A1AWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| C04 | N03 | sing | 1.36Å | 1.45Å | |
| N05 | C04 | sing | 1.37Å | 1.46Å | |
| N06 | C04 | doub | 1.31Å | 1.47Å | |
| C07 | N06 | sing | 1.34Å | 1.49Å | |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| N09 | C08 | sing | 1.36Å | 1.34Å | Aromatic |
| C10 | N09 | doub | 1.30Å | 1.32Å | Aromatic |
| N11 | C10 | sing | 1.36Å | 1.33Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 1.47Å | |
| O13 | C12 | sing | 1.44Å | 1.54Å | |
| C14 | C12 | sing | 1.54Å | 1.57Å | |
| P16 | O15 | sing | 1.61Å | 1.66Å | |
| C18 | O17 | sing | 1.43Å | 1.41Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.55Å | 1.33Å | |
| O21 | C20 | sing | 1.43Å | 1.41Å | |
| C22 | C20 | sing | 1.55Å | 1.59Å | |
| O23 | C22 | sing | 1.43Å | 1.40Å | |
| C24 | C22 | sing | 1.54Å | 1.34Å | |
| C26 | N25 | sing | 1.36Å | 1.33Å | Aromatic |
| N27 | C26 | doub | 1.30Å | 1.33Å | Aromatic |
| C28 | N27 | sing | 1.36Å | 1.35Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| N30 | C29 | sing | 1.38Å | 1.47Å | |
| N31 | C29 | sing | 1.33Å | 1.33Å | Aromatic |
| C32 | N31 | doub | 1.32Å | 1.33Å | Aromatic |
| N33 | C32 | sing | 1.32Å | 1.33Å | Aromatic |
| C34 | N33 | doub | 1.33Å | 1.35Å | Aromatic |
| N25 | C24 | sing | 1.46Å | 1.47Å | |
| O35 | C24 | sing | 1.44Å | 1.55Å | |
| O17 | P16 | sing | 1.61Å | 1.65Å | |
| O36 | P16 | doub | 1.48Å | 1.51Å | |
| O37 | P16 | sing | 1.61Å | 1.52Å | |
| O15 | C14 | sing | 1.43Å | 1.41Å | |
| C38 | C14 | sing | 1.55Å | 1.30Å | |
| O39 | C38 | sing | 1.43Å | 1.41Å | |
| C40 | C38 | sing | 1.55Å | 1.64Å | |
| C41 | C40 | sing | 1.53Å | 1.55Å | |
| O42 | C41 | sing | 1.43Å | 1.41Å | |
| C02 | C08 | sing | 1.41Å | 1.53Å | |
| C07 | N11 | sing | 1.37Å | 1.34Å | Aromatic |
| O13 | C40 | sing | 1.45Å | 1.31Å | |
| C19 | O35 | sing | 1.44Å | 1.55Å | |
| N25 | C34 | sing | 1.37Å | 1.35Å | Aromatic |
| C28 | C34 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| N30 | H302 | sing | 0.97Å | 1.00Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O37 | H1 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 120.1° | 120.8° |
| O01 | C02 | C08 | 119.7° | 120.8° |
| C02 | N03 | C04 | 119.6° | 120.3° |
| N03 | C02 | C08 | 120.1° | 118.4° |
| C02 | N03 | H031 | 120.2° | 119.8° |
| N03 | C04 | N05 | 119.7° | 119.1° |
| N03 | C04 | N06 | 120.2° | 121.9° |
| C04 | N03 | H031 | 120.2° | 119.8° |
| N05 | C04 | N06 | 120.1° | 119.0° |
| C04 | N05 | H052 | 120.0° | 120.0° |
| C04 | N05 | H051 | 120.0° | 120.0° |
| C04 | N06 | C07 | 120.3° | 121.1° |
| N06 | C07 | C08 | 119.4° | 119.7° |
| N06 | C07 | N11 | 133.7° | 134.2° |
| C07 | C08 | N09 | 106.8° | 107.3° |
| C07 | C08 | C02 | 120.3° | 118.6° |
| C08 | C07 | N11 | 106.9° | 106.1° |
| C08 | N09 | C10 | 108.6° | 109.3° |
| N09 | C08 | C02 | 132.9° | 134.1° |
| N09 | C10 | N11 | 109.7° | 109.8° |
| N09 | C10 | H101 | 125.1° | 125.1° |
| C10 | N11 | C12 | 124.4° | 126.3° |
| C10 | N11 | C07 | 108.1° | 107.5° |
| N11 | C10 | H101 | 125.1° | 125.1° |
| N11 | C12 | O13 | 79.0° | 109.9° |
| N11 | C12 | C14 | 138.9° | 109.9° |
| C12 | N11 | C07 | 127.5° | 126.2° |
| N11 | C12 | H121 | 109.2° | 109.9° |
| O13 | C12 | C14 | 105.2° | 107.4° |
| C12 | O13 | C40 | 103.5° | 106.9° |
| O13 | C12 | H121 | 108.4° | 109.9° |
| C12 | C14 | O15 | 112.5° | 110.5° |
| C12 | C14 | C38 | 106.2° | 104.2° |
| C14 | C12 | H121 | 108.0° | 109.9° |
| C12 | C14 | H141 | 107.5° | 110.5° |
| O15 | P16 | O17 | 110.6° | 109.5° |
| O15 | P16 | O36 | 111.1° | 109.4° |
| O15 | P16 | O37 | 108.9° | 109.5° |
| P16 | O15 | C14 | 122.5° | 123.0° |
| O17 | C18 | C19 | 110.9° | 109.5° |
| C18 | O17 | P16 | 119.9° | 123.0° |
| O17 | C18 | H182 | 109.1° | 109.5° |
| O17 | C18 | H181 | 109.1° | 109.4° |
| C18 | C19 | C20 | 111.7° | 110.6° |
| C18 | C19 | O35 | 109.6° | 110.6° |
| C19 | C18 | H182 | 109.1° | 109.5° |
| C19 | C18 | H181 | 109.1° | 109.5° |
| C18 | C19 | H191 | 110.3° | 110.6° |
| C19 | C20 | O21 | 113.3° | 110.9° |
| C19 | C20 | C22 | 101.5° | 102.1° |
| C20 | C19 | O35 | 100.6° | 103.5° |
| C20 | C19 | H191 | 113.9° | 110.8° |
| C19 | C20 | H201 | 111.5° | 110.9° |
| O21 | C20 | C22 | 112.2° | 110.9° |
| O21 | C20 | H201 | 110.1° | 110.9° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| C20 | C22 | O23 | 109.5° | 110.5° |
| C20 | C22 | C24 | 102.2° | 104.2° |
| C22 | C20 | H201 | 107.8° | 110.9° |
| C20 | C22 | H221 | 109.0° | 110.5° |
| O23 | C22 | C24 | 111.3° | 110.5° |
| O23 | C22 | H221 | 111.6° | 110.4° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| C22 | C24 | N25 | 137.6° | 109.9° |
| C22 | C24 | O35 | 104.4° | 107.3° |
| C24 | C22 | H221 | 112.8° | 110.5° |
| C22 | C24 | H241 | 110.3° | 109.9° |
| N25 | C26 | N27 | 110.0° | 110.0° |
| C26 | N25 | C24 | 127.9° | 126.3° |
| C26 | N25 | C34 | 107.8° | 107.4° |
| N25 | C26 | H261 | 125.0° | 125.1° |
| C26 | N27 | C28 | 107.9° | 109.4° |
| N27 | C26 | H261 | 125.0° | 124.9° |
| N27 | C28 | C29 | 134.8° | 134.7° |
| N27 | C28 | C34 | 107.2° | 107.2° |
| C28 | C29 | N30 | 120.2° | 120.8° |
| C28 | C29 | N31 | 119.5° | 118.4° |
| C29 | C28 | C34 | 118.1° | 118.2° |
| N30 | C29 | N31 | 120.2° | 120.8° |
| C29 | N30 | H301 | 109.5° | 120.0° |
| C29 | N30 | H302 | 109.5° | 120.0° |
| C29 | N31 | C32 | 120.4° | 121.2° |
| N31 | C32 | N33 | 122.0° | 122.5° |
| N31 | C32 | H321 | 119.0° | 118.7° |
| C32 | N33 | C34 | 120.7° | 120.6° |
| N33 | C32 | H321 | 119.0° | 118.8° |
| N33 | C34 | N25 | 133.6° | 134.9° |
| N33 | C34 | C28 | 119.3° | 119.1° |
| N25 | C24 | O35 | 79.6° | 110.0° |
| C24 | N25 | C34 | 124.3° | 126.3° |
| N25 | C24 | H241 | 108.3° | 109.9° |
| C24 | O35 | C19 | 103.9° | 107.0° |
| O35 | C24 | H241 | 107.4° | 109.9° |
| O17 | P16 | O36 | 109.5° | 109.4° |
| O17 | P16 | O37 | 108.4° | 109.5° |
| O36 | P16 | O37 | 108.3° | 109.5° |
| P16 | O37 | H1 | 109.5° | 114.0° |
| O15 | C14 | C38 | 109.5° | 110.6° |
| O15 | C14 | H141 | 109.6° | 110.4° |
| C14 | C38 | O39 | 110.6° | 110.9° |
| C14 | C38 | C40 | 108.1° | 102.1° |
| C38 | C14 | H141 | 111.5° | 110.4° |
| C14 | C38 | H381 | 111.6° | 110.9° |
| O39 | C38 | C40 | 110.0° | 110.9° |
| O39 | C38 | H381 | 109.7° | 110.8° |
| C38 | O39 | H391 | 109.5° | 114.1° |
| C38 | C40 | C41 | 109.2° | 110.6° |
| C38 | C40 | O13 | 107.0° | 103.5° |
| C40 | C38 | H381 | 106.8° | 110.9° |
| C38 | C40 | H401 | 108.0° | 110.6° |
| C40 | C41 | O42 | 108.3° | 109.5° |
| C41 | C40 | O13 | 110.5° | 110.8° |
| C41 | C40 | H401 | 109.2° | 110.6° |
| C40 | C41 | H412 | 109.8° | 109.5° |
| C40 | C41 | H411 | 109.8° | 109.5° |
| O42 | C41 | H412 | 109.8° | 109.5° |
| O42 | C41 | H411 | 109.8° | 109.5° |
| C41 | O42 | H421 | 109.5° | 114.0° |
| O13 | C40 | H401 | 112.8° | 110.5° |
| O35 | C19 | H191 | 110.3° | 110.6° |
| N25 | C34 | C28 | 107.1° | 106.0° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H052 | N05 | H051 | 120.0° | 120.0° |
| H301 | N30 | H302 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C08 | 179.8° | 179.7° |
| O01 | C02 | N03 | C04 | 180.0° | 180.0° |
| O01 | C02 | C08 | C07 | 179.9° | 180.0° |
| O01 | C02 | C08 | N09 | 0.2° | 0.1° |
| O01 | C02 | N03 | H031 | 0.0° | 0.1° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | N05 | 179.9° | 180.0° |
| C02 | N03 | C04 | N06 | 0.2° | 0.0° |
| N03 | C02 | C08 | C07 | 0.2° | 0.3° |
| N03 | C02 | C08 | N09 | 180.0° | 179.7° |
| N03 | C04 | N05 | N06 | 180.0° | 180.0° |
| N03 | C04 | N06 | C07 | 0.0° | 0.3° |
| C04 | N03 | C02 | C08 | 0.2° | 0.3° |
| N03 | C04 | N05 | H052 | 179.9° | 0.0° |
| N03 | C04 | N05 | H051 | 0.0° | 180.0° |
| N05 | C04 | N06 | C07 | 180.0° | 179.7° |
| N05 | C04 | N03 | H031 | 0.1° | 0.0° |
| C04 | N05 | H052 | H051 | 180.0° | 180.0° |
| C04 | N06 | C07 | C08 | 0.0° | 0.3° |
| C04 | N06 | C07 | N11 | 179.7° | 180.0° |
| N06 | C04 | N03 | H031 | 179.8° | 180.0° |
| N06 | C04 | N05 | H052 | 0.0° | 180.0° |
| N06 | C04 | N05 | H051 | 180.0° | 0.0° |
| N06 | C07 | C08 | N11 | 179.8° | 179.7° |
| N06 | C07 | C08 | N09 | 180.0° | 180.0° |
| N06 | C07 | N11 | C10 | 179.9° | 180.0° |
| N06 | C07 | N11 | C12 | 0.8° | 0.1° |
| N06 | C07 | C08 | C02 | 0.1° | 0.0° |
| C07 | C08 | N09 | C02 | 179.9° | 180.0° |
| C07 | C08 | N09 | C10 | 0.1° | 0.1° |
| C08 | C07 | N11 | C10 | 0.4° | 0.3° |
| C08 | C07 | N11 | C12 | 179.5° | 179.8° |
| C08 | N09 | C10 | N11 | 0.2° | 0.1° |
| N09 | C08 | C07 | N11 | 0.3° | 0.2° |
| C08 | N09 | C10 | H101 | 179.8° | 180.0° |
| N09 | C10 | N11 | H101 | 180.0° | 179.9° |
| N09 | C10 | N11 | C12 | 179.5° | 179.8° |
| C10 | N09 | C08 | C02 | 179.9° | 179.9° |
| N09 | C10 | N11 | C07 | 0.3° | 0.3° |
| C10 | N11 | C12 | C07 | 179.0° | 179.9° |
| C10 | N11 | C12 | O13 | 120.2° | 23.2° |
| C10 | N11 | C12 | C14 | 139.3° | 94.8° |
| C10 | N11 | C12 | H121 | 14.4° | 144.2° |
| N11 | C12 | O13 | C14 | 138.0° | 119.5° |
| N11 | C12 | O13 | H121 | 106.8° | 121.1° |
| N11 | C12 | C14 | H121 | 153.9° | 121.0° |
| N11 | C12 | C14 | O15 | 132.1° | 119.8° |
| N11 | C12 | C14 | C38 | 108.1° | 121.4° |
| N11 | C12 | O13 | C40 | 168.8° | 145.8° |
| C12 | N11 | C10 | H101 | 0.5° | 0.0° |
| N11 | C12 | C14 | H141 | 11.3° | 2.8° |
| O13 | C12 | C14 | H121 | 115.5° | 119.5° |
| O13 | C12 | C14 | O15 | 137.3° | 120.8° |
| O13 | C12 | C14 | C38 | 17.6° | 2.0° |
| C12 | O13 | C40 | C38 | 30.3° | 39.9° |
| C12 | O13 | C40 | C41 | 149.2° | 158.5° |
| O13 | C12 | N11 | C07 | 60.8° | 156.7° |
| O13 | C12 | C14 | H141 | 101.9° | 116.7° |
| C12 | O13 | C40 | H401 | 88.3° | 78.6° |
| C12 | C14 | O15 | P16 | 14.7° | 120.0° |
| C12 | C14 | O15 | C38 | 117.8° | 114.8° |
| C12 | C14 | O15 | H141 | 119.6° | 122.6° |
| C12 | C14 | C38 | H141 | 116.8° | 118.7° |
| C12 | C14 | C38 | O39 | 120.5° | 97.4° |
| C12 | C14 | C38 | C40 | 0.0° | 20.9° |
| C14 | C12 | N11 | C07 | 39.7° | 85.4° |
| C14 | C12 | O13 | C40 | 30.8° | 26.3° |
| C12 | C14 | C38 | H381 | 117.2° | 139.1° |
| O15 | P16 | O17 | C18 | 69.0° | 175.0° |
| O15 | P16 | O17 | O36 | 122.7° | 120.0° |
| O15 | P16 | O17 | O37 | 119.3° | 120.0° |
| O15 | P16 | O36 | O37 | 119.6° | 120.0° |
| P16 | O15 | C14 | C38 | 132.5° | 125.2° |
| P16 | O15 | C14 | H141 | 104.9° | 2.6° |
| O15 | P16 | O37 | H1 | 121.0° | 60.1° |
| O17 | C18 | C19 | H182 | 120.2° | 120.0° |
| O17 | C18 | C19 | H181 | 120.2° | 120.0° |
| O17 | C18 | C19 | C20 | 24.2° | 179.5° |
| C18 | O17 | P16 | O36 | 168.3° | 55.1° |
| C18 | O17 | P16 | O37 | 50.3° | 64.9° |
| O17 | C18 | C19 | O35 | 134.8° | 66.5° |
| O17 | C18 | H182 | H181 | 119.3° | 120.0° |
| O17 | C18 | C19 | H191 | 103.5° | 56.5° |
| C18 | C19 | C20 | O35 | 116.2° | 118.5° |
| C18 | C19 | C20 | H191 | 125.8° | 122.9° |
| C18 | C19 | C20 | O21 | 50.9° | 37.3° |
| C18 | C19 | C20 | C22 | 69.7° | 155.5° |
| C18 | C19 | O35 | C24 | 89.1° | 158.5° |
| C19 | C18 | O17 | P16 | 108.3° | 180.0° |
| C18 | C19 | O35 | H191 | 121.7° | 122.9° |
| C19 | C18 | H182 | H181 | 119.4° | 120.0° |
| C18 | C19 | C20 | H201 | 175.8° | 86.3° |
| C19 | C20 | O21 | C22 | 114.3° | 112.7° |
| C19 | C20 | O21 | H201 | 125.6° | 123.6° |
| C19 | C20 | C22 | H201 | 117.3° | 118.2° |
| C19 | C20 | C22 | O23 | 171.8° | 97.9° |
| C19 | C20 | C22 | C24 | 53.7° | 20.9° |
| C20 | C19 | O35 | C24 | 28.7° | 40.1° |
| C20 | C19 | O35 | H191 | 120.5° | 118.7° |
| C20 | C19 | C18 | H182 | 144.5° | 59.5° |
| C20 | C19 | C18 | H181 | 96.0° | 60.5° |
| C19 | C20 | C22 | H221 | 65.9° | 139.6° |
| C19 | C20 | O21 | H211 | 180.0° | 179.9° |
| O21 | C20 | C22 | H201 | 121.4° | 123.6° |
| O21 | C20 | C22 | O23 | 66.8° | 143.9° |
| O21 | C20 | C22 | C24 | 175.0° | 97.3° |
| O21 | C20 | C19 | O35 | 167.1° | 81.2° |
| O21 | C20 | C19 | H191 | 75.0° | 160.2° |
| O21 | C20 | C22 | H221 | 55.5° | 21.4° |
| C20 | C22 | O23 | C24 | 112.2° | 114.8° |
| C20 | C22 | O23 | H221 | 120.8° | 122.6° |
| C20 | C22 | C24 | H221 | 116.8° | 118.7° |
| C20 | C22 | C24 | N25 | 58.7° | 117.5° |
| C20 | C22 | C24 | O35 | 31.6° | 2.1° |
| C22 | C20 | C19 | O35 | 46.6° | 37.0° |
| C22 | C20 | C19 | H191 | 164.5° | 81.5° |
| C20 | C22 | C24 | H241 | 146.7° | 121.5° |
| C22 | C20 | O21 | H211 | 65.7° | 67.4° |
| C20 | C22 | O23 | H231 | 180.0° | 61.5° |
| O23 | C22 | C24 | H221 | 126.4° | 122.5° |
| O23 | C22 | C24 | N25 | 58.1° | 1.2° |
| O23 | C22 | C24 | O35 | 148.4° | 120.8° |
| O23 | C22 | C20 | H201 | 54.5° | 20.2° |
| O23 | C22 | C24 | H241 | 96.5° | 119.8° |
| C22 | C24 | N25 | C26 | 64.2° | 95.0° |
| C22 | C24 | N25 | O35 | 100.0° | 117.9° |
| C22 | C24 | N25 | H241 | 155.0° | 121.0° |
| C22 | C24 | O35 | H241 | 117.1° | 119.4° |
| C22 | C24 | O35 | C19 | 5.4° | 26.6° |
| C22 | C24 | N25 | C34 | 113.1° | 85.0° |
| C24 | C22 | C20 | H201 | 63.6° | 139.0° |
| C24 | C22 | O23 | H231 | 67.8° | 176.3° |
| N25 | C26 | N27 | H261 | 180.0° | 179.8° |
| N25 | C26 | N27 | C28 | 0.8° | 0.1° |
| C26 | N25 | C34 | N33 | 179.7° | 179.9° |
| C26 | N25 | C24 | C34 | 177.3° | 180.0° |
| C26 | N25 | C24 | O35 | 35.8° | 22.9° |
| C26 | N25 | C34 | C28 | 0.9° | 0.4° |
| C26 | N25 | C24 | H241 | 140.8° | 144.0° |
| C26 | N27 | C28 | C29 | 180.0° | 180.0° |
| N27 | C26 | N25 | C24 | 178.6° | 179.8° |
| N27 | C26 | N25 | C34 | 1.0° | 0.2° |
| C26 | N27 | C28 | C34 | 0.2° | 0.3° |
| N27 | C28 | C29 | C34 | 179.7° | 179.7° |
| N27 | C28 | C29 | N30 | 0.1° | 0.0° |
| N27 | C28 | C29 | N31 | 179.8° | 179.9° |
| N27 | C28 | C34 | N33 | 179.9° | 180.0° |
| N27 | C28 | C34 | N25 | 0.4° | 0.4° |
| C28 | N27 | C26 | H261 | 179.2° | 179.7° |
| C28 | C29 | N30 | N31 | 179.9° | 179.9° |
| C28 | C29 | N31 | C32 | 0.0° | 0.1° |
| C29 | C28 | C34 | N33 | 0.1° | 0.2° |
| C29 | C28 | C34 | N25 | 179.4° | 179.8° |
| C28 | C29 | N30 | H301 | 179.9° | 0.1° |
| C28 | C29 | N30 | H302 | 60.1° | 180.0° |
| N30 | C29 | N31 | C32 | 180.0° | 180.0° |
| N30 | C29 | C28 | C34 | 179.8° | 179.7° |
| C29 | N30 | H301 | H302 | 120.0° | 180.0° |
| C29 | N31 | C32 | N33 | 0.1° | 0.4° |
| N31 | C29 | C28 | C34 | 0.1° | 0.2° |
| C29 | N31 | C32 | H321 | 179.8° | 179.9° |
| N31 | C29 | N30 | H301 | 0.0° | 180.0° |
| N31 | C29 | N30 | H302 | 120.0° | 0.0° |
| N31 | C32 | N33 | H321 | 180.0° | 179.7° |
| N31 | C32 | N33 | C34 | 0.1° | 0.4° |
| C32 | N33 | C34 | N25 | 179.3° | 179.4° |
| C32 | N33 | C34 | C28 | 0.0° | 0.1° |
| N33 | C34 | N25 | C24 | 2.0° | 0.1° |
| N33 | C34 | N25 | C28 | 179.4° | 179.5° |
| C34 | N33 | C32 | H321 | 179.9° | 179.9° |
| N25 | C24 | O35 | H241 | 106.1° | 121.1° |
| N25 | C24 | O35 | C19 | 131.3° | 93.0° |
| C24 | N25 | C34 | C28 | 178.6° | 179.6° |
| N25 | C24 | C22 | H221 | 175.5° | 123.7° |
| C24 | N25 | C26 | H261 | 1.4° | 0.0° |
| O35 | C24 | N25 | C34 | 146.9° | 157.1° |
| C24 | O35 | C19 | H191 | 149.2° | 78.6° |
| O35 | C24 | C22 | H221 | 85.3° | 116.7° |
| O17 | P16 | O36 | O37 | 118.0° | 120.0° |
| O17 | P16 | O15 | C14 | 89.4° | 174.9° |
| P16 | O17 | C18 | H182 | 11.9° | 59.9° |
| P16 | O17 | C18 | H181 | 131.5° | 60.0° |
| O17 | P16 | O37 | H1 | 118.7° | 60.0° |
| O36 | P16 | O15 | C14 | 32.4° | 55.0° |
| O36 | P16 | O37 | H1 | 0.0° | 180.0° |
| O37 | P16 | O15 | C14 | 151.6° | 65.0° |
| O15 | C14 | C38 | H141 | 121.5° | 122.5° |
| O15 | C14 | C38 | O39 | 117.8° | 143.9° |
| O15 | C14 | C38 | C40 | 121.7° | 97.9° |
| O15 | C14 | C12 | H121 | 21.8° | 1.3° |
| O15 | C14 | C38 | H381 | 4.5° | 20.3° |
| C14 | C38 | O39 | C40 | 119.3° | 112.7° |
| C14 | C38 | O39 | H381 | 123.4° | 123.6° |
| C14 | C38 | C40 | H381 | 120.2° | 118.2° |
| C14 | C38 | C40 | C41 | 140.6° | 155.7° |
| C14 | C38 | C40 | O13 | 20.9° | 36.9° |
| C38 | C14 | C12 | H121 | 98.0° | 117.5° |
| C14 | C38 | C40 | H401 | 100.8° | 81.5° |
| C14 | C38 | O39 | H391 | 180.0° | 180.0° |
| O39 | C38 | C40 | H381 | 119.0° | 123.6° |
| O39 | C38 | C40 | C41 | 19.7° | 37.4° |
| O39 | C38 | C40 | O13 | 99.9° | 81.3° |
| O39 | C38 | C14 | H141 | 3.7° | 21.4° |
| O39 | C38 | C40 | H401 | 138.4° | 160.3° |
| C38 | C40 | C41 | O13 | 117.5° | 114.2° |
| C38 | C40 | C41 | H401 | 117.9° | 122.9° |
| C38 | C40 | C41 | O42 | 129.3° | 175.0° |
| C38 | C40 | O13 | H401 | 118.7° | 118.5° |
| C40 | C38 | C14 | H141 | 116.8° | 139.6° |
| C38 | C40 | C41 | H412 | 9.5° | 55.0° |
| C38 | C40 | C41 | H411 | 110.9° | 65.0° |
| C40 | C38 | O39 | H391 | 60.7° | 67.3° |
| C40 | C41 | O42 | H412 | 119.8° | 120.0° |
| C40 | C41 | O42 | H411 | 119.8° | 120.0° |
| C41 | C40 | O13 | H401 | 122.5° | 122.9° |
| C41 | C40 | C38 | H381 | 99.3° | 86.1° |
| C40 | C41 | H412 | H411 | 120.6° | 120.0° |
| C40 | C41 | O42 | H421 | 180.0° | 180.0° |
| O42 | C41 | C40 | O13 | 113.2° | 70.7° |
| O42 | C41 | C40 | H401 | 11.4° | 52.1° |
| O42 | C41 | H412 | H411 | 120.5° | 120.0° |
| C02 | C08 | C07 | N11 | 179.8° | 179.8° |
| C08 | C02 | N03 | H031 | 179.7° | 179.7° |
| C07 | N11 | C10 | H101 | 179.7° | 179.8° |
| C07 | N11 | C12 | H121 | 166.6° | 35.6° |
| C40 | O13 | C12 | H121 | 84.4° | 93.1° |
| O13 | C40 | C38 | H381 | 141.1° | 155.1° |
| O13 | C40 | C41 | H412 | 127.0° | 169.2° |
| O13 | C40 | C41 | H411 | 6.6° | 49.3° |
| O35 | C19 | C18 | H182 | 105.0° | 173.5° |
| O35 | C19 | C18 | H181 | 14.6° | 53.5° |
| O35 | C19 | C20 | H201 | 68.0° | 155.2° |
| C19 | O35 | C24 | H241 | 122.6° | 146.0° |
| C34 | N25 | C24 | H241 | 41.9° | 36.0° |
| C34 | N25 | C26 | H261 | 179.0° | 180.0° |
| H121 | C12 | C14 | H141 | 142.6° | 123.8° |
| H141 | C14 | C38 | H381 | 126.0° | 102.2° |
| H182 | C18 | C19 | H191 | 16.7° | 63.6° |
| H181 | C18 | C19 | H191 | 136.3° | 176.4° |
| H191 | C19 | C20 | H201 | 49.9° | 36.6° |
| H201 | C20 | C22 | H221 | 176.9° | 102.3° |
| H201 | C20 | O21 | H211 | 54.3° | 56.3° |
| H221 | C22 | C24 | H241 | 29.8° | 2.7° |
| H221 | C22 | O23 | H231 | 59.2° | 61.1° |
| H381 | C38 | C40 | H401 | 19.4° | 36.7° |
| H381 | C38 | O39 | H391 | 56.5° | 56.4° |
| H401 | C40 | C41 | H412 | 108.4° | 67.9° |
| H401 | C40 | C41 | H411 | 131.2° | 172.1° |
| H412 | C41 | O42 | H421 | 60.2° | 60.0° |
| H411 | C41 | O42 | H421 | 60.2° | 60.0° |
