | 61.9° | 60.0° |
| H361 | C36 | C37 | H372 | 179.7° | 180.0° |
| H361 | C36 | C37 | H371 | 61.5° | 60.0° |
| H362 | C36 | C37 | H372 | 61.2° | 60.0° |
| H362 | C36 | C37 | H371 | 180.0° | 180.0° |
| H372 | C37 | C38 | H381 | 169.3° | 180.0° |
| H372 | C37 | C38 | H382 | 71.6° | 59.9° |
| H371 | C37 | C38 | H381 | 50.4° | 60.0° |
| H371 | C37 | C38 | H382 | 169.6° | 180.0° |
| H381 | C38 | C39 | H391 | 158.5° | 180.0° |
| H381 | C38 | C39 | H392 | 82.5° | 60.0° |
| H382 | C38 | C39 | H391 | 39.3° | 60.0° |
| H382 | C38 | C39 | H392 | 158.4° | 180.0° |
| H391 | C39 | C40 | H2 | 45.3° | 180.0° |
| H391 | C39 | C40 | H403 | 74.2° | 59.9° |
| H391 | C39 | C40 | CL1 | 165.6° | 60.0° |
| H392 | C39 | C40 | H2 | 73.7° | 59.9° |
| H392 | C39 | C40 | H403 | 166.8° | 180.0° |
| H392 | C39 | C40 | CL1 | 46.6° | 60.1° |
| H2 | C40 | H403 | CL1 | 119.3° | 120.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H411 | C41 | N15 | H1 | 0.0° | 119.9° |
| H412 | C41 | N15 | H1 | 120.0° | 120.0° |
| H413 | C41 | N15 | H1 | 120.0° | 0.1° |
