80P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.55Å | 1.50Å | |
| C29 | C28 | sing | 1.55Å | 1.54Å | |
| C30 | C26 | sing | 1.54Å | 1.55Å | |
| C28 | N27 | sing | 1.48Å | 1.48Å | |
| O31 | C13 | sing | 1.36Å | 1.37Å | |
| C26 | N27 | sing | 1.48Å | 1.49Å | |
| C26 | C15 | sing | 1.51Å | 1.59Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.47Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.45Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.55Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | C22 | sing | 1.51Å | 1.60Å | |
| F25 | C22 | sing | 1.40Å | 1.34Å | |
| O32 | C11 | doub | 1.22Å | 1.22Å | |
| C11 | C10 | sing | 1.43Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.59Å | |
| C22 | F24 | sing | 1.40Å | 1.33Å | |
| C22 | F23 | sing | 1.40Å | 1.34Å | |
| O33 | C09 | sing | 1.35Å | 1.39Å | |
| O35 | C07 | doub | 1.21Å | 1.21Å | |
| C10 | C09 | doub | 1.33Å | 1.37Å | |
| C10 | C19 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | sing | 1.51Å | 1.65Å | |
| C18 | C19 | sing | 1.53Å | 1.65Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C07 | C08 | sing | 1.52Å | 1.63Å | |
| C07 | C06 | sing | 1.46Å | 1.60Å | |
| O37 | C36 | doub | 1.22Å | 1.23Å | |
| C08 | O34 | sing | 1.43Å | 1.40Å | |
| C08 | C21 | sing | 1.53Å | 1.62Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C36 | C06 | sing | 1.47Å | 1.62Å | |
| C36 | N38 | sing | 1.35Å | 1.40Å | |
| C06 | C05 | doub | 1.37Å | 1.37Å | |
| C21 | C04 | sing | 1.52Å | 1.67Å | |
| C04 | C05 | sing | 1.50Å | 1.63Å | |
| C04 | N03 | sing | 1.47Å | 1.58Å | |
| C05 | O39 | sing | 1.34Å | 1.39Å | |
| C40 | N03 | sing | 1.47Å | 1.55Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| N03 | C01 | sing | 1.47Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H023 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | 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 | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N27 | H271 | sing | 1.01Å | 1.00Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N38 | H382 | sing | 0.97Å | 1.00Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 105.2° | 101.6° |
| C29 | C30 | C26 | 102.8° | 103.0° |
| C30 | C29 | H292 | 110.5° | 111.0° |
| C30 | C29 | H291 | 110.5° | 111.0° |
| C29 | C30 | H302 | 111.1° | 110.7° |
| C29 | C30 | H301 | 111.1° | 110.7° |
| C29 | C28 | N27 | 106.4° | 104.8° |
| C29 | C28 | H282 | 110.2° | 110.3° |
| C29 | C28 | H281 | 110.3° | 110.4° |
| C28 | C29 | H292 | 110.6° | 111.0° |
| C28 | C29 | H291 | 110.5° | 111.0° |
| C30 | C26 | N27 | 101.2° | 107.3° |
| C30 | C26 | C15 | 118.0° | 109.9° |
| C30 | C26 | H261 | 107.0° | 110.1° |
| C26 | C30 | H302 | 111.1° | 110.7° |
| C26 | C30 | H301 | 111.1° | 110.7° |
| C28 | N27 | C26 | 105.8° | 108.5° |
| N27 | C28 | H282 | 110.3° | 110.4° |
| N27 | C28 | H281 | 110.2° | 110.4° |
| C28 | N27 | H271 | 110.4° | 111.0° |
| O31 | C13 | C14 | 118.8° | 120.2° |
| O31 | C13 | C12 | 122.6° | 120.3° |
| C13 | O31 | H311 | 109.5° | 114.0° |
| N27 | C26 | C15 | 115.8° | 109.9° |
| N27 | C26 | H261 | 107.7° | 109.9° |
| C26 | N27 | H271 | 110.4° | 111.0° |
| C26 | C15 | C14 | 117.9° | 119.8° |
| C26 | C15 | C16 | 122.7° | 119.7° |
| C15 | C26 | H261 | 106.6° | 109.9° |
| C13 | C14 | C15 | 121.6° | 120.1° |
| C14 | C13 | C12 | 118.6° | 119.6° |
| C13 | C14 | H141 | 119.2° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.5° |
| C15 | C14 | H141 | 119.2° | 119.9° |
| C13 | C12 | C11 | 118.7° | 120.3° |
| C13 | C12 | C17 | 122.7° | 119.9° |
| C15 | C16 | C17 | 120.4° | 120.2° |
| C15 | C16 | C22 | 118.2° | 119.9° |
| C11 | C12 | C17 | 118.6° | 119.8° |
| C12 | C11 | O32 | 117.9° | 120.6° |
| C12 | C11 | C10 | 127.5° | 118.8° |
| C12 | C17 | C16 | 117.3° | 119.8° |
| C12 | C17 | C18 | 117.2° | 120.1° |
| C17 | C16 | C22 | 121.4° | 119.9° |
| C16 | C17 | C18 | 125.6° | 120.0° |
| C16 | C22 | F25 | 119.6° | 109.5° |
| C16 | C22 | F24 | 112.2° | 109.4° |
| C16 | C22 | F23 | 120.7° | 109.5° |
| F25 | C22 | F24 | 100.8° | 109.5° |
| F25 | C22 | F23 | 100.8° | 109.5° |
| O32 | C11 | C10 | 114.5° | 120.6° |
| C11 | C10 | C09 | 125.6° | 118.9° |
| C11 | C10 | C19 | 111.8° | 118.0° |
| C17 | C18 | C19 | 122.7° | 110.1° |
| C17 | C18 | H181 | 106.0° | 109.3° |
| C17 | C18 | H182 | 106.0° | 109.4° |
| F24 | C22 | F23 | 99.3° | 109.5° |
| O33 | C09 | C10 | 129.8° | 118.0° |
| O33 | C09 | C08 | 107.3° | 117.9° |
| C09 | O33 | H331 | 109.5° | 117.1° |
| O35 | C07 | C08 | 117.2° | 120.6° |
| O35 | C07 | C06 | 125.6° | 120.6° |
| C09 | C10 | C19 | 122.6° | 123.1° |
| C10 | C09 | C08 | 122.9° | 124.1° |
| C10 | C19 | C18 | 116.3° | 110.1° |
| C10 | C19 | C20 | 108.9° | 110.2° |
| C10 | C19 | H191 | 106.6° | 109.3° |
| C09 | C08 | C07 | 112.5° | 107.5° |
| C09 | C08 | O34 | 111.2° | 110.6° |
| C09 | C08 | C21 | 113.8° | 109.1° |
| C18 | C19 | C20 | 112.9° | 109.6° |
| C19 | C18 | H181 | 106.1° | 109.4° |
| C19 | C18 | H182 | 106.1° | 109.3° |
| C18 | C19 | H191 | 105.3° | 109.2° |
| C19 | C20 | C21 | 114.2° | 108.1° |
| C20 | C19 | H191 | 106.0° | 108.4° |
| C19 | C20 | H202 | 108.3° | 109.8° |
| C19 | C20 | H201 | 108.3° | 109.8° |
| C08 | C07 | C06 | 117.1° | 118.8° |
| C07 | C08 | O34 | 104.6° | 110.6° |
| C07 | C08 | C21 | 107.1° | 108.0° |
| C07 | C06 | C36 | 113.7° | 119.8° |
| C07 | C06 | C05 | 112.3° | 120.3° |
| O37 | C36 | C06 | 122.4° | 120.0° |
| O37 | C36 | N38 | 116.4° | 120.0° |
| O34 | C08 | C21 | 107.1° | 111.0° |
| C08 | O34 | H341 | 109.5° | 114.0° |
| C08 | C21 | C20 | 109.1° | 109.1° |
| C08 | C21 | C04 | 116.6° | 111.5° |
| C08 | C21 | H211 | 106.4° | 108.2° |
| C20 | C21 | C04 | 111.4° | 111.9° |
| C21 | C20 | H202 | 108.3° | 109.7° |
| C21 | C20 | H201 | 108.3° | 109.8° |
| C20 | C21 | H211 | 107.0° | 108.2° |
| C06 | C36 | N38 | 121.2° | 120.0° |
| C36 | C06 | C05 | 124.5° | 119.8° |
| C36 | N38 | H381 | 120.0° | 120.0° |
| C36 | N38 | H382 | 120.0° | 120.0° |
| C06 | C05 | C04 | 120.1° | 122.2° |
| C06 | C05 | O39 | 119.4° | 118.9° |
| C21 | C04 | C05 | 106.7° | 112.2° |
| C21 | C04 | N03 | 112.5° | 108.9° |
| C21 | C04 | H041 | 106.4° | 108.9° |
| C04 | C21 | H211 | 105.8° | 107.7° |
| C05 | C04 | N03 | 116.6° | 108.9° |
| C04 | C05 | O39 | 110.2° | 118.9° |
| C05 | C04 | H041 | 106.8° | 108.9° |
| C04 | N03 | C40 | 115.5° | 111.0° |
| C04 | N03 | C01 | 114.2° | 111.0° |
| N03 | C04 | H041 | 107.3° | 108.9° |
| C05 | O39 | H391 | 109.5° | 117.0° |
| N03 | C40 | C41 | 113.3° | 109.5° |
| C40 | N03 | C01 | 107.8° | 110.9° |
| N03 | C40 | H401 | 108.5° | 109.5° |
| N03 | C40 | H402 | 108.5° | 109.4° |
| C41 | C40 | H401 | 108.5° | 109.5° |
| C41 | C40 | H402 | 108.5° | 109.5° |
| C40 | C41 | H411 | 109.5° | 109.5° |
| C40 | C41 | H413 | 109.4° | 109.5° |
| C40 | C41 | H412 | 109.5° | 109.4° |
| N03 | C01 | C02 | 114.4° | 109.4° |
| N03 | C01 | H011 | 108.2° | 109.5° |
| N03 | C01 | H012 | 108.2° | 109.5° |
| C02 | C01 | H011 | 108.2° | 109.5° |
| C02 | C01 | H012 | 108.2° | 109.5° |
| C01 | C02 | H023 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H023 | C02 | H022 | 109.4° | 109.4° |
| H023 | C02 | H021 | 109.5° | 109.4° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.2° |
| H202 | C20 | H201 | 109.4° | 109.7° |
| H282 | C28 | H281 | 109.4° | 110.3° |
| H292 | C29 | H291 | 109.5° | 111.0° |
| H302 | C30 | H301 | 109.5° | 110.8° |
| H401 | C40 | H402 | 109.4° | 109.4° |
| H411 | C41 | H413 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H413 | C41 | H412 | 109.5° | 109.5° |
| H381 | N38 | H382 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H292 | 119.3° | 118.1° |
| C30 | C29 | C28 | H291 | 119.3° | 118.1° |
| C29 | C30 | C26 | H302 | 118.9° | 118.4° |
| C29 | C30 | C26 | H301 | 118.9° | 118.3° |
| C30 | C29 | C28 | N27 | 5.7° | 37.1° |
| C29 | C30 | C26 | N27 | 42.5° | 22.3° |
| C29 | C30 | C26 | C15 | 169.9° | 141.7° |
| C29 | C30 | C26 | H261 | 70.1° | 97.2° |
| C30 | C29 | C28 | H282 | 113.8° | 81.8° |
| C30 | C29 | C28 | H281 | 125.2° | 156.0° |
| C30 | C29 | H292 | H291 | 122.0° | 123.9° |
| C29 | C30 | H302 | H301 | 123.1° | 123.2° |
| C28 | C29 | C30 | C26 | 29.5° | 35.7° |
| C29 | C28 | N27 | H282 | 119.5° | 118.8° |
| C29 | C28 | N27 | H281 | 119.5° | 118.9° |
| C29 | C28 | N27 | C26 | 21.7° | 24.1° |
| C29 | C28 | H282 | H281 | 121.4° | 122.3° |
| C28 | C29 | H292 | H291 | 122.0° | 123.9° |
| C28 | C29 | C30 | H302 | 148.4° | 82.7° |
| C28 | C29 | C30 | H301 | 89.4° | 154.0° |
| C29 | C28 | N27 | H271 | 97.7° | 146.3° |
| C30 | C26 | N27 | C28 | 39.5° | 1.0° |
| C30 | C26 | N27 | C15 | 128.8° | 119.4° |
| C30 | C26 | N27 | H261 | 112.1° | 119.6° |
| C30 | C26 | C15 | H261 | 120.2° | 121.2° |
| C30 | C26 | C15 | C14 | 9.7° | 88.8° |
| C30 | C26 | C15 | C16 | 169.4° | 91.2° |
| C26 | C30 | C29 | H292 | 148.8° | 82.4° |
| C26 | C30 | C29 | H291 | 89.8° | 153.7° |
| C26 | C30 | H302 | H301 | 123.1° | 123.2° |
| C30 | C26 | N27 | H271 | 79.9° | 123.2° |
| C28 | N27 | C26 | H271 | 119.4° | 122.2° |
| C28 | N27 | C26 | C15 | 168.3° | 118.4° |
| C28 | N27 | C26 | H261 | 72.6° | 120.6° |
| N27 | C28 | H282 | H281 | 121.4° | 122.3° |
| N27 | C28 | C29 | H292 | 125.0° | 81.0° |
| N27 | C28 | C29 | H291 | 113.6° | 155.1° |
| O31 | C13 | C14 | C12 | 179.8° | 179.9° |
| O31 | C13 | C14 | C15 | 179.8° | 179.8° |
| O31 | C13 | C12 | C11 | 0.5° | 0.6° |
| O31 | C13 | C12 | C17 | 179.9° | 179.6° |
| O31 | C13 | C14 | H141 | 0.2° | 0.2° |
| N27 | C26 | C15 | H261 | 119.8° | 121.0° |
| N27 | C26 | C15 | C14 | 110.3° | 29.0° |
| N27 | C26 | C15 | C16 | 70.6° | 151.0° |
| C26 | N27 | C28 | H282 | 141.2° | 94.7° |
| C26 | N27 | C28 | H281 | 97.8° | 143.0° |
| N27 | C26 | C30 | H302 | 161.4° | 96.1° |
| N27 | C26 | C30 | H301 | 76.4° | 140.6° |
| C26 | C15 | C14 | C13 | 180.0° | 179.7° |
| C26 | C15 | C14 | C16 | 179.1° | 180.0° |
| C26 | C15 | C16 | C17 | 179.8° | 180.0° |
| C26 | C15 | C16 | C22 | 1.3° | 0.0° |
| C26 | C15 | C14 | H141 | 0.0° | 0.4° |
| C15 | C26 | C30 | H302 | 71.2° | 23.3° |
| C15 | C26 | C30 | H301 | 51.0° | 100.0° |
| C15 | C26 | N27 | H271 | 48.9° | 3.8° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.9° | 0.3° |
| C14 | C13 | C12 | C11 | 179.7° | 179.3° |
| C14 | C13 | C12 | C17 | 0.2° | 0.5° |
| C14 | C13 | O31 | H311 | 171.5° | 90.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.1° |
| C14 | C15 | C16 | C17 | 1.1° | 0.0° |
| C14 | C15 | C16 | C22 | 179.7° | 180.0° |
| C14 | C15 | C26 | H261 | 129.9° | 150.0° |
| C13 | C12 | C11 | C17 | 179.6° | 179.8° |
| C13 | C12 | C17 | C16 | 0.4° | 0.8° |
| C13 | C12 | C11 | O32 | 20.7° | 11.9° |
| C13 | C12 | C11 | C10 | 161.3° | 168.0° |
| C13 | C12 | C17 | C18 | 179.8° | 178.4° |
| C12 | C13 | C14 | H141 | 179.6° | 179.8° |
| C12 | C13 | O31 | H311 | 8.7° | 90.0° |
| C15 | C16 | C17 | C12 | 0.9° | 0.6° |
| C15 | C16 | C17 | C22 | 178.5° | 180.0° |
| C15 | C16 | C22 | F25 | 54.4° | 146.7° |
| C15 | C16 | C17 | C18 | 179.4° | 178.6° |
| C15 | C16 | C22 | F24 | 63.3° | 26.7° |
| C15 | C16 | C22 | F23 | 179.6° | 93.3° |
| C16 | C15 | C14 | H141 | 179.1° | 179.6° |
| C16 | C15 | C26 | H261 | 49.2° | 30.0° |
| C11 | C12 | C17 | C16 | 179.9° | 179.0° |
| C12 | C11 | O32 | C10 | 178.3° | 180.0° |
| C11 | C12 | C17 | C18 | 0.3° | 1.8° |
| C12 | C11 | C10 | C09 | 149.9° | 170.4° |
| C12 | C11 | C10 | C19 | 30.4° | 10.8° |
| C12 | C17 | C16 | C18 | 179.7° | 179.2° |
| C12 | C17 | C16 | C22 | 179.4° | 179.4° |
| C17 | C12 | C11 | O32 | 158.8° | 168.3° |
| C17 | C12 | C11 | C10 | 19.2° | 11.7° |
| C12 | C17 | C18 | C19 | 4.3° | 35.2° |
| C12 | C17 | C18 | H181 | 117.5° | 155.4° |
| C12 | C17 | C18 | H182 | 126.1° | 85.0° |
| C17 | C16 | C22 | F25 | 127.1° | 33.3° |
| C17 | C16 | C22 | F24 | 115.2° | 153.3° |
| C17 | C16 | C22 | F23 | 1.1° | 86.8° |
| C16 | C17 | C18 | C19 | 175.5° | 145.6° |
| C16 | C17 | C18 | H181 | 62.7° | 25.4° |
| C16 | C17 | C18 | H182 | 53.6° | 94.2° |
| C16 | C22 | F25 | F24 | 123.4° | 120.0° |
| C16 | C22 | F25 | F23 | 134.9° | 120.0° |
| C22 | C16 | C17 | C18 | 0.9° | 1.4° |
| C16 | C22 | F24 | F23 | 128.6° | 120.0° |
| F25 | C22 | F24 | F23 | 102.9° | 120.0° |
| O32 | C11 | C10 | C09 | 32.0° | 9.7° |
| O32 | C11 | C10 | C19 | 147.7° | 169.2° |
| C11 | C10 | C09 | O33 | 0.4° | 1.8° |
| C11 | C10 | C09 | C19 | 179.7° | 178.8° |
| C11 | C10 | C09 | C08 | 179.1° | 178.2° |
| C11 | C10 | C19 | C18 | 22.2° | 43.9° |
| C11 | C10 | C19 | C20 | 151.2° | 164.9° |
| C11 | C10 | C19 | H191 | 94.8° | 76.0° |
| C17 | C18 | C19 | C10 | 7.9° | 54.3° |
| C17 | C18 | C19 | H181 | 121.8° | 120.2° |
| C17 | C18 | C19 | H182 | 121.8° | 120.2° |
| C17 | C18 | C19 | C20 | 135.0° | 175.7° |
| C17 | C18 | H181 | H182 | 114.0° | 119.7° |
| C17 | C18 | C19 | H191 | 109.9° | 65.7° |
| O33 | C09 | C10 | C08 | 178.8° | 179.9° |
| O33 | C09 | C10 | C19 | 179.3° | 179.4° |
| O33 | C09 | C08 | C07 | 55.9° | 80.0° |
| O33 | C09 | C08 | O34 | 61.1° | 40.8° |
| O33 | C09 | C08 | C21 | 177.9° | 163.1° |
| O35 | C07 | C08 | C09 | 2.1° | 23.6° |
| O35 | C07 | C08 | C06 | 178.5° | 179.5° |
| O35 | C07 | C08 | O34 | 122.9° | 97.2° |
| O35 | C07 | C08 | C21 | 123.6° | 141.1° |
| O35 | C07 | C06 | C36 | 58.2° | 11.1° |
| O35 | C07 | C06 | C05 | 153.7° | 169.0° |
| C09 | C10 | C19 | C18 | 158.1° | 137.2° |
| C09 | C10 | C19 | C20 | 29.1° | 16.2° |
| C10 | C09 | C08 | C07 | 125.1° | 100.1° |
| C10 | C09 | C08 | O34 | 117.9° | 139.1° |
| C10 | C09 | C08 | C21 | 3.1° | 16.8° |
| C09 | C10 | C19 | H191 | 84.9° | 102.8° |
| C10 | C09 | O33 | H331 | 132.8° | 124.5° |
| C19 | C10 | C09 | C08 | 0.5° | 0.7° |
| C10 | C19 | C18 | C20 | 127.1° | 121.4° |
| C10 | C19 | C18 | H191 | 117.8° | 120.0° |
| C10 | C19 | C20 | H191 | 114.4° | 119.6° |
| C10 | C19 | C20 | C21 | 59.9° | 49.7° |
| C10 | C19 | C18 | H181 | 129.7° | 174.5° |
| C10 | C19 | C18 | H182 | 113.9° | 66.0° |
| C10 | C19 | C20 | H202 | 179.3° | 169.4° |
| C10 | C19 | C20 | H201 | 60.8° | 70.0° |
| C09 | C08 | C07 | O34 | 120.9° | 120.8° |
| C09 | C08 | C07 | C21 | 125.7° | 117.6° |
| C09 | C08 | C07 | C06 | 179.5° | 157.0° |
| C09 | C08 | O34 | C21 | 124.9° | 121.2° |
| C09 | C08 | C21 | C20 | 24.6° | 50.9° |
| C09 | C08 | C21 | C04 | 151.7° | 175.0° |
| C09 | C08 | C21 | H211 | 90.5° | 66.7° |
| C08 | C09 | O33 | H331 | 48.3° | 55.4° |
| C09 | C08 | O34 | H341 | 180.0° | 54.6° |
| C18 | C19 | C20 | H191 | 114.8° | 119.1° |
| C18 | C19 | C20 | C21 | 169.2° | 171.0° |
| C19 | C18 | H181 | H182 | 114.1° | 119.6° |
| C18 | C19 | C20 | H202 | 48.5° | 69.3° |
| C18 | C19 | C20 | H201 | 70.1° | 51.4° |
| C19 | C20 | C21 | C08 | 57.1° | 69.6° |
| C19 | C20 | C21 | H202 | 120.7° | 119.7° |
| C19 | C20 | C21 | H201 | 120.7° | 119.7° |
| C19 | C20 | C21 | C04 | 172.8° | 166.5° |
| C20 | C19 | C18 | H181 | 103.3° | 64.1° |
| C20 | C19 | C18 | H182 | 13.1° | 55.4° |
| C19 | C20 | H202 | H201 | 117.8° | 120.7° |
| C19 | C20 | C21 | H211 | 57.5° | 47.9° |
| C07 | C08 | O34 | C21 | 113.5° | 119.8° |
| C07 | C08 | C21 | C20 | 100.4° | 65.7° |
| C08 | C07 | C06 | C36 | 123.5° | 168.4° |
| C08 | C07 | C06 | C05 | 24.6° | 11.6° |
| C07 | C08 | C21 | C04 | 26.8° | 58.4° |
| C07 | C08 | C21 | H211 | 144.5° | 176.8° |
| C07 | C08 | O34 | H341 | 58.3° | 64.4° |
| C07 | C06 | C36 | O37 | 73.7° | 80.9° |
| C06 | C07 | C08 | O34 | 58.6° | 82.2° |
| C06 | C07 | C08 | C21 | 54.8° | 39.4° |
| C07 | C06 | C36 | C05 | 143.6° | 180.0° |
| C07 | C06 | C36 | N38 | 105.1° | 99.1° |
| C07 | C06 | C05 | C04 | 36.3° | 1.3° |
| C07 | C06 | C05 | O39 | 105.3° | 178.7° |
| O37 | C36 | C06 | N38 | 178.8° | 180.0° |
| O37 | C36 | C06 | C05 | 142.7° | 99.1° |
| O37 | C36 | N38 | H381 | 0.0° | 175.0° |
| O37 | C36 | N38 | H382 | 180.0° | 5.0° |
| O34 | C08 | C21 | C20 | 147.9° | 172.9° |
| O34 | C08 | C21 | C04 | 85.0° | 62.9° |
| O34 | C08 | C21 | H211 | 32.8° | 55.4° |
| C08 | C21 | C20 | C04 | 130.1° | 123.9° |
| C08 | C21 | C20 | H211 | 114.7° | 117.5° |
| C08 | C21 | C04 | H211 | 118.0° | 118.6° |
| C08 | C21 | C04 | C05 | 21.2° | 50.2° |
| C08 | C21 | C04 | N03 | 150.3° | 70.5° |
| C08 | C21 | C04 | H041 | 92.5° | 170.9° |
| C08 | C21 | C20 | H202 | 177.9° | 170.7° |
| C08 | C21 | C20 | H201 | 63.6° | 50.1° |
| C21 | C08 | O34 | H341 | 55.1° | 175.8° |
| C20 | C21 | C04 | H211 | 116.0° | 118.8° |
| C20 | C21 | C04 | C05 | 147.3° | 72.4° |
| C20 | C21 | C04 | N03 | 83.7° | 166.9° |
| C20 | C21 | C04 | H041 | 33.5° | 48.3° |
| C21 | C20 | C19 | H191 | 54.4° | 69.8° |
| C21 | C20 | H202 | H201 | 117.8° | 120.6° |
| C36 | C06 | C05 | C04 | 179.6° | 178.6° |
| C36 | C06 | C05 | O39 | 38.8° | 1.4° |
| C06 | C36 | N38 | H381 | 178.9° | 5.0° |
| C06 | C36 | N38 | H382 | 1.2° | 175.0° |
| N38 | C36 | C06 | C05 | 38.5° | 80.9° |
| C36 | N38 | H381 | H382 | 179.9° | 180.0° |
| C06 | C05 | C04 | C21 | 60.1° | 21.0° |
| C06 | C05 | C04 | O39 | 144.8° | 180.0° |
| C06 | C05 | C04 | N03 | 173.3° | 99.7° |
| C06 | C05 | C04 | H041 | 53.4° | 141.6° |
| C06 | C05 | O39 | H391 | 180.0° | 5.1° |
| C21 | C04 | C05 | N03 | 126.6° | 120.7° |
| C21 | C04 | C05 | H041 | 113.5° | 120.6° |
| C21 | C04 | N03 | H041 | 116.6° | 118.6° |
| C21 | C04 | C05 | O39 | 84.7° | 159.0° |
| C21 | C04 | N03 | C40 | 74.6° | 68.2° |
| C21 | C04 | N03 | C01 | 159.4° | 167.9° |
| C04 | C21 | C20 | H202 | 52.1° | 46.8° |
| C04 | C21 | C20 | H201 | 66.5° | 73.8° |
| C05 | C04 | N03 | H041 | 119.6° | 118.7° |
| C05 | C04 | N03 | C40 | 161.7° | 169.1° |
| C05 | C04 | N03 | C01 | 35.7° | 45.2° |
| C05 | C04 | C21 | H211 | 96.8° | 168.8° |
| C04 | C05 | O39 | H391 | 34.9° | 174.9° |
| N03 | C04 | C05 | O39 | 41.9° | 80.3° |
| C04 | N03 | C40 | C01 | 129.2° | 124.0° |
| C04 | N03 | C40 | C41 | 103.8° | 170.0° |
| C04 | N03 | C01 | C02 | 55.3° | 87.9° |
| C04 | N03 | C01 | H011 | 65.4° | 32.1° |
| C04 | N03 | C01 | H012 | 176.0° | 152.1° |
| N03 | C04 | C21 | H211 | 32.3° | 48.1° |
| C04 | N03 | C40 | H401 | 16.8° | 70.0° |
| C04 | N03 | C40 | H402 | 135.6° | 49.9° |
| O39 | C05 | C04 | H041 | 161.8° | 38.4° |
| N03 | C40 | C41 | H401 | 120.6° | 120.0° |
| N03 | C40 | C41 | H402 | 120.6° | 120.0° |
| C40 | N03 | C01 | C02 | 74.6° | 148.2° |
| C40 | N03 | C01 | H011 | 164.7° | 91.9° |
| C40 | N03 | C01 | H012 | 46.1° | 28.2° |
| C40 | N03 | C04 | H041 | 42.0° | 50.4° |
| N03 | C40 | H401 | H402 | 118.2° | 119.9° |
| N03 | C40 | C41 | H411 | 180.0° | 180.0° |
| N03 | C40 | C41 | H413 | 60.0° | 60.0° |
| N03 | C40 | C41 | H412 | 60.0° | 60.0° |
| C41 | C40 | N03 | C01 | 127.1° | 66.0° |
| C41 | C40 | H401 | H402 | 118.3° | 120.0° |
| C40 | C41 | H411 | H413 | 120.0° | 120.0° |
| C40 | C41 | H411 | H412 | 120.0° | 120.0° |
| C40 | C41 | H413 | H412 | 120.0° | 119.9° |
| N03 | C01 | C02 | H011 | 120.7° | 120.0° |
| N03 | C01 | C02 | H012 | 120.7° | 120.0° |
| N03 | C01 | H011 | H012 | 117.8° | 120.1° |
| N03 | C01 | C02 | H023 | 180.0° | 173.4° |
| N03 | C01 | C02 | H022 | 60.0° | 66.7° |
| N03 | C01 | C02 | H021 | 60.0° | 53.4° |
| C01 | N03 | C04 | H041 | 83.9° | 73.5° |
| C01 | N03 | C40 | H401 | 112.3° | 54.0° |
| C01 | N03 | C40 | H402 | 6.5° | 173.9° |
| C02 | C01 | H011 | H012 | 117.8° | 120.0° |
| C01 | C02 | H023 | H022 | 120.0° | 120.0° |
| C01 | C02 | H023 | H021 | 120.0° | 120.1° |
| C01 | C02 | H022 | H021 | 120.0° | 120.1° |
| H011 | C01 | C02 | H023 | 59.3° | 66.7° |
| H011 | C01 | C02 | H022 | 179.3° | 53.3° |
| H011 | C01 | C02 | H021 | 60.7° | 173.3° |
| H012 | C01 | C02 | H023 | 59.3° | 53.3° |
| H012 | C01 | C02 | H022 | 60.7° | 173.3° |
| H012 | C01 | C02 | H021 | 179.3° | 66.7° |
| H023 | C02 | H022 | H021 | 120.0° | 119.9° |
| H041 | C04 | C21 | H211 | 149.5° | 70.5° |
| H181 | C18 | C19 | H191 | 11.9° | 54.5° |
| H182 | C18 | C19 | H191 | 128.3° | 174.1° |
| H191 | C19 | C20 | H202 | 66.3° | 49.8° |
| H191 | C19 | C20 | H201 | 175.2° | 170.5° |
| H202 | C20 | C21 | H211 | 63.2° | 71.7° |
| H201 | C20 | C21 | H211 | 178.3° | 167.7° |
| H261 | C26 | C30 | H302 | 48.8° | 144.4° |
| H261 | C26 | C30 | H301 | 170.9° | 21.1° |
| H261 | C26 | N27 | H271 | 168.0° | 117.2° |
| H282 | C28 | C29 | H292 | 5.5° | 160.1° |
| H282 | C28 | C29 | H291 | 126.8° | 36.3° |
| H282 | C28 | N27 | H271 | 21.8° | 27.5° |
| H281 | C28 | C29 | H292 | 115.5° | 37.9° |
| H281 | C28 | C29 | H291 | 5.9° | 86.0° |
| H281 | C28 | N27 | H271 | 142.8° | 94.8° |
| H292 | C29 | C30 | H302 | 92.3° | 159.2° |
| H292 | C29 | C30 | H301 | 29.9° | 36.0° |
| H291 | C29 | C30 | H302 | 29.1° | 35.3° |
| H291 | C29 | C30 | H301 | 151.3° | 87.9° |
| H401 | C40 | C41 | H411 | 59.4° | 60.0° |
| H401 | C40 | C41 | H413 | 179.4° | 60.0° |
| H401 | C40 | C41 | H412 | 60.6° | 180.0° |
| H402 | C40 | C41 | H411 | 59.4° | 60.0° |
| H402 | C40 | C41 | H413 | 60.6° | 180.0° |
| H402 | C40 | C41 | H412 | 179.4° | 60.0° |
| H411 | C41 | H413 | H412 | 120.0° | 120.1° |
