A1LV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.53Å | Aromatic |
| CL14 | C03 | sing | 1.74Å | 1.78Å | |
| C30 | C25 | sing | 1.38Å | 1.53Å | Aromatic |
| O48 | C45 | sing | 1.43Å | 1.45Å | |
| C28 | C27 | doub | 1.39Å | 1.53Å | Aromatic |
| O17 | C02 | sing | 1.36Å | 1.42Å | |
| O17 | C24 | sing | 1.43Å | 1.41Å | |
| C03 | C02 | doub | 1.39Å | 1.52Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.52Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.53Å | Aromatic |
| C46 | C45 | sing | 1.53Å | 1.49Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | doub | 1.38Å | 1.52Å | Aromatic |
| C43 | N42 | sing | 1.47Å | 1.49Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C25 | C26 | doub | 1.38Å | 1.52Å | Aromatic |
| C45 | C44 | sing | 1.53Å | 1.50Å | |
| N42 | C47 | sing | 1.47Å | 1.50Å | |
| N42 | C41 | sing | 1.47Å | 1.45Å | |
| C01 | C06 | doub | 1.39Å | 1.53Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.53Å | Aromatic |
| C27 | C31 | sing | 1.48Å | 1.54Å | |
| C05 | C06 | sing | 1.39Å | 1.53Å | Aromatic |
| C05 | C15 | sing | 1.51Å | 1.55Å | |
| C52 | C08 | sing | 1.51Å | 1.53Å | |
| C52 | O07 | sing | 1.43Å | 1.40Å | |
| C06 | O07 | sing | 1.36Å | 1.40Å | |
| C15 | N16 | sing | 1.47Å | 1.46Å | |
| C37 | C31 | doub | 1.39Å | 1.53Å | Aromatic |
| C37 | C36 | sing | 1.39Å | 1.53Å | Aromatic |
| C26 | F32 | sing | 1.35Å | 1.37Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C40 | C39 | sing | 1.53Å | 1.55Å | |
| O22 | C21 | doub | 1.21Å | 1.26Å | |
| C09 | C08 | doub | 1.36Å | 1.51Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.56Å | Aromatic |
| O38 | C36 | sing | 1.36Å | 1.41Å | |
| O38 | C39 | sing | 1.43Å | 1.41Å | |
| C31 | C33 | sing | 1.39Å | 1.53Å | Aromatic |
| C08 | C13 | sing | 1.40Å | 1.49Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.53Å | Aromatic |
| N16 | C18 | sing | 1.47Å | 1.47Å | |
| C21 | O23 | sing | 1.34Å | 1.26Å | |
| C21 | C18 | sing | 1.51Å | 1.53Å | |
| C10 | N50 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.51Å | Aromatic |
| N50 | O51 | sing | 1.21Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.56Å | Aromatic |
| C11 | N49 | doub | 1.31Å | 1.33Å | Aromatic |
| O51 | N49 | sing | 1.21Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.53Å | Aromatic |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| N16 | H1 | sing | 1.01Å | 1.00Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| O23 | H3 | sing | 0.97Å | 0.95Å | |
| O48 | H481 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 119.7° | 120.2° |
| C29 | C30 | C25 | 119.9° | 120.2° |
| C30 | C29 | H291 | 120.1° | 119.9° |
| C29 | C30 | H301 | 120.1° | 119.9° |
| C29 | C28 | C27 | 119.5° | 119.9° |
| C29 | C28 | H281 | 120.3° | 120.0° |
| C28 | C29 | H291 | 120.1° | 119.9° |
| CL14 | C03 | C02 | 120.7° | 120.0° |
| CL14 | C03 | C04 | 119.1° | 120.0° |
| C30 | C25 | C24 | 120.3° | 119.9° |
| C30 | C25 | C26 | 120.8° | 120.1° |
| C25 | C30 | H301 | 120.1° | 119.9° |
| O48 | C45 | C46 | 108.5° | 109.5° |
| O48 | C45 | C44 | 109.1° | 109.5° |
| O48 | C45 | H451 | 109.1° | 109.5° |
| C45 | O48 | H481 | 109.5° | 114.0° |
| C28 | C27 | C26 | 121.0° | 119.8° |
| C28 | C27 | C31 | 119.7° | 120.1° |
| C27 | C28 | H281 | 120.2° | 120.1° |
| C02 | O17 | C24 | 112.9° | 117.0° |
| O17 | C02 | C03 | 119.5° | 120.0° |
| O17 | C02 | C01 | 120.2° | 120.0° |
| O17 | C24 | C25 | 105.1° | 109.4° |
| O17 | C24 | H242 | 110.5° | 109.5° |
| O17 | C24 | H241 | 110.5° | 109.5° |
| C02 | C03 | C04 | 120.2° | 120.0° |
| C03 | C02 | C01 | 120.3° | 119.9° |
| C03 | C04 | C05 | 120.2° | 120.1° |
| C03 | C04 | H041 | 119.9° | 119.9° |
| C02 | C01 | C06 | 119.2° | 119.9° |
| C02 | C01 | H011 | 120.4° | 120.0° |
| C45 | C46 | C47 | 112.7° | 109.2° |
| C46 | C45 | C44 | 113.3° | 109.1° |
| C46 | C45 | H451 | 108.5° | 109.5° |
| C45 | C46 | H462 | 108.6° | 109.5° |
| C45 | C46 | H461 | 108.7° | 109.5° |
| C46 | C47 | N42 | 113.6° | 109.5° |
| C47 | C46 | H462 | 108.7° | 109.5° |
| C47 | C46 | H461 | 108.7° | 109.5° |
| C46 | C47 | H472 | 108.4° | 109.4° |
| C46 | C47 | H471 | 108.4° | 109.5° |
| C04 | C05 | C06 | 119.5° | 120.1° |
| C04 | C05 | C15 | 117.6° | 119.9° |
| C05 | C04 | H041 | 119.9° | 120.0° |
| N42 | C43 | C44 | 111.7° | 109.5° |
| C43 | N42 | C47 | 113.6° | 111.1° |
| C43 | N42 | C41 | 109.0° | 111.0° |
| N42 | C43 | H431 | 108.9° | 109.5° |
| N42 | C43 | H432 | 108.9° | 109.4° |
| C43 | C44 | C45 | 112.9° | 109.3° |
| C44 | C43 | H431 | 108.9° | 109.5° |
| C44 | C43 | H432 | 108.9° | 109.5° |
| C43 | C44 | H441 | 108.6° | 109.5° |
| C43 | C44 | H442 | 108.6° | 109.5° |
| C24 | C25 | C26 | 118.9° | 119.9° |
| C25 | C24 | H242 | 110.5° | 109.5° |
| C25 | C24 | H241 | 110.5° | 109.5° |
| C25 | C26 | C27 | 119.1° | 119.8° |
| C25 | C26 | F32 | 119.4° | 120.1° |
| C45 | C44 | H441 | 108.6° | 109.5° |
| C45 | C44 | H442 | 108.6° | 109.5° |
| C44 | C45 | H451 | 108.4° | 109.5° |
| C47 | N42 | C41 | 109.9° | 111.0° |
| N42 | C47 | H472 | 108.4° | 109.5° |
| N42 | C47 | H471 | 108.5° | 109.5° |
| N42 | C41 | C40 | 109.0° | 109.5° |
| N42 | C41 | H411 | 109.6° | 109.4° |
| N42 | C41 | H412 | 109.6° | 109.5° |
| C01 | C06 | C05 | 120.6° | 120.0° |
| C01 | C06 | O07 | 119.9° | 120.0° |
| C06 | C01 | H011 | 120.4° | 120.1° |
| C26 | C27 | C31 | 119.3° | 120.1° |
| C27 | C26 | F32 | 121.6° | 120.1° |
| C27 | C31 | C37 | 120.9° | 120.1° |
| C27 | C31 | C33 | 118.1° | 120.1° |
| C06 | C05 | C15 | 122.8° | 120.0° |
| C05 | C06 | O07 | 119.5° | 120.0° |
| C05 | C15 | N16 | 114.2° | 109.5° |
| C05 | C15 | H152 | 108.3° | 109.5° |
| C05 | C15 | H151 | 108.3° | 109.4° |
| C08 | C52 | O07 | 105.5° | 109.5° |
| C52 | C08 | C09 | 121.3° | 119.0° |
| C52 | C08 | C13 | 118.5° | 119.0° |
| C08 | C52 | H521 | 110.4° | 109.5° |
| C08 | C52 | H522 | 110.5° | 109.5° |
| C52 | O07 | C06 | 114.0° | 117.0° |
| O07 | C52 | H521 | 110.5° | 109.5° |
| O07 | C52 | H522 | 110.5° | 109.5° |
| C15 | N16 | C18 | 109.1° | 111.0° |
| N16 | C15 | H152 | 108.3° | 109.5° |
| N16 | C15 | H151 | 108.2° | 109.5° |
| C15 | N16 | H1 | 109.6° | 111.0° |
| C31 | C37 | C36 | 118.9° | 119.8° |
| C37 | C31 | C33 | 121.0° | 119.8° |
| C31 | C37 | H371 | 120.5° | 120.1° |
| C37 | C36 | O38 | 119.8° | 120.0° |
| C37 | C36 | C35 | 120.5° | 120.0° |
| C36 | C37 | H371 | 120.5° | 120.1° |
| C41 | C40 | C39 | 109.2° | 109.5° |
| C41 | C40 | H401 | 109.6° | 109.4° |
| C41 | C40 | H402 | 109.5° | 109.5° |
| C40 | C41 | H411 | 109.6° | 109.5° |
| C40 | C41 | H412 | 109.6° | 109.5° |
| C40 | C39 | O38 | 105.3° | 109.5° |
| C40 | C39 | H391 | 110.5° | 109.5° |
| C40 | C39 | H392 | 110.5° | 109.4° |
| C39 | C40 | H401 | 109.6° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| O22 | C21 | O23 | 120.0° | 120.0° |
| O22 | C21 | C18 | 120.1° | 120.0° |
| C08 | C09 | C10 | 119.5° | 119.4° |
| C09 | C08 | C13 | 120.2° | 121.9° |
| C08 | C09 | H091 | 120.2° | 120.3° |
| C09 | C10 | N50 | 131.6° | 138.6° |
| C09 | C10 | C11 | 120.4° | 118.7° |
| C10 | C09 | H091 | 120.2° | 120.3° |
| C36 | O38 | C39 | 115.6° | 117.0° |
| O38 | C36 | C35 | 119.7° | 120.0° |
| O38 | C39 | H391 | 110.5° | 109.5° |
| O38 | C39 | H392 | 110.5° | 109.5° |
| C31 | C33 | C34 | 119.9° | 120.0° |
| C31 | C33 | H331 | 120.0° | 120.0° |
| C08 | C13 | C12 | 119.5° | 122.0° |
| C08 | C13 | H131 | 120.2° | 119.0° |
| C36 | C35 | C34 | 120.3° | 120.2° |
| C36 | C35 | H351 | 119.8° | 119.9° |
| N16 | C18 | C21 | 114.1° | 109.4° |
| N16 | C18 | C19 | 105.8° | 109.5° |
| N16 | C18 | H181 | 109.5° | 109.5° |
| C18 | N16 | H1 | 109.5° | 111.0° |
| O23 | C21 | C18 | 119.8° | 120.0° |
| C21 | O23 | H3 | 109.5° | 117.0° |
| C21 | C18 | C19 | 109.7° | 109.5° |
| C21 | C18 | H181 | 108.8° | 109.4° |
| N50 | C10 | C11 | 108.0° | 102.8° |
| C10 | N50 | O51 | 107.9° | 109.1° |
| C10 | C11 | C12 | 120.5° | 118.7° |
| C10 | C11 | N49 | 107.9° | 102.8° |
| C13 | C12 | C11 | 119.8° | 119.4° |
| C12 | C13 | H131 | 120.3° | 119.0° |
| C13 | C12 | H121 | 120.1° | 120.3° |
| N50 | O51 | N49 | 108.1° | 116.3° |
| C18 | C19 | O20 | 110.8° | 109.5° |
| C19 | C18 | H181 | 108.7° | 109.5° |
| C18 | C19 | H191 | 109.2° | 109.5° |
| C18 | C19 | H192 | 109.1° | 109.5° |
| C33 | C34 | C35 | 119.5° | 120.2° |
| C34 | C33 | H331 | 120.1° | 120.0° |
| C33 | C34 | H341 | 120.3° | 120.0° |
| C12 | C11 | N49 | 131.5° | 138.6° |
| C11 | C12 | H121 | 120.1° | 120.3° |
| C11 | N49 | O51 | 108.0° | 109.1° |
| C35 | C34 | H341 | 120.3° | 119.9° |
| C34 | C35 | H351 | 119.9° | 119.9° |
| O20 | C19 | H191 | 109.1° | 109.4° |
| O20 | C19 | H192 | 109.1° | 109.4° |
| C19 | O20 | H201 | 109.5° | 114.1° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.4° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H521 | C52 | H522 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H291 | 180.0° | 179.7° |
| C29 | C30 | C25 | H301 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 0.2° | 0.3° |
| C29 | C30 | C25 | C24 | 180.0° | 179.9° |
| C29 | C30 | C25 | C26 | 0.0° | 0.0° |
| C30 | C29 | C28 | H281 | 179.8° | 179.7° |
| C28 | C29 | C30 | C25 | 0.0° | 0.2° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.5° | 0.0° |
| C29 | C28 | C27 | C31 | 179.3° | 180.0° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| CL14 | C03 | C02 | O17 | 0.1° | 0.0° |
| CL14 | C03 | C02 | C04 | 179.9° | 180.0° |
| CL14 | C03 | C02 | C01 | 179.8° | 179.9° |
| CL14 | C03 | C04 | C05 | 179.9° | 180.0° |
| CL14 | C03 | C04 | H041 | 0.1° | 0.0° |
| C30 | C25 | C24 | O17 | 1.0° | 0.1° |
| C30 | C25 | C24 | C26 | 180.0° | 179.9° |
| C30 | C25 | C26 | C27 | 0.3° | 0.3° |
| C30 | C25 | C26 | F32 | 180.0° | 180.0° |
| C30 | C25 | C24 | H242 | 120.3° | 119.9° |
| C30 | C25 | C24 | H241 | 118.3° | 120.1° |
| C25 | C30 | C29 | H291 | 180.0° | 180.0° |
| O48 | C45 | C46 | C44 | 121.2° | 119.9° |
| O48 | C45 | C46 | H451 | 118.3° | 120.2° |
| O48 | C45 | C46 | C47 | 150.0° | 177.6° |
| O48 | C45 | C44 | C43 | 93.7° | 177.6° |
| O48 | C45 | C44 | H451 | 118.6° | 120.2° |
| O48 | C45 | C44 | H441 | 26.8° | 57.6° |
| O48 | C45 | C44 | H442 | 145.8° | 62.5° |
| O48 | C45 | C46 | H462 | 29.5° | 57.6° |
| O48 | C45 | C46 | H461 | 89.5° | 62.5° |
| C28 | C27 | C26 | C25 | 0.5° | 0.2° |
| C28 | C27 | C26 | C31 | 178.9° | 179.9° |
| C28 | C27 | C31 | C37 | 43.3° | 50.3° |
| C28 | C27 | C26 | F32 | 179.8° | 180.0° |
| C28 | C27 | C31 | C33 | 135.6° | 130.0° |
| C27 | C28 | C29 | H291 | 179.8° | 180.0° |
| O17 | C02 | C03 | C01 | 179.9° | 179.9° |
| O17 | C02 | C03 | C04 | 180.0° | 179.9° |
| C02 | O17 | C24 | C25 | 160.9° | 180.0° |
| O17 | C02 | C01 | C06 | 179.8° | 179.9° |
| C02 | O17 | C24 | H242 | 79.8° | 60.0° |
| C02 | O17 | C24 | H241 | 41.6° | 60.0° |
| O17 | C02 | C01 | H011 | 0.1° | 0.3° |
| C24 | O17 | C02 | C03 | 127.8° | 180.0° |
| C24 | O17 | C02 | C01 | 52.1° | 0.1° |
| O17 | C24 | C25 | H242 | 119.3° | 120.1° |
| O17 | C24 | C25 | H241 | 119.3° | 120.0° |
| O17 | C24 | C25 | C26 | 179.0° | 180.0° |
| O17 | C24 | H242 | H241 | 122.0° | 120.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C06 | 0.3° | 0.0° |
| C03 | C02 | C01 | H011 | 179.8° | 179.7° |
| C02 | C03 | C04 | H041 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | C15 | 179.6° | 180.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.3° | 0.0° |
| C02 | C01 | C06 | O07 | 180.0° | 179.7° |
| C45 | C46 | C47 | H462 | 120.5° | 120.0° |
| C45 | C46 | C47 | H461 | 120.5° | 119.9° |
| C46 | C45 | C44 | C43 | 27.2° | 57.7° |
| C46 | C45 | C44 | H451 | 120.5° | 119.9° |
| C45 | C46 | C47 | N42 | 56.5° | 59.2° |
| C46 | C45 | C44 | H441 | 147.7° | 62.3° |
| C46 | C45 | C44 | H442 | 93.3° | 177.6° |
| C45 | C46 | H462 | H461 | 118.5° | 120.1° |
| C45 | C46 | C47 | H472 | 177.1° | 179.2° |
| C45 | C46 | C47 | H471 | 64.2° | 60.9° |
| C46 | C45 | O48 | H481 | 180.0° | 60.3° |
| C46 | C47 | N42 | C43 | 23.0° | 61.8° |
| C47 | C46 | C45 | C44 | 28.8° | 57.7° |
| C46 | C47 | N42 | H472 | 120.6° | 120.0° |
| C46 | C47 | N42 | H471 | 120.6° | 120.1° |
| C46 | C47 | N42 | C41 | 145.5° | 174.2° |
| C47 | C46 | C45 | H451 | 91.7° | 62.2° |
| C47 | C46 | H462 | H461 | 118.5° | 120.1° |
| C46 | C47 | H472 | H471 | 118.1° | 120.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.1° |
| C04 | C05 | C06 | C15 | 179.6° | 179.9° |
| C04 | C05 | C06 | O07 | 179.8° | 179.7° |
| C04 | C05 | C15 | N16 | 159.9° | 100.0° |
| C04 | C05 | C15 | H152 | 79.4° | 20.0° |
| C04 | C05 | C15 | H151 | 39.2° | 140.0° |
| N42 | C43 | C44 | H431 | 120.3° | 120.0° |
| N42 | C43 | C44 | H432 | 120.3° | 120.0° |
| N42 | C43 | C44 | C45 | 60.7° | 59.3° |
| C43 | N42 | C47 | C41 | 122.5° | 124.1° |
| C43 | N42 | C41 | C40 | 79.2° | 170.0° |
| C43 | N42 | C41 | H411 | 160.9° | 50.0° |
| C43 | N42 | C41 | H412 | 40.7° | 69.9° |
| N42 | C43 | H431 | H432 | 119.0° | 119.9° |
| N42 | C43 | C44 | H441 | 178.8° | 60.7° |
| N42 | C43 | C44 | H442 | 59.8° | 179.2° |
| C43 | N42 | C47 | H472 | 143.6° | 178.3° |
| C43 | N42 | C47 | H471 | 97.6° | 58.3° |
| C43 | C44 | C45 | H441 | 120.5° | 120.0° |
| C43 | C44 | C45 | H442 | 120.5° | 119.9° |
| C44 | C43 | N42 | C47 | 32.8° | 61.8° |
| C44 | C43 | N42 | C41 | 90.2° | 174.2° |
| C44 | C43 | H431 | H432 | 119.0° | 120.0° |
| C43 | C44 | H441 | H442 | 118.4° | 120.1° |
| C43 | C44 | C45 | H451 | 147.7° | 62.2° |
| C24 | C25 | C26 | C27 | 179.7° | 179.8° |
| C24 | C25 | C26 | F32 | 0.0° | 0.1° |
| C25 | C24 | H242 | H241 | 122.0° | 120.0° |
| C24 | C25 | C30 | H301 | 0.0° | 0.1° |
| C25 | C26 | C27 | F32 | 179.7° | 179.8° |
| C25 | C26 | C27 | C31 | 179.4° | 179.7° |
| C26 | C25 | C24 | H242 | 59.7° | 60.0° |
| C26 | C25 | C24 | H241 | 61.7° | 60.0° |
| C26 | C25 | C30 | H301 | 180.0° | 179.8° |
| C45 | C44 | C43 | H431 | 59.6° | 60.8° |
| C45 | C44 | C43 | H432 | 179.0° | 179.2° |
| C45 | C44 | H441 | H442 | 118.5° | 120.1° |
| C44 | C45 | C46 | H462 | 91.7° | 62.3° |
| C44 | C45 | C46 | H461 | 149.3° | 177.6° |
| C44 | C45 | O48 | H481 | 56.2° | 180.0° |
| C47 | N42 | C41 | C40 | 155.7° | 65.8° |
| C47 | N42 | C41 | H411 | 35.8° | 174.2° |
| C47 | N42 | C41 | H412 | 84.4° | 54.3° |
| C47 | N42 | C43 | H431 | 87.5° | 58.3° |
| C47 | N42 | C43 | H432 | 153.1° | 178.2° |
| N42 | C47 | C46 | H462 | 64.0° | 60.8° |
| N42 | C47 | C46 | H461 | 177.0° | 179.1° |
| N42 | C47 | H472 | H471 | 118.1° | 120.0° |
| N42 | C41 | C40 | H411 | 119.9° | 119.9° |
| N42 | C41 | C40 | H412 | 119.9° | 120.1° |
| N42 | C41 | C40 | C39 | 150.8° | 180.0° |
| N42 | C41 | C40 | H401 | 89.2° | 60.0° |
| N42 | C41 | C40 | H402 | 30.9° | 60.0° |
| N42 | C41 | H411 | H412 | 120.2° | 120.0° |
| C41 | N42 | C43 | H431 | 149.5° | 65.8° |
| C41 | N42 | C43 | H432 | 30.2° | 54.2° |
| C41 | N42 | C47 | H472 | 93.9° | 54.2° |
| C41 | N42 | C47 | H471 | 24.9° | 65.8° |
| C01 | C06 | C05 | O07 | 179.7° | 179.7° |
| C01 | C06 | C05 | C15 | 179.7° | 180.0° |
| C01 | C06 | O07 | C52 | 84.8° | 0.0° |
| C26 | C27 | C31 | C37 | 137.9° | 129.7° |
| C26 | C27 | C31 | C33 | 43.3° | 49.9° |
| C26 | C27 | C28 | H281 | 179.5° | 179.9° |
| C27 | C31 | C37 | C33 | 178.8° | 179.7° |
| C27 | C31 | C37 | C36 | 179.6° | 179.7° |
| C31 | C27 | C26 | F32 | 0.9° | 0.1° |
| C27 | C31 | C33 | C34 | 179.5° | 179.9° |
| C31 | C27 | C28 | H281 | 0.7° | 0.0° |
| C27 | C31 | C33 | H331 | 0.5° | 0.0° |
| C27 | C31 | C37 | H371 | 0.4° | 0.0° |
| C05 | C06 | O07 | C52 | 95.5° | 179.7° |
| C06 | C05 | C15 | N16 | 20.5° | 79.9° |
| C06 | C05 | C15 | H152 | 100.2° | 160.1° |
| C06 | C05 | C15 | H151 | 141.2° | 40.1° |
| C05 | C06 | C01 | H011 | 179.8° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 180.0° |
| C15 | C05 | C06 | O07 | 0.6° | 0.3° |
| C05 | C15 | N16 | H152 | 120.7° | 120.0° |
| C05 | C15 | N16 | H151 | 120.7° | 120.0° |
| C05 | C15 | N16 | C18 | 140.1° | 180.0° |
| C05 | C15 | H152 | H151 | 117.9° | 120.0° |
| C15 | C05 | C04 | H041 | 0.4° | 0.0° |
| C05 | C15 | N16 | H1 | 20.2° | 56.0° |
| C08 | C52 | O07 | H521 | 119.4° | 120.0° |
| C08 | C52 | O07 | H522 | 119.4° | 120.0° |
| C08 | C52 | O07 | C06 | 148.9° | 180.0° |
| C52 | C08 | C09 | C13 | 178.8° | 179.9° |
| C52 | C08 | C09 | C10 | 179.4° | 179.7° |
| C52 | C08 | C13 | C12 | 179.3° | 180.0° |
| C52 | C08 | C13 | H131 | 0.7° | 0.2° |
| C52 | C08 | C09 | H091 | 0.6° | 0.3° |
| C08 | C52 | H521 | H522 | 121.8° | 120.0° |
| O07 | C52 | C08 | C09 | 138.9° | 90.1° |
| O07 | C52 | C08 | C13 | 39.9° | 90.0° |
| O07 | C52 | H521 | H522 | 121.8° | 120.0° |
| O07 | C06 | C01 | H011 | 0.1° | 0.0° |
| C06 | O07 | C52 | H521 | 91.7° | 60.0° |
| C06 | O07 | C52 | H522 | 29.5° | 60.0° |
| C15 | N16 | C18 | H1 | 119.9° | 123.9° |
| C15 | N16 | C18 | C21 | 32.6° | 155.0° |
| C15 | N16 | C18 | C19 | 88.2° | 85.0° |
| N16 | C15 | H152 | H151 | 117.8° | 120.0° |
| C15 | N16 | C18 | H181 | 154.8° | 35.0° |
| C31 | C37 | C36 | H371 | 180.0° | 179.7° |
| C31 | C37 | C36 | O38 | 179.6° | 179.7° |
| C31 | C37 | C36 | C35 | 0.7° | 0.6° |
| C37 | C31 | C33 | C34 | 0.6° | 0.3° |
| C37 | C31 | C33 | H331 | 179.3° | 179.7° |
| C37 | C36 | O38 | C35 | 178.9° | 179.7° |
| C37 | C36 | O38 | C39 | 132.8° | 179.7° |
| C36 | C37 | C31 | C33 | 0.8° | 0.6° |
| C37 | C36 | C35 | C34 | 0.5° | 0.3° |
| C37 | C36 | C35 | H351 | 179.5° | 179.7° |
| C41 | C40 | C39 | H401 | 120.0° | 119.9° |
| C41 | C40 | C39 | H402 | 119.9° | 120.1° |
| C41 | C40 | C39 | O38 | 136.9° | 180.0° |
| C41 | C40 | C39 | H391 | 17.5° | 59.9° |
| C41 | C40 | C39 | H392 | 103.8° | 60.0° |
| C41 | C40 | H401 | H402 | 120.1° | 120.0° |
| C40 | C41 | H411 | H412 | 120.2° | 120.0° |
| C40 | C39 | O38 | C36 | 133.3° | 180.0° |
| C40 | C39 | O38 | H391 | 119.3° | 120.1° |
| C40 | C39 | O38 | H392 | 119.3° | 119.9° |
| C40 | C39 | H391 | H392 | 122.0° | 119.9° |
| C39 | C40 | H401 | H402 | 120.1° | 120.0° |
| C39 | C40 | C41 | H411 | 30.9° | 60.1° |
| C39 | C40 | C41 | H412 | 89.3° | 59.9° |
| O22 | C21 | C18 | N16 | 76.4° | 0.0° |
| O22 | C21 | O23 | C18 | 179.1° | 180.0° |
| O22 | C21 | C18 | C19 | 165.0° | 120.0° |
| O22 | C21 | C18 | H181 | 46.2° | 120.0° |
| O22 | C21 | O23 | H3 | 0.0° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | N50 | 179.6° | 179.9° |
| C08 | C09 | C10 | C11 | 0.3° | 0.4° |
| C09 | C08 | C13 | C12 | 0.4° | 0.1° |
| C09 | C08 | C13 | H131 | 179.6° | 179.9° |
| C09 | C08 | C52 | H521 | 19.5° | 29.9° |
| C09 | C08 | C52 | H522 | 101.7° | 149.9° |
| C10 | C09 | C08 | C13 | 0.6° | 0.2° |
| C09 | C10 | N50 | C11 | 180.0° | 179.6° |
| C09 | C10 | N50 | O51 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | N49 | 180.0° | 179.7° |
| O38 | C36 | C35 | C34 | 179.4° | 180.0° |
| O38 | C36 | C35 | H351 | 0.6° | 0.0° |
| O38 | C36 | C37 | H371 | 0.5° | 0.0° |
| C36 | O38 | C39 | H391 | 107.3° | 59.9° |
| C36 | O38 | C39 | H392 | 14.0° | 60.1° |
| C39 | O38 | C36 | C35 | 48.2° | 0.0° |
| O38 | C39 | H391 | H392 | 121.9° | 120.0° |
| O38 | C39 | C40 | H401 | 103.2° | 60.1° |
| O38 | C39 | C40 | H402 | 16.9° | 60.0° |
| C31 | C33 | C34 | H331 | 180.0° | 180.0° |
| C31 | C33 | C34 | C35 | 0.4° | 0.0° |
| C31 | C33 | C34 | H341 | 179.5° | 180.0° |
| C33 | C31 | C37 | H371 | 179.3° | 179.7° |
| C08 | C13 | C12 | H131 | 180.0° | 179.8° |
| C08 | C13 | C12 | C11 | 0.0° | 0.1° |
| C13 | C08 | C09 | H091 | 179.4° | 179.9° |
| C08 | C13 | C12 | H121 | 180.0° | 179.9° |
| C13 | C08 | C52 | H521 | 159.3° | 150.0° |
| C13 | C08 | C52 | H522 | 79.5° | 30.0° |
| C36 | C35 | C34 | C33 | 0.4° | 0.0° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | H341 | 179.6° | 179.9° |
| C35 | C36 | C37 | H371 | 179.4° | 179.7° |
| N16 | C18 | C21 | O23 | 102.7° | 180.0° |
| N16 | C18 | C21 | C19 | 118.5° | 120.0° |
| N16 | C18 | C21 | H181 | 122.7° | 120.0° |
| N16 | C18 | C19 | H181 | 117.5° | 120.0° |
| N16 | C18 | C19 | O20 | 178.4° | 65.0° |
| C18 | N16 | C15 | H152 | 99.2° | 60.0° |
| C18 | N16 | C15 | H151 | 19.4° | 60.0° |
| N16 | C18 | C19 | H191 | 61.4° | 55.0° |
| N16 | C18 | C19 | H192 | 58.2° | 175.0° |
| O23 | C21 | C18 | C19 | 15.8° | 60.0° |
| O23 | C21 | C18 | H181 | 134.6° | 60.0° |
| C21 | C18 | C19 | H181 | 118.9° | 120.0° |
| C21 | C18 | C19 | O20 | 58.1° | 55.0° |
| C21 | C18 | C19 | H191 | 62.2° | 175.0° |
| C21 | C18 | C19 | H192 | 178.2° | 65.0° |
| C21 | C18 | N16 | H1 | 152.5° | 31.1° |
| C18 | C21 | O23 | H3 | 179.2° | 180.0° |
| N50 | C10 | C11 | C12 | 179.9° | 180.0° |
| N50 | C10 | C11 | N49 | 0.0° | 0.0° |
| C10 | N50 | O51 | N49 | 0.1° | 0.1° |
| N50 | C10 | C09 | H091 | 0.4° | 0.1° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C10 | N50 | O51 | 0.1° | 0.1° |
| C10 | C11 | C12 | N49 | 179.9° | 179.9° |
| C10 | C11 | N49 | O51 | 0.1° | 0.0° |
| C11 | C10 | C09 | H091 | 179.7° | 179.7° |
| C10 | C11 | C12 | H121 | 179.7° | 179.8° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | N49 | 179.8° | 180.0° |
| N50 | O51 | N49 | C11 | 0.1° | 0.1° |
| C18 | C19 | O20 | H191 | 120.2° | 120.0° |
| C18 | C19 | O20 | H192 | 120.2° | 120.0° |
| C18 | C19 | H191 | H192 | 119.4° | 120.0° |
| C19 | C18 | N16 | H1 | 31.8° | 151.1° |
| C18 | C19 | O20 | H201 | 180.0° | 179.9° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | H351 | 179.6° | 180.0° |
| C12 | C11 | N49 | O51 | 179.8° | 179.9° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| N49 | C11 | C12 | H121 | 0.2° | 0.1° |
| C35 | C34 | C33 | H331 | 179.6° | 180.0° |
| O20 | C19 | C18 | H181 | 60.8° | 175.0° |
| O20 | C19 | H191 | H192 | 119.4° | 119.9° |
| H131 | C13 | C12 | H121 | 0.0° | 0.1° |
| H152 | C15 | N16 | H1 | 140.9° | 176.1° |
| H151 | C15 | N16 | H1 | 100.5° | 63.9° |
| H281 | C28 | C29 | H291 | 0.2° | 0.0° |
| H181 | C18 | C19 | H191 | 178.9° | 65.0° |
| H181 | C18 | C19 | H192 | 59.3° | 55.0° |
| H181 | C18 | N16 | H1 | 85.2° | 88.9° |
| H191 | C19 | O20 | H201 | 59.8° | 59.9° |
| H192 | C19 | O20 | H201 | 59.8° | 60.0° |
| H291 | C29 | C30 | H301 | 0.0° | 0.2° |
| H331 | C33 | C34 | H341 | 0.5° | 0.1° |
| H341 | C34 | C35 | H351 | 0.4° | 0.0° |
| H391 | C39 | C40 | H401 | 137.5° | 60.0° |
| H391 | C39 | C40 | H402 | 102.4° | 180.0° |
| H392 | C39 | C40 | H401 | 16.2° | 180.0° |
| H392 | C39 | C40 | H402 | 136.3° | 60.0° |
| H401 | C40 | C41 | H411 | 150.9° | 180.0° |
| H401 | C40 | C41 | H412 | 30.7° | 60.0° |
| H402 | C40 | C41 | H411 | 89.1° | 60.0° |
| H402 | C40 | C41 | H412 | 150.8° | 179.9° |
| H431 | C43 | C44 | H441 | 60.9° | 179.2° |
| H431 | C43 | C44 | H442 | 179.8° | 59.1° |
| H432 | C43 | C44 | H441 | 58.5° | 59.2° |
| H432 | C43 | C44 | H442 | 60.5° | 60.9° |
| H441 | C44 | C45 | H451 | 91.8° | 177.8° |
| H442 | C44 | C45 | H451 | 27.2° | 57.7° |
| H451 | C45 | C46 | H462 | 147.8° | 177.8° |
| H451 | C45 | C46 | H461 | 28.8° | 57.7° |
| H451 | C45 | O48 | H481 | 62.0° | 59.9° |
| H462 | C46 | C47 | H472 | 56.6° | 59.3° |
| H462 | C46 | C47 | H471 | 175.3° | 179.2° |
| H461 | C46 | C47 | H472 | 62.4° | 60.9° |
| H461 | C46 | C47 | H471 | 56.3° | 59.1° |
