A1IZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.48Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.46Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.42Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.46Å | Aromatic |
| C08 | N09 | sing | 1.34Å | 1.41Å | Aromatic |
| N07 | N09 | sing | 1.29Å | 1.36Å | Aromatic |
| N07 | C06 | doub | 1.32Å | 1.37Å | Aromatic |
| C05 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
| N09 | C10 | sing | 1.47Å | 1.55Å | |
| C03 | O11 | sing | 1.36Å | 1.39Å | |
| C02 | C12 | sing | 1.47Å | 1.52Å | |
| O11 | C13 | sing | 1.36Å | 1.35Å | |
| C12 | N14 | sing | 1.35Å | 1.41Å | |
| C12 | O15 | doub | 1.22Å | 1.22Å | |
| N14 | C16 | sing | 1.47Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.39Å | |
| C20 | F24 | sing | 1.35Å | 1.34Å | |
| C10 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C26 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | C28 | sing | 1.53Å | 1.52Å | |
| C17 | N31 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.47Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C32 | C36 | sing | 1.53Å | 1.57Å | |
| C35 | N31 | sing | 1.47Å | 1.49Å | |
| N31 | C36 | sing | 1.47Å | 1.52Å | |
| C34 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | O38 | sing | 1.43Å | 1.43Å | |
| O38 | C39 | sing | 1.43Å | 1.45Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | 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 | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 117.7° | 121.4° |
| C02 | C01 | C06 | 123.5° | 119.4° |
| C01 | C02 | C12 | 121.3° | 119.3° |
| C02 | C01 | H011 | 118.2° | 120.3° |
| C02 | C03 | C04 | 119.7° | 121.4° |
| C02 | C03 | O11 | 120.6° | 119.3° |
| C03 | C02 | C12 | 121.0° | 119.3° |
| C03 | C04 | C05 | 122.3° | 119.7° |
| C04 | C03 | O11 | 119.6° | 119.3° |
| C03 | C04 | H041 | 118.9° | 120.1° |
| C04 | C05 | C06 | 118.1° | 119.4° |
| C04 | C05 | C08 | 136.6° | 136.1° |
| C05 | C04 | H041 | 118.9° | 120.2° |
| C05 | C06 | C01 | 118.8° | 118.7° |
| C05 | C06 | N07 | 110.2° | 105.8° |
| C06 | C05 | C08 | 105.3° | 104.5° |
| C01 | C06 | N07 | 131.1° | 135.5° |
| C06 | C01 | H011 | 118.2° | 120.3° |
| C08 | N09 | N07 | 110.0° | 112.1° |
| N09 | C08 | C05 | 106.9° | 106.9° |
| C08 | N09 | C10 | 127.2° | 124.0° |
| N09 | C08 | H081 | 126.5° | 126.5° |
| N09 | N07 | C06 | 107.6° | 110.7° |
| N07 | N09 | C10 | 122.8° | 123.9° |
| C05 | C08 | H081 | 126.6° | 126.6° |
| N09 | C10 | C25 | 114.8° | 109.5° |
| N09 | C10 | H101 | 108.1° | 109.5° |
| N09 | C10 | H102 | 108.1° | 109.4° |
| C03 | O11 | C13 | 122.3° | 118.0° |
| C02 | C12 | N14 | 125.2° | 120.0° |
| C02 | C12 | O15 | 120.1° | 120.0° |
| O11 | C13 | C18 | 120.2° | 120.0° |
| O11 | C13 | C22 | 124.8° | 120.0° |
| N14 | C12 | O15 | 114.8° | 120.0° |
| C12 | N14 | C16 | 123.9° | 120.0° |
| C12 | N14 | H141 | 118.0° | 120.0° |
| N14 | C16 | C17 | 111.3° | 109.4° |
| N14 | C16 | H162 | 109.0° | 109.5° |
| N14 | C16 | H161 | 109.0° | 109.5° |
| C16 | N14 | H141 | 118.0° | 120.1° |
| C16 | C17 | N31 | 108.2° | 109.4° |
| C17 | C16 | H162 | 109.0° | 109.5° |
| C17 | C16 | H161 | 109.0° | 109.4° |
| C16 | C17 | H172 | 109.8° | 109.4° |
| C16 | C17 | H171 | 109.8° | 109.5° |
| C18 | C19 | C20 | 117.1° | 120.1° |
| C19 | C18 | C13 | 122.8° | 120.0° |
| C19 | C18 | H181 | 118.6° | 120.0° |
| C18 | C19 | H191 | 121.5° | 119.9° |
| C19 | C20 | C21 | 125.1° | 120.0° |
| C19 | C20 | F24 | 115.6° | 120.0° |
| C20 | C19 | H191 | 121.5° | 120.0° |
| C20 | C21 | C22 | 112.5° | 120.1° |
| C21 | C20 | F24 | 119.3° | 120.0° |
| C20 | C21 | H211 | 123.7° | 120.0° |
| C21 | C22 | C13 | 127.5° | 119.9° |
| C21 | C22 | F23 | 117.5° | 120.1° |
| C22 | C21 | H211 | 123.7° | 119.9° |
| C18 | C13 | C22 | 115.0° | 120.0° |
| C13 | C18 | H181 | 118.6° | 120.1° |
| C13 | C22 | F23 | 115.1° | 120.1° |
| C10 | C25 | C27 | 111.9° | 109.5° |
| C10 | C25 | C28 | 111.3° | 109.4° |
| C25 | C10 | H101 | 108.1° | 109.5° |
| C25 | C10 | H102 | 108.1° | 109.5° |
| C10 | C25 | H251 | 108.2° | 109.4° |
| C27 | C26 | C30 | 112.8° | 109.5° |
| C26 | C27 | C25 | 113.0° | 109.5° |
| C27 | C26 | H261 | 108.6° | 109.5° |
| C27 | C26 | H262 | 108.6° | 109.4° |
| C26 | C27 | H271 | 108.6° | 109.5° |
| C26 | C27 | H272 | 108.6° | 109.5° |
| C28 | C29 | C30 | 116.5° | 109.5° |
| C29 | C28 | C25 | 112.7° | 109.5° |
| C29 | C28 | H281 | 108.7° | 109.4° |
| C29 | C28 | H282 | 108.7° | 109.4° |
| C28 | C29 | H292 | 107.7° | 109.5° |
| C28 | C29 | H291 | 107.7° | 109.5° |
| C29 | C30 | C26 | 116.1° | 109.5° |
| C30 | C29 | H292 | 107.7° | 109.5° |
| C30 | C29 | H291 | 107.7° | 109.4° |
| C29 | C30 | H302 | 107.8° | 109.5° |
| C29 | C30 | H301 | 107.8° | 109.5° |
| C30 | C26 | H261 | 108.6° | 109.5° |
| C30 | C26 | H262 | 108.6° | 109.5° |
| C26 | C30 | H302 | 107.8° | 109.5° |
| C26 | C30 | H301 | 107.8° | 109.5° |
| C27 | C25 | C28 | 109.0° | 109.5° |
| C25 | C27 | H271 | 108.6° | 109.5° |
| C25 | C27 | H272 | 108.6° | 109.4° |
| C27 | C25 | H251 | 108.0° | 109.5° |
| C25 | C28 | H281 | 108.7° | 109.5° |
| C25 | C28 | H282 | 108.6° | 109.5° |
| C28 | C25 | H251 | 108.2° | 109.5° |
| C17 | N31 | C35 | 105.3° | 111.0° |
| C17 | N31 | C36 | 106.6° | 111.0° |
| N31 | C17 | H172 | 109.8° | 109.5° |
| N31 | C17 | H171 | 109.8° | 109.5° |
| C32 | C33 | C34 | 105.3° | 109.2° |
| C33 | C32 | C36 | 116.3° | 109.3° |
| C33 | C32 | H321 | 107.7° | 109.5° |
| C33 | C32 | H322 | 107.7° | 109.5° |
| C32 | C33 | H332 | 110.5° | 109.5° |
| C32 | C33 | H331 | 110.5° | 109.5° |
| C33 | C34 | C35 | 105.1° | 109.3° |
| C33 | C34 | C37 | 118.6° | 109.5° |
| C34 | C33 | H332 | 110.5° | 109.5° |
| C34 | C33 | H331 | 110.5° | 109.6° |
| C33 | C34 | H341 | 106.1° | 109.5° |
| C34 | C35 | N31 | 99.4° | 109.5° |
| C35 | C34 | C37 | 114.8° | 109.5° |
| C35 | C34 | H341 | 105.7° | 109.5° |
| C34 | C35 | H351 | 111.9° | 109.5° |
| C34 | C35 | H352 | 111.9° | 109.5° |
| C32 | C36 | N31 | 115.8° | 109.5° |
| C36 | C32 | H321 | 107.7° | 109.5° |
| C36 | C32 | H322 | 107.7° | 109.5° |
| C32 | C36 | H361 | 107.9° | 109.5° |
| C32 | C36 | H362 | 107.8° | 109.4° |
| C35 | N31 | C36 | 116.6° | 111.2° |
| N31 | C35 | H351 | 111.9° | 109.5° |
| N31 | C35 | H352 | 111.9° | 109.4° |
| N31 | C36 | H361 | 107.8° | 109.5° |
| N31 | C36 | H362 | 107.9° | 109.4° |
| C34 | C37 | O38 | 103.2° | 109.5° |
| C37 | C34 | H341 | 105.6° | 109.5° |
| C34 | C37 | H372 | 111.0° | 109.5° |
| C34 | C37 | H371 | 111.0° | 109.5° |
| C37 | O38 | C39 | 118.2° | 114.0° |
| O38 | C37 | H372 | 111.0° | 109.5° |
| O38 | C37 | H371 | 111.0° | 109.4° |
| O38 | C39 | H393 | 109.5° | 109.5° |
| O38 | C39 | H391 | 109.5° | 109.5° |
| O38 | C39 | H392 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.6° |
| H332 | C33 | H331 | 109.5° | 109.6° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H393 | C39 | H391 | 109.4° | 109.5° |
| H393 | C39 | H392 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C12 | 179.4° | 179.9° |
| C01 | C02 | C03 | C04 | 0.2° | 0.1° |
| C02 | C01 | C06 | C05 | 0.3° | 0.1° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C02 | C01 | C06 | N07 | 179.3° | 180.0° |
| C01 | C02 | C03 | O11 | 177.5° | 180.0° |
| C01 | C02 | C12 | N14 | 163.2° | 0.1° |
| C01 | C02 | C12 | O15 | 16.2° | 180.0° |
| C02 | C03 | C04 | O11 | 177.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C06 | 0.3° | 0.1° |
| C02 | C03 | O11 | C13 | 129.0° | 174.7° |
| C03 | C02 | C12 | N14 | 16.2° | 180.0° |
| C03 | C02 | C12 | O15 | 164.5° | 0.1° |
| C03 | C02 | C01 | H011 | 179.7° | 179.7° |
| C02 | C03 | C04 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C03 | C04 | C05 | C08 | 179.7° | 180.0° |
| C04 | C03 | C02 | C12 | 179.6° | 180.0° |
| C04 | C03 | O11 | C13 | 53.3° | 5.3° |
| C04 | C05 | C06 | C08 | 179.8° | 179.9° |
| C04 | C05 | C06 | C01 | 0.1° | 0.0° |
| C04 | C05 | C08 | N09 | 179.8° | 180.0° |
| C04 | C05 | C06 | N07 | 179.6° | 180.0° |
| C05 | C04 | C03 | O11 | 177.7° | 179.9° |
| C04 | C05 | C08 | H081 | 0.2° | 0.0° |
| C05 | C06 | C01 | N07 | 179.6° | 180.0° |
| C06 | C05 | C08 | N09 | 0.1° | 0.0° |
| C05 | C06 | N07 | N09 | 1.0° | 0.0° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C06 | C05 | C08 | H081 | 179.9° | 180.0° |
| C01 | C06 | N07 | N09 | 179.4° | 180.0° |
| C01 | C06 | C05 | C08 | 179.7° | 180.0° |
| C06 | C01 | C02 | C12 | 179.7° | 180.0° |
| C08 | N09 | N07 | C10 | 179.1° | 179.9° |
| C08 | N09 | N07 | C06 | 0.9° | 0.1° |
| N09 | C08 | C05 | H081 | 180.0° | 180.0° |
| C08 | N09 | C10 | C25 | 102.0° | 125.0° |
| C08 | N09 | C10 | H101 | 18.8° | 114.9° |
| C08 | N09 | C10 | H102 | 137.2° | 5.0° |
| N07 | N09 | C08 | C05 | 0.5° | 0.1° |
| N07 | N09 | C10 | C25 | 76.9° | 55.1° |
| N07 | N09 | C08 | H081 | 179.5° | 180.0° |
| N07 | N09 | C10 | H101 | 162.3° | 65.0° |
| N07 | N09 | C10 | H102 | 43.9° | 175.1° |
| N07 | C06 | C05 | C08 | 0.6° | 0.0° |
| C06 | N07 | N09 | C10 | 180.0° | 180.0° |
| N07 | C06 | C01 | H011 | 0.7° | 0.2° |
| C05 | C08 | N09 | C10 | 179.6° | 180.0° |
| C08 | C05 | C04 | H041 | 0.3° | 0.0° |
| N09 | C10 | C25 | H101 | 120.8° | 120.1° |
| N09 | C10 | C25 | H102 | 120.8° | 119.9° |
| N09 | C10 | C25 | C27 | 56.3° | 174.9° |
| N09 | C10 | C25 | C28 | 66.0° | 65.0° |
| C10 | N09 | C08 | H081 | 0.5° | 0.0° |
| N09 | C10 | H101 | H102 | 117.6° | 119.9° |
| N09 | C10 | C25 | H251 | 175.2° | 54.9° |
| O11 | C03 | C02 | C12 | 1.9° | 0.1° |
| C03 | O11 | C13 | C18 | 105.1° | 94.4° |
| C03 | O11 | C13 | C22 | 73.8° | 85.2° |
| O11 | C03 | C04 | H041 | 2.2° | 0.0° |
| C02 | C12 | N14 | O15 | 179.4° | 179.9° |
| C02 | C12 | N14 | C16 | 179.2° | 180.0° |
| C12 | C02 | C01 | H011 | 0.3° | 0.2° |
| C02 | C12 | N14 | H141 | 0.8° | 0.1° |
| O11 | C13 | C18 | C19 | 178.8° | 179.7° |
| O11 | C13 | C22 | C21 | 179.1° | 179.7° |
| O11 | C13 | C18 | C22 | 179.0° | 179.6° |
| O11 | C13 | C22 | F23 | 0.9° | 0.3° |
| O11 | C13 | C18 | H181 | 1.2° | 0.4° |
| C12 | N14 | C16 | H141 | 180.0° | 179.9° |
| C12 | N14 | C16 | C17 | 97.5° | 180.0° |
| C12 | N14 | C16 | H162 | 22.8° | 59.9° |
| C12 | N14 | C16 | H161 | 142.3° | 60.1° |
| O15 | C12 | N14 | C16 | 0.2° | 0.1° |
| O15 | C12 | N14 | H141 | 179.8° | 180.0° |
| N14 | C16 | C17 | H162 | 120.3° | 120.1° |
| N14 | C16 | C17 | H161 | 120.3° | 119.9° |
| N14 | C16 | C17 | N31 | 58.3° | 180.0° |
| N14 | C16 | H162 | H161 | 119.2° | 120.0° |
| N14 | C16 | C17 | H172 | 178.1° | 60.1° |
| N14 | C16 | C17 | H171 | 61.5° | 59.9° |
| C16 | C17 | N31 | H172 | 119.8° | 119.9° |
| C16 | C17 | N31 | H171 | 119.8° | 120.0° |
| C16 | C17 | N31 | C35 | 155.2° | 170.0° |
| C16 | C17 | N31 | C36 | 80.3° | 65.8° |
| C17 | C16 | H162 | H161 | 119.1° | 120.0° |
| C16 | C17 | H172 | H171 | 120.6° | 120.0° |
| C17 | C16 | N14 | H141 | 82.5° | 0.1° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C13 | H181 | 180.0° | 179.9° |
| C19 | C18 | C13 | C22 | 0.2° | 0.1° |
| C18 | C19 | C20 | F24 | 179.7° | 180.0° |
| C19 | C20 | C21 | F24 | 179.6° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C20 | C19 | C18 | C13 | 0.6° | 0.0° |
| C20 | C19 | C18 | H181 | 179.4° | 180.0° |
| C19 | C20 | C21 | H211 | 179.6° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C13 | 0.0° | 0.0° |
| C20 | C21 | C22 | F23 | 179.9° | 180.0° |
| C21 | C20 | C19 | H191 | 179.3° | 180.0° |
| C21 | C22 | C13 | C18 | 0.1° | 0.1° |
| C21 | C22 | C13 | F23 | 179.9° | 180.0° |
| C22 | C21 | C20 | F24 | 180.0° | 180.0° |
| C18 | C13 | C22 | F23 | 179.8° | 180.0° |
| C13 | C18 | C19 | H191 | 179.4° | 179.9° |
| C22 | C13 | C18 | H181 | 179.8° | 180.0° |
| C13 | C22 | C21 | H211 | 180.0° | 179.9° |
| F23 | C22 | C21 | H211 | 0.1° | 0.0° |
| F24 | C20 | C21 | H211 | 0.0° | 0.1° |
| F24 | C20 | C19 | H191 | 0.3° | 0.1° |
| C10 | C25 | C27 | C26 | 175.0° | 180.0° |
| C10 | C25 | C28 | C29 | 179.7° | 180.0° |
| C10 | C25 | C27 | C28 | 123.6° | 120.0° |
| C10 | C25 | C27 | H251 | 119.0° | 120.0° |
| C10 | C25 | C28 | H251 | 118.8° | 119.9° |
| C25 | C10 | H101 | H102 | 117.6° | 120.0° |
| C10 | C25 | C27 | H271 | 54.5° | 60.0° |
| C10 | C25 | C27 | H272 | 64.5° | 60.0° |
| C10 | C25 | C28 | H281 | 59.2° | 60.1° |
| C10 | C25 | C28 | H282 | 59.8° | 60.0° |
| C27 | C26 | C30 | C29 | 37.0° | 60.0° |
| C27 | C26 | C30 | H261 | 120.5° | 120.0° |
| C27 | C26 | C30 | H262 | 120.5° | 120.0° |
| C26 | C27 | C25 | H271 | 120.5° | 120.0° |
| C26 | C27 | C25 | H272 | 120.5° | 120.0° |
| C26 | C27 | C25 | C28 | 61.4° | 60.0° |
| C27 | C26 | H261 | H262 | 118.5° | 120.0° |
| C26 | C27 | H271 | H272 | 118.4° | 120.0° |
| C27 | C26 | C30 | H302 | 158.0° | 60.0° |
| C27 | C26 | C30 | H301 | 84.0° | 180.0° |
| C26 | C27 | C25 | H251 | 55.9° | 60.0° |
| C28 | C29 | C30 | H292 | 121.0° | 120.0° |
| C28 | C29 | C30 | H291 | 121.0° | 120.0° |
| C28 | C29 | C30 | C26 | 33.4° | 60.0° |
| C29 | C28 | C25 | C27 | 55.8° | 60.0° |
| C29 | C28 | C25 | H281 | 120.5° | 120.0° |
| C29 | C28 | C25 | H282 | 120.5° | 120.0° |
| C29 | C28 | H281 | H282 | 118.6° | 119.9° |
| C28 | C29 | H292 | H291 | 116.8° | 120.0° |
| C28 | C29 | C30 | H302 | 154.4° | 60.0° |
| C28 | C29 | C30 | H301 | 87.6° | 180.0° |
| C29 | C28 | C25 | H251 | 61.5° | 60.0° |
| C29 | C30 | C26 | H302 | 121.0° | 120.0° |
| C29 | C30 | C26 | H301 | 121.0° | 120.0° |
| C30 | C29 | C28 | C25 | 43.2° | 60.0° |
| C29 | C30 | C26 | H261 | 157.4° | 180.0° |
| C29 | C30 | C26 | H262 | 83.6° | 60.0° |
| C30 | C29 | C28 | H281 | 77.3° | 60.0° |
| C30 | C29 | C28 | H282 | 163.7° | 180.0° |
| C30 | C29 | H292 | H291 | 116.8° | 120.0° |
| C29 | C30 | H302 | H301 | 117.0° | 120.0° |
| C30 | C26 | C27 | C25 | 51.7° | 60.0° |
| C30 | C26 | H261 | H262 | 118.5° | 120.0° |
| C30 | C26 | C27 | H271 | 172.2° | 180.0° |
| C30 | C26 | C27 | H272 | 68.8° | 60.0° |
| C26 | C30 | C29 | H292 | 87.6° | 60.0° |
| C26 | C30 | C29 | H291 | 154.4° | 180.0° |
| C26 | C30 | H302 | H301 | 117.0° | 120.0° |
| C27 | C25 | C28 | H251 | 117.2° | 120.0° |
| C27 | C25 | C10 | H101 | 64.5° | 65.0° |
| C27 | C25 | C10 | H102 | 177.1° | 55.0° |
| C25 | C27 | C26 | H261 | 172.2° | 180.0° |
| C25 | C27 | C26 | H262 | 68.8° | 60.0° |
| C25 | C27 | H271 | H272 | 118.4° | 119.9° |
| C27 | C25 | C28 | H281 | 64.7° | 60.0° |
| C27 | C25 | C28 | H282 | 176.2° | 180.0° |
| C28 | C25 | C10 | H101 | 173.2° | 55.0° |
| C28 | C25 | C10 | H102 | 54.7° | 175.0° |
| C28 | C25 | C27 | H271 | 178.0° | 180.0° |
| C28 | C25 | C27 | H272 | 59.1° | 60.0° |
| C25 | C28 | H281 | H282 | 118.5° | 120.1° |
| C25 | C28 | C29 | H292 | 77.8° | 60.0° |
| C25 | C28 | C29 | H291 | 164.2° | 179.9° |
| C17 | N31 | C35 | C34 | 166.8° | 174.2° |
| C17 | N31 | C36 | C32 | 123.6° | 174.2° |
| C17 | N31 | C35 | C36 | 118.0° | 124.1° |
| N31 | C17 | C16 | H162 | 62.0° | 60.0° |
| N31 | C17 | C16 | H161 | 178.5° | 60.0° |
| N31 | C17 | H172 | H171 | 120.6° | 120.1° |
| C17 | N31 | C35 | H351 | 74.9° | 54.2° |
| C17 | N31 | C35 | H352 | 48.5° | 65.8° |
| C17 | N31 | C36 | H361 | 2.7° | 65.8° |
| C17 | N31 | C36 | H362 | 115.5° | 54.2° |
| C32 | C33 | C34 | H332 | 119.3° | 119.9° |
| C32 | C33 | C34 | H331 | 119.3° | 119.9° |
| C32 | C33 | C34 | C35 | 74.3° | 57.7° |
| C33 | C32 | C36 | H321 | 121.0° | 119.9° |
| C33 | C32 | C36 | H322 | 121.0° | 119.9° |
| C33 | C32 | C36 | N31 | 7.7° | 59.2° |
| C32 | C33 | C34 | C37 | 155.8° | 177.6° |
| C33 | C32 | H321 | H322 | 116.9° | 120.1° |
| C32 | C33 | H332 | H331 | 121.9° | 120.1° |
| C32 | C33 | C34 | H341 | 37.4° | 62.3° |
| C33 | C32 | C36 | H361 | 128.7° | 60.8° |
| C33 | C32 | C36 | H362 | 113.2° | 179.1° |
| C33 | C34 | C35 | C37 | 132.1° | 119.9° |
| C33 | C34 | C35 | H341 | 112.0° | 120.0° |
| C34 | C33 | C32 | C36 | 24.4° | 57.7° |
| C33 | C34 | C35 | N31 | 87.7° | 59.2° |
| C33 | C34 | C37 | H341 | 118.7° | 120.1° |
| C33 | C34 | C37 | O38 | 149.0° | 65.0° |
| C34 | C33 | C32 | H321 | 145.3° | 177.6° |
| C34 | C33 | C32 | H322 | 96.6° | 62.3° |
| C34 | C33 | H332 | H331 | 121.9° | 120.2° |
| C33 | C34 | C35 | H351 | 154.0° | 179.2° |
| C33 | C34 | C35 | H352 | 30.7° | 60.8° |
| C33 | C34 | C37 | H372 | 30.0° | 55.0° |
| C33 | C34 | C37 | H371 | 92.1° | 175.0° |
| C34 | C35 | N31 | H351 | 118.3° | 120.0° |
| C34 | C35 | N31 | H352 | 118.4° | 120.0° |
| C34 | C35 | N31 | C36 | 48.8° | 61.7° |
| C35 | C34 | C37 | H341 | 116.0° | 120.1° |
| C35 | C34 | C37 | O38 | 85.7° | 175.1° |
| C35 | C34 | C33 | H332 | 166.3° | 177.6° |
| C35 | C34 | C33 | H331 | 45.0° | 62.2° |
| C34 | C35 | H351 | H352 | 124.7° | 120.0° |
| C35 | C34 | C37 | H372 | 155.3° | 64.8° |
| C35 | C34 | C37 | H371 | 33.3° | 55.2° |
| C32 | C36 | N31 | C35 | 6.4° | 61.8° |
| C32 | C36 | N31 | H361 | 120.9° | 120.0° |
| C32 | C36 | N31 | H362 | 120.9° | 119.9° |
| C36 | C32 | H321 | H322 | 116.9° | 120.1° |
| C36 | C32 | C33 | H332 | 143.7° | 177.6° |
| C36 | C32 | C33 | H331 | 95.0° | 62.3° |
| C32 | C36 | H361 | H362 | 117.1° | 120.0° |
| N31 | C35 | C34 | C37 | 140.2° | 179.1° |
| C35 | N31 | C17 | H172 | 85.0° | 70.0° |
| C35 | N31 | C17 | H171 | 35.4° | 50.0° |
| N31 | C35 | C34 | H341 | 24.3° | 60.8° |
| N31 | C35 | H351 | H352 | 124.7° | 119.9° |
| C35 | N31 | C36 | H361 | 114.6° | 58.2° |
| C35 | N31 | C36 | H362 | 127.3° | 178.3° |
| C36 | N31 | C17 | H172 | 39.5° | 54.1° |
| C36 | N31 | C17 | H171 | 159.9° | 174.2° |
| N31 | C36 | C32 | H321 | 113.2° | 179.1° |
| N31 | C36 | C32 | H322 | 128.7° | 60.7° |
| C36 | N31 | C35 | H351 | 167.2° | 178.2° |
| C36 | N31 | C35 | H352 | 69.5° | 58.2° |
| N31 | C36 | H361 | H362 | 117.1° | 120.0° |
| C34 | C37 | O38 | H372 | 119.0° | 120.1° |
| C34 | C37 | O38 | H371 | 119.0° | 120.0° |
| C34 | C37 | O38 | C39 | 34.9° | 180.0° |
| C37 | C34 | C33 | H332 | 36.4° | 62.5° |
| C37 | C34 | C33 | H331 | 84.9° | 57.7° |
| C37 | C34 | C35 | H351 | 21.9° | 60.9° |
| C37 | C34 | C35 | H352 | 101.4° | 59.2° |
| C34 | C37 | H372 | H371 | 122.9° | 120.0° |
| O38 | C37 | C34 | H341 | 30.3° | 55.1° |
| O38 | C37 | H372 | H371 | 122.9° | 119.9° |
| C37 | O38 | C39 | H393 | 180.0° | 179.9° |
| C37 | O38 | C39 | H391 | 60.0° | 59.9° |
| C37 | O38 | C39 | H392 | 60.0° | 60.0° |
| C39 | O38 | C37 | H372 | 84.1° | 59.9° |
| C39 | O38 | C37 | H371 | 153.9° | 60.0° |
| O38 | C39 | H393 | H391 | 120.0° | 120.0° |
| O38 | C39 | H393 | H392 | 120.0° | 120.0° |
| O38 | C39 | H391 | H392 | 120.0° | 120.0° |
| H101 | C10 | C25 | H251 | 54.4° | 175.0° |
| H102 | C10 | C25 | H251 | 64.1° | 65.0° |
| H162 | C16 | C17 | H172 | 57.8° | 60.0° |
| H162 | C16 | C17 | H171 | 178.2° | 180.0° |
| H162 | C16 | N14 | H141 | 157.2° | 120.0° |
| H161 | C16 | C17 | H172 | 61.7° | 180.0° |
| H161 | C16 | C17 | H171 | 58.7° | 60.0° |
| H161 | C16 | N14 | H141 | 37.7° | 120.0° |
| H181 | C18 | C19 | H191 | 0.6° | 0.0° |
| H261 | C26 | C27 | H271 | 67.3° | 59.9° |
| H261 | C26 | C27 | H272 | 51.7° | 60.0° |
| H261 | C26 | C30 | H302 | 81.6° | 60.0° |
| H261 | C26 | C30 | H301 | 36.5° | 60.0° |
| H262 | C26 | C27 | H271 | 51.7° | 60.1° |
| H262 | C26 | C27 | H272 | 170.7° | 180.0° |
| H262 | C26 | C30 | H302 | 37.4° | 180.0° |
| H262 | C26 | C30 | H301 | 155.4° | 60.0° |
| H271 | C27 | C25 | H251 | 64.6° | 60.0° |
| H272 | C27 | C25 | H251 | 176.4° | 180.0° |
| H281 | C28 | C29 | H292 | 161.7° | 180.0° |
| H281 | C28 | C29 | H291 | 43.7° | 59.9° |
| H281 | C28 | C25 | H251 | 178.0° | 180.0° |
| H282 | C28 | C29 | H292 | 42.7° | 60.0° |
| H282 | C28 | C29 | H291 | 75.3° | 60.0° |
| H282 | C28 | C25 | H251 | 59.0° | 59.9° |
| H292 | C29 | C30 | H302 | 33.4° | 180.0° |
| H292 | C29 | C30 | H301 | 151.4° | 60.0° |
| H291 | C29 | C30 | H302 | 84.6° | 60.0° |
| H291 | C29 | C30 | H301 | 33.4° | 60.0° |
| H321 | C32 | C33 | H332 | 95.3° | 62.5° |
| H321 | C32 | C33 | H331 | 26.0° | 57.7° |
| H321 | C32 | C36 | H361 | 7.7° | 59.1° |
| H321 | C32 | C36 | H362 | 125.9° | 60.9° |
| H322 | C32 | C33 | H332 | 22.7° | 57.7° |
| H322 | C32 | C33 | H331 | 144.1° | 177.8° |
| H322 | C32 | C36 | H361 | 110.4° | 179.3° |
| H322 | C32 | C36 | H362 | 7.8° | 59.3° |
| H332 | C33 | C34 | H341 | 82.0° | 57.6° |
| H331 | C33 | C34 | H341 | 156.7° | 177.8° |
| H341 | C34 | C35 | H351 | 94.1° | 59.2° |
| H341 | C34 | C35 | H352 | 142.6° | 179.2° |
| H341 | C34 | C37 | H372 | 88.7° | 175.1° |
| H341 | C34 | C37 | H371 | 149.3° | 64.9° |
| H393 | C39 | H391 | H392 | 120.0° | 120.0° |
