A1L8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.37Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.55Å | 1.63Å | |
| C07 | C06 | sing | 1.55Å | 1.30Å | |
| O08 | C07 | sing | 1.45Å | 1.53Å | |
| N09 | O08 | sing | 1.47Å | 1.57Å | |
| C10 | N09 | sing | 1.39Å | 1.47Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N13 | sing | 1.40Å | 1.48Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | O16 | sing | 1.43Å | 1.41Å | |
| O16 | C15 | sing | 1.36Å | 1.41Å | |
| C18 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.47Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.47Å | |
| C25 | N24 | sing | 1.47Å | 1.38Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| N27 | C26 | sing | 1.47Å | 1.38Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | N27 | sing | 1.47Å | 1.29Å | |
| C31 | N27 | sing | 1.47Å | 1.38Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| N24 | C23 | sing | 1.47Å | 1.31Å | |
| C33 | C23 | sing | 1.53Å | 1.47Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| N20 | C19 | sing | 1.40Å | 1.48Å | |
| C35 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C37 | N36 | sing | 1.35Å | 1.48Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.51Å | 1.54Å | |
| O40 | C37 | doub | 1.21Å | 1.19Å | |
| N36 | C35 | sing | 1.40Å | 1.49Å | |
| C41 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| N13 | C12 | sing | 1.39Å | 1.46Å | |
| N42 | C12 | doub | 1.33Å | 1.32Å | Aromatic |
| C43 | N42 | sing | 1.32Å | 1.32Å | Aromatic |
| N44 | C43 | doub | 1.32Å | 1.32Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.56Å | |
| C45 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| F47 | C46 | sing | 1.35Å | 1.36Å | |
| C48 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | N09 | sing | 1.48Å | 1.29Å | |
| C10 | N44 | sing | 1.33Å | 1.32Å | Aromatic |
| C14 | C41 | sing | 1.39Å | 1.41Å | Aromatic |
| N20 | C34 | sing | 1.47Å | 1.55Å | |
| N24 | C32 | sing | 1.47Å | 1.37Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C17 | H173 | 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 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 121.7° | 120.0° |
| F01 | C02 | C48 | 119.2° | 120.0° |
| C02 | C03 | C04 | 121.4° | 120.0° |
| C03 | C02 | C48 | 119.0° | 120.0° |
| C02 | C03 | H031 | 119.3° | 120.0° |
| C03 | C04 | C05 | 121.5° | 120.0° |
| C03 | C04 | C45 | 119.3° | 120.0° |
| C04 | C03 | H031 | 119.3° | 120.0° |
| C05 | C06 | C07 | 104.9° | 102.5° |
| C06 | C05 | C04 | 107.2° | 110.3° |
| C06 | C05 | N09 | 104.7° | 105.3° |
| C06 | C05 | H051 | 109.1° | 110.4° |
| C05 | C06 | H062 | 110.6° | 110.8° |
| C05 | C06 | H061 | 110.6° | 110.9° |
| C06 | C07 | O08 | 104.9° | 102.6° |
| C07 | C06 | H062 | 110.6° | 110.8° |
| C07 | C06 | H061 | 110.6° | 111.0° |
| C06 | C07 | H072 | 110.6° | 110.8° |
| C06 | C07 | H071 | 110.6° | 110.8° |
| C07 | O08 | N09 | 105.2° | 106.3° |
| O08 | C07 | H072 | 110.6° | 110.7° |
| O08 | C07 | H071 | 110.6° | 111.0° |
| O08 | N09 | C10 | 127.7° | 111.0° |
| O08 | N09 | C05 | 104.2° | 107.9° |
| N09 | C10 | C11 | 122.1° | 120.4° |
| C10 | N09 | C05 | 125.6° | 111.0° |
| N09 | C10 | N44 | 117.9° | 120.5° |
| C10 | C11 | C12 | 116.9° | 118.3° |
| C11 | C10 | N44 | 120.0° | 119.0° |
| C10 | C11 | H111 | 121.5° | 120.9° |
| C11 | C12 | N13 | 123.6° | 120.5° |
| C11 | C12 | N42 | 119.1° | 119.0° |
| C12 | C11 | H111 | 121.5° | 120.8° |
| N13 | C14 | C15 | 119.2° | 120.0° |
| C14 | N13 | C12 | 127.1° | 120.0° |
| N13 | C14 | C41 | 120.8° | 120.0° |
| C14 | N13 | H131 | 116.5° | 120.0° |
| C14 | C15 | O16 | 119.6° | 120.0° |
| C14 | C15 | C18 | 119.9° | 120.0° |
| C15 | C14 | C41 | 120.0° | 120.0° |
| C17 | O16 | C15 | 112.7° | 117.0° |
| O16 | C17 | H173 | 109.5° | 109.5° |
| O16 | C17 | H172 | 109.4° | 109.5° |
| O16 | C17 | H171 | 109.5° | 109.5° |
| O16 | C15 | C18 | 120.5° | 120.0° |
| C15 | C18 | C19 | 119.9° | 120.0° |
| C15 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | N20 | 120.3° | 120.0° |
| C18 | C19 | C35 | 120.6° | 120.0° |
| C19 | C18 | H181 | 120.1° | 120.0° |
| N20 | C21 | C22 | 111.8° | 109.5° |
| C21 | N20 | C19 | 120.0° | 111.0° |
| C21 | N20 | C34 | 109.0° | 111.2° |
| N20 | C21 | H212 | 108.9° | 109.4° |
| N20 | C21 | H211 | 108.9° | 109.4° |
| C21 | C22 | C23 | 112.0° | 109.3° |
| C22 | C21 | H212 | 108.9° | 109.5° |
| C22 | C21 | H211 | 108.9° | 109.5° |
| C21 | C22 | H222 | 108.8° | 109.5° |
| C21 | C22 | H221 | 108.9° | 109.5° |
| C22 | C23 | N24 | 99.0° | 109.6° |
| C22 | C23 | C33 | 112.5° | 109.2° |
| C23 | C22 | H222 | 108.8° | 109.5° |
| C23 | C22 | H221 | 108.8° | 109.5° |
| C22 | C23 | H231 | 107.6° | 109.5° |
| N24 | C25 | C26 | 113.7° | 109.4° |
| C25 | N24 | C23 | 114.7° | 111.0° |
| C25 | N24 | C32 | 114.7° | 110.9° |
| N24 | C25 | H251 | 108.4° | 109.5° |
| N24 | C25 | H252 | 108.4° | 109.5° |
| C25 | C26 | N27 | 115.1° | 109.3° |
| C26 | C25 | H251 | 108.4° | 109.4° |
| C26 | C25 | H252 | 108.4° | 109.5° |
| C25 | C26 | H261 | 108.1° | 109.5° |
| C25 | C26 | H262 | 108.1° | 109.5° |
| C26 | N27 | C28 | 111.8° | 111.0° |
| C26 | N27 | C31 | 113.8° | 110.9° |
| N27 | C26 | H261 | 108.1° | 109.5° |
| N27 | C26 | H262 | 108.0° | 109.5° |
| C28 | C29 | C30 | 60.1° | 60.0° |
| C29 | C28 | N27 | 110.9° | 117.5° |
| C29 | C28 | C30 | 59.7° | 60.0° |
| C29 | C28 | H281 | 107.1° | 117.5° |
| C28 | C29 | H291 | 120.0° | 117.5° |
| C28 | C29 | H292 | 120.0° | 117.5° |
| C29 | C30 | C28 | 60.2° | 60.0° |
| C30 | C29 | H291 | 120.0° | 117.5° |
| C30 | C29 | H292 | 120.0° | 117.5° |
| C29 | C30 | H301 | 120.0° | 117.5° |
| C29 | C30 | H302 | 120.0° | 117.5° |
| C28 | N27 | C31 | 110.3° | 111.0° |
| N27 | C28 | C30 | 142.2° | 117.5° |
| N27 | C28 | H281 | 110.5° | 115.6° |
| N27 | C31 | C32 | 111.0° | 109.4° |
| N27 | C31 | H311 | 109.1° | 109.5° |
| N27 | C31 | H312 | 109.1° | 109.5° |
| C31 | C32 | N24 | 113.3° | 109.4° |
| C32 | C31 | H311 | 109.1° | 109.5° |
| C32 | C31 | H312 | 109.1° | 109.5° |
| C31 | C32 | H321 | 108.5° | 109.5° |
| C31 | C32 | H322 | 108.5° | 109.5° |
| N24 | C23 | C33 | 119.6° | 109.6° |
| C23 | N24 | C32 | 108.6° | 111.0° |
| N24 | C23 | H231 | 109.9° | 109.5° |
| C23 | C33 | C34 | 110.8° | 109.3° |
| C33 | C23 | H231 | 107.6° | 109.4° |
| C23 | C33 | H332 | 109.1° | 109.6° |
| C23 | C33 | H331 | 109.1° | 109.5° |
| C33 | C34 | N20 | 112.8° | 109.5° |
| C34 | C33 | H332 | 109.1° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.5° |
| C33 | C34 | H342 | 108.6° | 109.4° |
| C33 | C34 | H341 | 108.6° | 109.5° |
| N20 | C19 | C35 | 119.1° | 120.0° |
| C19 | N20 | C34 | 122.1° | 111.0° |
| C19 | C35 | N36 | 119.3° | 120.0° |
| C19 | C35 | C41 | 119.2° | 120.0° |
| N36 | C37 | C38 | 119.4° | 120.0° |
| N36 | C37 | O40 | 122.3° | 120.0° |
| C37 | N36 | C35 | 124.2° | 120.0° |
| C37 | N36 | H361 | 117.9° | 120.0° |
| C39 | C38 | C37 | 111.4° | 109.5° |
| C39 | C38 | H381 | 109.0° | 109.5° |
| C39 | C38 | H382 | 109.0° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C38 | C39 | H393 | 109.4° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C37 | O40 | 118.3° | 120.0° |
| C37 | C38 | H381 | 109.0° | 109.4° |
| C37 | C38 | H382 | 109.0° | 109.4° |
| N36 | C35 | C41 | 121.5° | 120.0° |
| C35 | N36 | H361 | 117.9° | 120.0° |
| C35 | C41 | C14 | 120.4° | 120.0° |
| C35 | C41 | H411 | 119.8° | 120.0° |
| N13 | C12 | N42 | 117.3° | 120.5° |
| C12 | N13 | H131 | 116.4° | 120.0° |
| C12 | N42 | C43 | 122.2° | 120.9° |
| N42 | C43 | N44 | 120.7° | 121.9° |
| N42 | C43 | H431 | 119.6° | 119.0° |
| C43 | N44 | C10 | 121.0° | 120.9° |
| N44 | C43 | H431 | 119.7° | 119.0° |
| C05 | C04 | C45 | 119.2° | 120.0° |
| C04 | C05 | N09 | 111.1° | 110.3° |
| C04 | C05 | H051 | 109.9° | 110.2° |
| C04 | C45 | C46 | 118.8° | 120.0° |
| C04 | C45 | H451 | 120.6° | 120.0° |
| C45 | C46 | F47 | 119.5° | 120.0° |
| C45 | C46 | C48 | 122.0° | 120.0° |
| C46 | C45 | H451 | 120.6° | 120.0° |
| F47 | C46 | C48 | 118.4° | 120.0° |
| C46 | C48 | C02 | 119.4° | 120.0° |
| C46 | C48 | H481 | 120.3° | 120.1° |
| C02 | C48 | H481 | 120.3° | 120.0° |
| N09 | C05 | H051 | 114.4° | 110.3° |
| C14 | C41 | H411 | 119.8° | 120.0° |
| N20 | C34 | H342 | 108.6° | 109.4° |
| N20 | C34 | H341 | 108.6° | 109.5° |
| N24 | C32 | H321 | 108.5° | 109.5° |
| N24 | C32 | H322 | 108.5° | 109.5° |
| C30 | C28 | H281 | 107.1° | 117.5° |
| C28 | C30 | H301 | 120.0° | 117.5° |
| C28 | C30 | H302 | 120.0° | 117.5° |
| H062 | C06 | H061 | 109.4° | 110.7° |
| H072 | C07 | H071 | 109.5° | 110.7° |
| H173 | C17 | H172 | 109.4° | 109.4° |
| H173 | C17 | H171 | 109.4° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.4° | 115.5° |
| H301 | C30 | H302 | 109.5° | 115.6° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H393 | C39 | H391 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C48 | 179.8° | 179.7° |
| F01 | C02 | C03 | C04 | 179.8° | 180.0° |
| F01 | C02 | C48 | C46 | 179.8° | 179.8° |
| F01 | C02 | C03 | H031 | 0.2° | 0.0° |
| F01 | C02 | C48 | H481 | 0.2° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.6° | 180.0° |
| C02 | C03 | C04 | C45 | 0.6° | 0.1° |
| C03 | C02 | C48 | C46 | 0.0° | 0.5° |
| C03 | C02 | C48 | H481 | 180.0° | 179.7° |
| C03 | C04 | C05 | C06 | 111.0° | 141.0° |
| C03 | C04 | C05 | C45 | 179.0° | 180.0° |
| C03 | C04 | C45 | C46 | 0.5° | 0.1° |
| C04 | C03 | C02 | C48 | 0.4° | 0.3° |
| C03 | C04 | C05 | N09 | 2.9° | 103.2° |
| C03 | C04 | C05 | H051 | 130.5° | 18.9° |
| C03 | C04 | C45 | H451 | 179.5° | 180.0° |
| C05 | C06 | C07 | H062 | 119.3° | 118.3° |
| C05 | C06 | C07 | H061 | 119.3° | 118.4° |
| C05 | C06 | C07 | O08 | 30.4° | 36.5° |
| C06 | C05 | N09 | O08 | 31.8° | 1.6° |
| C06 | C05 | N09 | C10 | 165.2° | 123.4° |
| C06 | C05 | C04 | N09 | 113.8° | 115.8° |
| C06 | C05 | C04 | H051 | 118.5° | 122.1° |
| C06 | C05 | C04 | C45 | 68.0° | 39.0° |
| C06 | C05 | N09 | H051 | 119.4° | 119.0° |
| C05 | C06 | H062 | H061 | 122.1° | 123.4° |
| C05 | C06 | C07 | H072 | 149.7° | 81.8° |
| C05 | C06 | C07 | H071 | 88.8° | 155.0° |
| C06 | C07 | O08 | H072 | 119.3° | 118.2° |
| C06 | C07 | O08 | H071 | 119.3° | 118.4° |
| C06 | C07 | O08 | N09 | 12.8° | 38.6° |
| C07 | C06 | C05 | C04 | 74.8° | 140.0° |
| C07 | C06 | C05 | N09 | 43.3° | 21.1° |
| C07 | C06 | C05 | H051 | 166.2° | 97.9° |
| C07 | C06 | H062 | H061 | 122.1° | 123.5° |
| C06 | C07 | H072 | H071 | 122.1° | 123.3° |
| C07 | O08 | N09 | C10 | 177.8° | 147.7° |
| C07 | O08 | N09 | C05 | 15.2° | 25.9° |
| O08 | C07 | C06 | H062 | 88.8° | 154.7° |
| O08 | C07 | C06 | H061 | 149.7° | 81.9° |
| O08 | C07 | H072 | H071 | 122.1° | 123.5° |
| O08 | N09 | C10 | C05 | 159.0° | 120.0° |
| O08 | N09 | C10 | C11 | 37.6° | 139.1° |
| O08 | N09 | C05 | C04 | 83.6° | 117.3° |
| O08 | N09 | C10 | N44 | 142.8° | 41.2° |
| O08 | N09 | C05 | H051 | 151.2° | 120.7° |
| N09 | O08 | C07 | H072 | 132.1° | 79.6° |
| N09 | O08 | C07 | H071 | 106.4° | 157.0° |
| N09 | C10 | C11 | N44 | 179.6° | 179.7° |
| N09 | C10 | C11 | C12 | 179.7° | 180.0° |
| N09 | C10 | N44 | C43 | 179.8° | 179.7° |
| C10 | N09 | C05 | C04 | 79.4° | 4.5° |
| C10 | N09 | C05 | H051 | 45.8° | 117.5° |
| N09 | C10 | C11 | H111 | 0.3° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 179.5° | 180.0° |
| C10 | C11 | C12 | N42 | 0.7° | 0.0° |
| C11 | C10 | N44 | C43 | 0.6° | 0.6° |
| C11 | C10 | N09 | C05 | 163.4° | 100.9° |
| C11 | C12 | N13 | C14 | 30.9° | 5.6° |
| C11 | C12 | N13 | N42 | 178.8° | 179.9° |
| C11 | C12 | N42 | C43 | 0.6° | 0.0° |
| C12 | C11 | C10 | N44 | 0.7° | 0.3° |
| C11 | C12 | N13 | H131 | 149.1° | 174.4° |
| N13 | C14 | C15 | C41 | 178.1° | 179.6° |
| N13 | C14 | C15 | O16 | 1.5° | 0.1° |
| N13 | C14 | C15 | C18 | 178.9° | 180.0° |
| N13 | C14 | C41 | C35 | 178.6° | 179.7° |
| C14 | N13 | C12 | H131 | 180.0° | 180.0° |
| C14 | N13 | C12 | N42 | 150.3° | 174.3° |
| N13 | C14 | C41 | H411 | 1.4° | 0.1° |
| C14 | C15 | O16 | C17 | 126.8° | 180.0° |
| C14 | C15 | O16 | C18 | 179.7° | 179.9° |
| C14 | C15 | C18 | C19 | 0.6° | 0.1° |
| C15 | C14 | C41 | C35 | 0.5° | 0.7° |
| C15 | C14 | N13 | C12 | 114.6° | 71.6° |
| C14 | C15 | C18 | H181 | 179.4° | 179.9° |
| C15 | C14 | C41 | H411 | 179.5° | 179.7° |
| C15 | C14 | N13 | H131 | 65.4° | 108.4° |
| C17 | O16 | C15 | C18 | 53.5° | 0.1° |
| O16 | C17 | H173 | H172 | 120.0° | 120.0° |
| O16 | C17 | H173 | H171 | 120.0° | 120.1° |
| O16 | C17 | H172 | H171 | 120.0° | 120.0° |
| O16 | C15 | C18 | C19 | 179.8° | 179.9° |
| O16 | C15 | C14 | C41 | 179.6° | 179.7° |
| C15 | O16 | C17 | H173 | 180.0° | 59.9° |
| C15 | O16 | C17 | H172 | 60.0° | 60.0° |
| C15 | O16 | C17 | H171 | 60.0° | 180.0° |
| O16 | C15 | C18 | H181 | 0.2° | 0.0° |
| C15 | C18 | C19 | H181 | 180.0° | 179.9° |
| C15 | C18 | C19 | N20 | 179.8° | 180.0° |
| C15 | C18 | C19 | C35 | 0.1° | 0.0° |
| C18 | C15 | C14 | C41 | 0.7° | 0.4° |
| C18 | C19 | N20 | C21 | 112.3° | 60.0° |
| C18 | C19 | N20 | C35 | 179.8° | 180.0° |
| C18 | C19 | C35 | N36 | 179.7° | 180.0° |
| C18 | C19 | C35 | C41 | 0.2° | 0.3° |
| C18 | C19 | N20 | C34 | 103.9° | 64.2° |
| N20 | C21 | C22 | H212 | 120.3° | 120.0° |
| N20 | C21 | C22 | H211 | 120.4° | 120.0° |
| N20 | C21 | C22 | C23 | 55.5° | 59.1° |
| C21 | N20 | C34 | C33 | 52.1° | 61.7° |
| C21 | N20 | C19 | C34 | 143.7° | 124.3° |
| C21 | N20 | C19 | C35 | 67.4° | 120.0° |
| N20 | C21 | H212 | H211 | 118.9° | 119.9° |
| N20 | C21 | C22 | H222 | 175.8° | 179.1° |
| N20 | C21 | C22 | H221 | 64.9° | 60.8° |
| C21 | N20 | C34 | H342 | 68.4° | 58.3° |
| C21 | N20 | C34 | H341 | 172.5° | 178.3° |
| C21 | C22 | C23 | H222 | 120.4° | 119.9° |
| C21 | C22 | C23 | H221 | 120.4° | 120.0° |
| C21 | C22 | C23 | N24 | 175.0° | 177.6° |
| C21 | C22 | C23 | C33 | 57.6° | 57.6° |
| C22 | C21 | N20 | C19 | 160.1° | 174.1° |
| C22 | C21 | N20 | C34 | 51.9° | 61.7° |
| C22 | C21 | H212 | H211 | 118.9° | 120.0° |
| C21 | C22 | H222 | H221 | 118.9° | 120.1° |
| C21 | C22 | C23 | H231 | 60.7° | 62.2° |
| C22 | C23 | N24 | C25 | 133.9° | 180.0° |
| C22 | C23 | N24 | C33 | 122.4° | 119.7° |
| C22 | C23 | N24 | H231 | 112.5° | 120.2° |
| C22 | C23 | C33 | H231 | 118.4° | 119.9° |
| C22 | C23 | C33 | C34 | 56.6° | 57.6° |
| C22 | C23 | N24 | C32 | 96.4° | 56.2° |
| C23 | C22 | C21 | H212 | 64.8° | 179.2° |
| C23 | C22 | C21 | H211 | 175.9° | 60.8° |
| C23 | C22 | H222 | H221 | 118.8° | 120.1° |
| C22 | C23 | C33 | H332 | 176.8° | 177.6° |
| C22 | C23 | C33 | H331 | 63.6° | 62.3° |
| N24 | C25 | C26 | H251 | 120.6° | 120.0° |
| N24 | C25 | C26 | H252 | 120.6° | 120.0° |
| N24 | C25 | C26 | N27 | 48.7° | 58.4° |
| C25 | N24 | C32 | C31 | 18.6° | 59.3° |
| C25 | N24 | C23 | C32 | 129.8° | 123.8° |
| C25 | N24 | C23 | C33 | 11.5° | 60.3° |
| C25 | N24 | C23 | H231 | 113.6° | 59.8° |
| N24 | C25 | H251 | H252 | 118.1° | 120.1° |
| N24 | C25 | C26 | H261 | 72.1° | 61.6° |
| N24 | C25 | C26 | H262 | 169.5° | 178.4° |
| C25 | N24 | C32 | H321 | 101.9° | 179.3° |
| C25 | N24 | C32 | H322 | 139.2° | 60.6° |
| C25 | C26 | N27 | H261 | 120.8° | 119.9° |
| C25 | C26 | N27 | H262 | 120.8° | 120.0° |
| C25 | C26 | N27 | C28 | 132.8° | 176.8° |
| C25 | C26 | N27 | C31 | 7.0° | 59.3° |
| C26 | C25 | N24 | C23 | 158.0° | 176.8° |
| C26 | C25 | N24 | C32 | 31.3° | 59.3° |
| C26 | C25 | H251 | H252 | 118.1° | 120.0° |
| C25 | C26 | H261 | H262 | 117.5° | 120.0° |
| C26 | N27 | C28 | C29 | 107.4° | 124.8° |
| C26 | N27 | C28 | C31 | 127.7° | 123.8° |
| C26 | N27 | C31 | C32 | 42.8° | 59.3° |
| C26 | N27 | C28 | C30 | 40.2° | 56.2° |
| N27 | C26 | C25 | H251 | 169.4° | 61.6° |
| N27 | C26 | C25 | H252 | 71.9° | 178.4° |
| N27 | C26 | H261 | H262 | 117.4° | 120.1° |
| C26 | N27 | C28 | H281 | 134.0° | 89.5° |
| C26 | N27 | C31 | H311 | 163.0° | 179.3° |
| C26 | N27 | C31 | H312 | 77.4° | 60.7° |
| C28 | C29 | C30 | H291 | 109.5° | 107.5° |
| C28 | C29 | C30 | H292 | 109.5° | 107.5° |
| C29 | C28 | N27 | C30 | 67.2° | 68.6° |
| C29 | C28 | N27 | H281 | 118.6° | 145.7° |
| C29 | C28 | N27 | C31 | 124.9° | 111.4° |
| C29 | C28 | C30 | H281 | 100.2° | 107.5° |
| C28 | C29 | H291 | H292 | 144.7° | 145.7° |
| C28 | C29 | C30 | H301 | 109.5° | 107.5° |
| C28 | C29 | C30 | H302 | 109.5° | 107.5° |
| C30 | C29 | H291 | H292 | 144.7° | 145.7° |
| C29 | C30 | H301 | H302 | 144.6° | 145.7° |
| C28 | N27 | C31 | C32 | 83.8° | 176.8° |
| N27 | C28 | C30 | H281 | 174.3° | 145.0° |
| C28 | N27 | C26 | H261 | 12.0° | 63.2° |
| C28 | N27 | C26 | H262 | 106.4° | 56.8° |
| N27 | C28 | C29 | H291 | 29.6° | 0.0° |
| N27 | C28 | C29 | H292 | 111.4° | 145.0° |
| N27 | C28 | C30 | H301 | 23.9° | 145.0° |
| N27 | C28 | C30 | H302 | 164.9° | 0.1° |
| C28 | N27 | C31 | H311 | 36.5° | 56.8° |
| C28 | N27 | C31 | H312 | 156.0° | 63.2° |
| N27 | C31 | C32 | H311 | 120.2° | 120.0° |
| N27 | C31 | C32 | H312 | 120.2° | 120.0° |
| N27 | C31 | C32 | N24 | 60.6° | 58.4° |
| C31 | N27 | C28 | C30 | 167.9° | 180.0° |
| C31 | N27 | C26 | H261 | 113.8° | 60.6° |
| C31 | N27 | C26 | H262 | 127.8° | 179.3° |
| C31 | N27 | C28 | H281 | 6.3° | 34.3° |
| N27 | C31 | H311 | H312 | 119.3° | 120.0° |
| N27 | C31 | C32 | H321 | 59.9° | 178.4° |
| N27 | C31 | C32 | H322 | 178.8° | 61.6° |
| C31 | C32 | N24 | C23 | 111.2° | 176.8° |
| C31 | C32 | N24 | H321 | 120.6° | 120.0° |
| C31 | C32 | N24 | H322 | 120.6° | 120.0° |
| C32 | C31 | H311 | H312 | 119.3° | 120.1° |
| C31 | C32 | H321 | H322 | 118.3° | 120.0° |
| N24 | C23 | C33 | H231 | 126.2° | 120.1° |
| N24 | C23 | C33 | C34 | 172.0° | 177.6° |
| N24 | C23 | C22 | H222 | 54.6° | 62.5° |
| N24 | C23 | C22 | H221 | 64.6° | 57.6° |
| C23 | N24 | C25 | H251 | 81.4° | 63.3° |
| C23 | N24 | C25 | H252 | 37.4° | 56.9° |
| C23 | N24 | C32 | H321 | 128.3° | 56.8° |
| C23 | N24 | C32 | H322 | 9.4° | 63.2° |
| N24 | C23 | C33 | H332 | 67.8° | 62.4° |
| N24 | C23 | C33 | H331 | 51.8° | 57.7° |
| C23 | C33 | C34 | H332 | 120.2° | 120.0° |
| C23 | C33 | C34 | H331 | 120.2° | 119.9° |
| C23 | C33 | C34 | N20 | 54.6° | 59.1° |
| C33 | C23 | N24 | C32 | 141.3° | 175.9° |
| C33 | C23 | C22 | H222 | 178.0° | 177.5° |
| C33 | C23 | C22 | H221 | 62.8° | 62.4° |
| C23 | C33 | H332 | H331 | 119.4° | 120.1° |
| C23 | C33 | C34 | H342 | 65.9° | 60.9° |
| C23 | C33 | C34 | H341 | 175.1° | 179.1° |
| C33 | C34 | N20 | C19 | 160.7° | 174.2° |
| C33 | C34 | N20 | H342 | 120.5° | 120.0° |
| C33 | C34 | N20 | H341 | 120.5° | 120.0° |
| C34 | C33 | C23 | H231 | 61.8° | 62.3° |
| C34 | C33 | H332 | H331 | 119.4° | 120.0° |
| C33 | C34 | H342 | H341 | 118.5° | 120.0° |
| N20 | C19 | C35 | N36 | 0.1° | 0.1° |
| N20 | C19 | C35 | C41 | 179.6° | 179.8° |
| N20 | C19 | C18 | H181 | 0.1° | 0.0° |
| C19 | N20 | C21 | H212 | 79.6° | 54.1° |
| C19 | N20 | C21 | H211 | 39.7° | 65.9° |
| C19 | N20 | C34 | H342 | 78.8° | 65.9° |
| C19 | N20 | C34 | H341 | 40.3° | 54.1° |
| C19 | C35 | N36 | C37 | 137.5° | 150.8° |
| C19 | C35 | N36 | C41 | 179.4° | 179.7° |
| C19 | C35 | C41 | C14 | 0.0° | 0.6° |
| C35 | C19 | N20 | C34 | 76.3° | 115.7° |
| C35 | C19 | C18 | H181 | 179.9° | 179.9° |
| C19 | C35 | C41 | H411 | 180.0° | 179.8° |
| C19 | C35 | N36 | H361 | 42.5° | 29.2° |
| N36 | C37 | C38 | C39 | 97.6° | 180.0° |
| N36 | C37 | C38 | O40 | 178.7° | 180.0° |
| C37 | N36 | C35 | H361 | 180.0° | 180.0° |
| C37 | N36 | C35 | C41 | 42.0° | 28.9° |
| N36 | C37 | C38 | H381 | 22.7° | 59.9° |
| N36 | C37 | C38 | H382 | 142.1° | 60.0° |
| C39 | C38 | C37 | H381 | 120.3° | 120.1° |
| C39 | C38 | C37 | H382 | 120.3° | 120.0° |
| C39 | C38 | C37 | O40 | 81.2° | 0.0° |
| C39 | C38 | H381 | H382 | 119.1° | 120.1° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H391 | 120.0° | 120.0° |
| C38 | C39 | H393 | H391 | 120.0° | 120.0° |
| C38 | C37 | N36 | C35 | 179.8° | 177.0° |
| C37 | C38 | H381 | H382 | 119.1° | 119.9° |
| C37 | C38 | C39 | H392 | 180.0° | 60.0° |
| C37 | C38 | C39 | H393 | 60.0° | 180.0° |
| C37 | C38 | C39 | H391 | 60.0° | 60.0° |
| C38 | C37 | N36 | H361 | 0.1° | 3.0° |
| O40 | C37 | N36 | C35 | 1.5° | 3.0° |
| O40 | C37 | C38 | H381 | 158.5° | 120.0° |
| O40 | C37 | C38 | H382 | 39.1° | 120.0° |
| O40 | C37 | N36 | H361 | 178.5° | 177.0° |
| N36 | C35 | C41 | C14 | 179.5° | 179.7° |
| N36 | C35 | C41 | H411 | 0.6° | 0.1° |
| C35 | C41 | C14 | H411 | 180.0° | 179.6° |
| C41 | C35 | N36 | H361 | 138.0° | 151.1° |
| N13 | C12 | N42 | C43 | 179.5° | 179.9° |
| C12 | N13 | C14 | C41 | 67.2° | 108.8° |
| N13 | C12 | C11 | H111 | 0.5° | 0.0° |
| C12 | N42 | C43 | N44 | 0.5° | 0.3° |
| N42 | C12 | C11 | H111 | 179.3° | 180.0° |
| C12 | N42 | C43 | H431 | 179.5° | 179.9° |
| N42 | C12 | N13 | H131 | 29.7° | 5.7° |
| N42 | C43 | N44 | H431 | 180.0° | 179.6° |
| N42 | C43 | N44 | C10 | 0.5° | 0.7° |
| C05 | C04 | C45 | C46 | 179.5° | 180.0° |
| C04 | C05 | N09 | H051 | 125.2° | 122.0° |
| C05 | C04 | C03 | H031 | 0.4° | 0.0° |
| C04 | C05 | C06 | H062 | 165.9° | 101.7° |
| C04 | C05 | C06 | H061 | 44.5° | 21.6° |
| C05 | C04 | C45 | H451 | 0.5° | 0.0° |
| C04 | C45 | C46 | H451 | 180.0° | 179.9° |
| C04 | C45 | C46 | F47 | 179.7° | 180.0° |
| C04 | C45 | C46 | C48 | 0.1° | 0.3° |
| C45 | C04 | C05 | N09 | 178.2° | 76.8° |
| C45 | C04 | C03 | H031 | 179.4° | 180.0° |
| C45 | C04 | C05 | H051 | 50.5° | 161.1° |
| C45 | C46 | F47 | C48 | 179.9° | 179.7° |
| C45 | C46 | C48 | C02 | 0.1° | 0.5° |
| C45 | C46 | C48 | H481 | 179.9° | 179.7° |
| F47 | C46 | C48 | C02 | 180.0° | 179.7° |
| F47 | C46 | C45 | H451 | 0.3° | 0.0° |
| F47 | C46 | C48 | H481 | 0.0° | 0.0° |
| C46 | C48 | C02 | H481 | 180.0° | 179.7° |
| C48 | C46 | C45 | H451 | 179.9° | 179.8° |
| C48 | C02 | C03 | H031 | 179.6° | 179.7° |
| C05 | N09 | C10 | N44 | 16.2° | 78.8° |
| N09 | C05 | C06 | H062 | 76.0° | 139.3° |
| N09 | C05 | C06 | H061 | 162.6° | 97.4° |
| N44 | C10 | C11 | H111 | 179.3° | 179.7° |
| C10 | N44 | C43 | H431 | 179.5° | 179.7° |
| C41 | C14 | N13 | H131 | 112.7° | 71.2° |
| C34 | N20 | C21 | H212 | 68.4° | 178.2° |
| C34 | N20 | C21 | H211 | 172.3° | 58.3° |
| N20 | C34 | C33 | H332 | 174.8° | 179.2° |
| N20 | C34 | C33 | H331 | 65.6° | 60.8° |
| N20 | C34 | H342 | H341 | 118.5° | 120.0° |
| C32 | N24 | C23 | H231 | 16.2° | 64.0° |
| C32 | N24 | C25 | H251 | 151.9° | 60.6° |
| C32 | N24 | C25 | H252 | 89.3° | 179.3° |
| N24 | C32 | C31 | H311 | 179.2° | 178.4° |
| N24 | C32 | C31 | H312 | 59.6° | 61.6° |
| N24 | C32 | H321 | H322 | 118.3° | 120.1° |
| C28 | C30 | H301 | H302 | 144.7° | 145.7° |
| H051 | C05 | C06 | H062 | 46.9° | 20.3° |
| H051 | C05 | C06 | H061 | 74.5° | 143.6° |
| H062 | C06 | C07 | H072 | 30.4° | 36.5° |
| H062 | C06 | C07 | H071 | 151.9° | 86.8° |
| H061 | C06 | C07 | H072 | 91.0° | 159.9° |
| H061 | C06 | C07 | H071 | 30.5° | 36.6° |
| H173 | C17 | H172 | H171 | 120.0° | 120.0° |
| H212 | C21 | C22 | H222 | 55.5° | 60.9° |
| H212 | C21 | C22 | H221 | 174.8° | 59.2° |
| H211 | C21 | C22 | H222 | 63.8° | 59.1° |
| H211 | C21 | C22 | H221 | 55.5° | 179.2° |
| H222 | C22 | C23 | H231 | 59.6° | 57.7° |
| H221 | C22 | C23 | H231 | 178.9° | 177.8° |
| H231 | C23 | C33 | H332 | 58.4° | 57.7° |
| H231 | C23 | C33 | H331 | 178.0° | 177.8° |
| H251 | C25 | C26 | H261 | 48.5° | 178.5° |
| H251 | C25 | C26 | H262 | 69.8° | 58.4° |
| H252 | C25 | C26 | H261 | 167.3° | 58.4° |
| H252 | C25 | C26 | H262 | 48.9° | 61.6° |
| H281 | C28 | C29 | H291 | 150.3° | 145.0° |
| H281 | C28 | C29 | H292 | 9.3° | 0.0° |
| H281 | C28 | C30 | H301 | 150.3° | 0.0° |
| H281 | C28 | C30 | H302 | 9.3° | 145.0° |
| H291 | C29 | C30 | H301 | 0.0° | 145.0° |
| H291 | C29 | C30 | H302 | 141.0° | 0.0° |
| H292 | C29 | C30 | H301 | 141.0° | 0.1° |
| H292 | C29 | C30 | H302 | 0.0° | 145.0° |
| H311 | C31 | C32 | H321 | 60.3° | 61.6° |
| H311 | C31 | C32 | H322 | 58.6° | 58.4° |
| H312 | C31 | C32 | H321 | 179.8° | 58.4° |
| H312 | C31 | C32 | H322 | 61.0° | 178.4° |
| H332 | C33 | C34 | H342 | 54.3° | 59.2° |
| H332 | C33 | C34 | H341 | 64.7° | 60.8° |
| H331 | C33 | C34 | H342 | 173.9° | 179.2° |
| H331 | C33 | C34 | H341 | 54.9° | 59.2° |
| H381 | C38 | C39 | H392 | 59.7° | 60.0° |
| H381 | C38 | C39 | H393 | 60.3° | 60.0° |
| H381 | C38 | C39 | H391 | 179.7° | 180.0° |
| H382 | C38 | C39 | H392 | 59.7° | 180.0° |
| H382 | C38 | C39 | H393 | 179.7° | 60.0° |
| H382 | C38 | C39 | H391 | 60.3° | 60.0° |
| H392 | C39 | H393 | H391 | 120.0° | 120.0° |
