A1AVX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | CL01 | sing | 1.74Å | 1.76Å | |
| N03 | C02 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.31Å | Aromatic |
| C06 | N05 | sing | 1.47Å | 1.49Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| N08 | C07 | sing | 1.47Å | 1.43Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.47Å | 1.50Å | |
| S11 | N08 | sing | 1.66Å | 1.68Å | |
| O12 | S11 | doub | 1.42Å | 1.35Å | |
| O13 | S11 | doub | 1.42Å | 1.41Å | |
| C14 | S11 | sing | 1.76Å | 1.78Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| N20 | C17 | sing | 1.40Å | 1.46Å | |
| O22 | C21 | doub | 1.22Å | 1.19Å | |
| C23 | C21 | sing | 1.47Å | 1.50Å | |
| C24 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| N29 | C28 | sing | 1.39Å | 1.43Å | |
| O31 | S30 | doub | 1.42Å | 1.47Å | |
| O32 | S30 | doub | 1.42Å | 1.46Å | |
| C33 | S30 | sing | 1.82Å | 1.82Å | |
| S30 | N29 | sing | 1.66Å | 1.66Å | |
| C34 | N29 | sing | 1.47Å | 1.47Å | |
| C21 | N20 | sing | 1.35Å | 1.43Å | |
| C35 | N20 | sing | 1.46Å | 1.46Å | |
| C36 | C35 | sing | 1.54Å | 1.51Å | |
| N05 | C04 | sing | 1.39Å | 1.42Å | |
| C37 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.35Å | Aromatic |
| C39 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C40 | C38 | sing | 1.51Å | 1.55Å | |
| F41 | C40 | sing | 1.40Å | 1.27Å | |
| F42 | C40 | sing | 1.40Å | 1.29Å | |
| F43 | C40 | sing | 1.40Å | 1.24Å | |
| C02 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| N05 | C10 | sing | 1.47Å | 1.47Å | |
| C14 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C36 | sing | 1.51Å | 1.52Å | |
| C23 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C33 | H333 | 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 | |
| C34 | H343 | 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 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | N03 | 118.8° | 119.6° |
| CL01 | C02 | C39 | 120.3° | 119.5° |
| C02 | N03 | C04 | 120.9° | 121.6° |
| N03 | C02 | C39 | 120.9° | 120.8° |
| N03 | C04 | N05 | 116.4° | 119.7° |
| N03 | C04 | C37 | 123.7° | 120.6° |
| N05 | C06 | C07 | 108.5° | 109.4° |
| C06 | N05 | C04 | 117.5° | 111.0° |
| C06 | N05 | C10 | 116.1° | 111.2° |
| N05 | C06 | H062 | 109.7° | 109.5° |
| N05 | C06 | H061 | 109.7° | 109.5° |
| C06 | C07 | N08 | 110.2° | 108.5° |
| C07 | C06 | H062 | 109.7° | 109.5° |
| C07 | C06 | H061 | 109.7° | 109.5° |
| C06 | C07 | H072 | 109.3° | 109.7° |
| C06 | C07 | H071 | 109.3° | 109.7° |
| C07 | N08 | C09 | 113.1° | 118.2° |
| C07 | N08 | S11 | 116.7° | 120.9° |
| N08 | C07 | H072 | 109.3° | 109.6° |
| N08 | C07 | H071 | 109.3° | 109.7° |
| C10 | C09 | N08 | 107.3° | 108.5° |
| C09 | C10 | N05 | 109.9° | 109.4° |
| C09 | C10 | H102 | 109.4° | 109.5° |
| C09 | C10 | H101 | 109.4° | 109.5° |
| C10 | C09 | H091 | 110.0° | 109.6° |
| C10 | C09 | H092 | 110.0° | 109.6° |
| C09 | N08 | S11 | 113.7° | 120.9° |
| N08 | C09 | H091 | 110.0° | 109.6° |
| N08 | C09 | H092 | 110.0° | 109.7° |
| N08 | S11 | O12 | 110.1° | 106.4° |
| N08 | S11 | O13 | 105.5° | 106.4° |
| N08 | S11 | C14 | 104.6° | 107.2° |
| O12 | S11 | O13 | 117.7° | 123.1° |
| O12 | S11 | C14 | 107.6° | 106.4° |
| O13 | S11 | C14 | 110.5° | 106.4° |
| S11 | C14 | C15 | 115.0° | 120.1° |
| S11 | C14 | C19 | 121.8° | 120.1° |
| C14 | C15 | C16 | 116.7° | 120.2° |
| C15 | C14 | C19 | 123.1° | 119.8° |
| C14 | C15 | H151 | 121.7° | 119.9° |
| C15 | C16 | C17 | 120.0° | 120.5° |
| C15 | C16 | C36 | 130.9° | 131.0° |
| C16 | C15 | H151 | 121.6° | 119.9° |
| C16 | C17 | C18 | 124.4° | 119.0° |
| C16 | C17 | N20 | 108.0° | 111.6° |
| C17 | C16 | C36 | 109.0° | 108.5° |
| C19 | C18 | C17 | 114.8° | 120.3° |
| C18 | C19 | C14 | 120.9° | 120.2° |
| C19 | C18 | H181 | 122.6° | 119.8° |
| C18 | C19 | H191 | 119.6° | 119.9° |
| C18 | C17 | N20 | 127.4° | 129.4° |
| C17 | C18 | H181 | 122.6° | 119.9° |
| C17 | N20 | C21 | 122.4° | 124.9° |
| C17 | N20 | C35 | 109.2° | 110.1° |
| O22 | C21 | C23 | 121.5° | 120.0° |
| O22 | C21 | N20 | 124.1° | 120.0° |
| C21 | C23 | C24 | 115.2° | 120.2° |
| C23 | C21 | N20 | 114.4° | 120.0° |
| C21 | C23 | C28 | 124.0° | 120.2° |
| C23 | C24 | C25 | 119.7° | 119.9° |
| C24 | C23 | C28 | 120.7° | 119.6° |
| C23 | C24 | H241 | 120.2° | 120.0° |
| C24 | C25 | C26 | 118.2° | 120.4° |
| C25 | C24 | H241 | 120.1° | 120.1° |
| C24 | C25 | H251 | 120.9° | 119.9° |
| C25 | C26 | C27 | 121.3° | 120.4° |
| C25 | C26 | H261 | 119.4° | 119.8° |
| C26 | C25 | H251 | 120.9° | 119.8° |
| C26 | C27 | C28 | 121.2° | 120.1° |
| C27 | C26 | H261 | 119.4° | 119.8° |
| C26 | C27 | H271 | 119.4° | 119.9° |
| C27 | C28 | N29 | 116.2° | 120.1° |
| C27 | C28 | C23 | 118.8° | 119.7° |
| C28 | C27 | H271 | 119.4° | 120.0° |
| C28 | N29 | S30 | 116.7° | 120.0° |
| C28 | N29 | C34 | 119.6° | 120.0° |
| N29 | C28 | C23 | 124.9° | 120.2° |
| O31 | S30 | O32 | 109.3° | 121.1° |
| O31 | S30 | C33 | 111.3° | 110.5° |
| O31 | S30 | N29 | 109.1° | 104.3° |
| O32 | S30 | C33 | 108.5° | 110.5° |
| O32 | S30 | N29 | 110.6° | 104.3° |
| C33 | S30 | N29 | 108.1° | 104.4° |
| S30 | C33 | H333 | 109.5° | 109.5° |
| S30 | C33 | H332 | 109.5° | 109.5° |
| S30 | C33 | H331 | 109.4° | 109.5° |
| S30 | N29 | C34 | 119.9° | 120.0° |
| N29 | C34 | H342 | 109.5° | 109.5° |
| N29 | C34 | H341 | 109.5° | 109.4° |
| N29 | C34 | H343 | 109.5° | 109.5° |
| C21 | N20 | C35 | 128.3° | 125.0° |
| N20 | C35 | C36 | 103.8° | 105.2° |
| N20 | C35 | H351 | 110.9° | 110.3° |
| N20 | C35 | H352 | 110.9° | 110.3° |
| C35 | C36 | C16 | 104.1° | 104.6° |
| C36 | C35 | H351 | 110.8° | 110.3° |
| C36 | C35 | H352 | 110.9° | 110.3° |
| C35 | C36 | H361 | 110.8° | 110.4° |
| C35 | C36 | H362 | 110.8° | 110.4° |
| N05 | C04 | C37 | 119.9° | 119.7° |
| C04 | N05 | C10 | 125.8° | 111.1° |
| C04 | C37 | C38 | 114.0° | 119.1° |
| C04 | C37 | H371 | 123.0° | 120.4° |
| C37 | C38 | C39 | 124.0° | 118.5° |
| C37 | C38 | C40 | 117.3° | 120.7° |
| C38 | C37 | H371 | 123.0° | 120.4° |
| C39 | C38 | C40 | 118.7° | 120.8° |
| C38 | C39 | C02 | 116.5° | 119.3° |
| C38 | C39 | H391 | 121.7° | 120.3° |
| C38 | C40 | F41 | 111.3° | 109.4° |
| C38 | C40 | F42 | 109.5° | 109.4° |
| C38 | C40 | F43 | 109.5° | 109.5° |
| F41 | C40 | F42 | 112.7° | 109.5° |
| F41 | C40 | F43 | 105.1° | 109.5° |
| F42 | C40 | F43 | 108.6° | 109.5° |
| C02 | C39 | H391 | 121.8° | 120.4° |
| N05 | C10 | H102 | 109.4° | 109.5° |
| N05 | C10 | H101 | 109.4° | 109.5° |
| C14 | C19 | H191 | 119.6° | 119.8° |
| C16 | C36 | H361 | 110.8° | 110.4° |
| C16 | C36 | H362 | 110.8° | 110.4° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.7° |
| H091 | C09 | H092 | 109.5° | 109.8° |
| H333 | C33 | H332 | 109.5° | 109.4° |
| H333 | C33 | H331 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 110.3° |
| H361 | C36 | H362 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | N03 | C39 | 178.0° | 179.7° |
| CL01 | C02 | N03 | C04 | 179.2° | 180.0° |
| CL01 | C02 | C39 | C38 | 178.1° | 180.0° |
| CL01 | C02 | C39 | H391 | 2.0° | 0.0° |
| C02 | N03 | C04 | N05 | 178.9° | 179.9° |
| C02 | N03 | C04 | C37 | 3.2° | 0.1° |
| N03 | C02 | C39 | C38 | 0.1° | 0.3° |
| N03 | C02 | C39 | H391 | 179.9° | 179.7° |
| N03 | C04 | N05 | C06 | 2.4° | 0.0° |
| N03 | C04 | N05 | C37 | 178.0° | 180.0° |
| N03 | C04 | C37 | C38 | 0.8° | 0.2° |
| C04 | N03 | C02 | C39 | 2.8° | 0.3° |
| N03 | C04 | N05 | C10 | 173.0° | 124.3° |
| N03 | C04 | C37 | H371 | 179.3° | 180.0° |
| N05 | C06 | C07 | H062 | 119.8° | 120.0° |
| N05 | C06 | C07 | H061 | 119.9° | 119.9° |
| N05 | C06 | C07 | N08 | 54.0° | 53.9° |
| C06 | N05 | C10 | C09 | 54.1° | 63.1° |
| C06 | N05 | C04 | C10 | 170.6° | 124.3° |
| C06 | N05 | C04 | C37 | 175.6° | 180.0° |
| C06 | N05 | C10 | H102 | 174.2° | 176.9° |
| C06 | N05 | C10 | H101 | 66.0° | 56.9° |
| N05 | C06 | H062 | H061 | 120.4° | 120.0° |
| N05 | C06 | C07 | H072 | 66.1° | 65.8° |
| N05 | C06 | C07 | H071 | 174.1° | 173.7° |
| C06 | C07 | N08 | H072 | 120.1° | 119.7° |
| C06 | C07 | N08 | H071 | 120.1° | 119.8° |
| C06 | C07 | N08 | C09 | 61.9° | 51.2° |
| C06 | C07 | N08 | S11 | 163.3° | 128.8° |
| C07 | C06 | N05 | C04 | 136.0° | 172.7° |
| C07 | C06 | N05 | C10 | 52.5° | 63.1° |
| C07 | C06 | H062 | H061 | 120.5° | 120.1° |
| C06 | C07 | H072 | H071 | 119.7° | 120.5° |
| C07 | N08 | C09 | C10 | 61.1° | 51.2° |
| C07 | N08 | C09 | S11 | 136.2° | 180.0° |
| C07 | N08 | S11 | O12 | 175.7° | 156.4° |
| C07 | N08 | S11 | O13 | 47.7° | 23.5° |
| C07 | N08 | S11 | C14 | 68.9° | 90.0° |
| N08 | C07 | C06 | H062 | 173.8° | 66.2° |
| N08 | C07 | C06 | H061 | 65.9° | 173.8° |
| N08 | C07 | H072 | H071 | 119.6° | 120.5° |
| C07 | N08 | C09 | H091 | 179.2° | 170.9° |
| C07 | N08 | C09 | H092 | 58.5° | 68.5° |
| C10 | C09 | N08 | H091 | 119.7° | 119.7° |
| C10 | C09 | N08 | H092 | 119.7° | 119.7° |
| C10 | C09 | N08 | S11 | 162.7° | 128.8° |
| C09 | C10 | N05 | C04 | 135.2° | 172.8° |
| C09 | C10 | N05 | H102 | 120.1° | 120.0° |
| C09 | C10 | N05 | H101 | 120.1° | 120.0° |
| C09 | C10 | H102 | H101 | 119.8° | 120.1° |
| C10 | C09 | H091 | H092 | 121.0° | 120.4° |
| C09 | N08 | S11 | O12 | 49.8° | 23.6° |
| C09 | N08 | S11 | O13 | 177.7° | 156.5° |
| C09 | N08 | S11 | C14 | 65.6° | 90.0° |
| N08 | C09 | C10 | N05 | 54.2° | 53.9° |
| N08 | C09 | C10 | H102 | 174.2° | 173.8° |
| N08 | C09 | C10 | H101 | 65.9° | 66.1° |
| C09 | N08 | C07 | H072 | 58.2° | 68.5° |
| C09 | N08 | C07 | H071 | 178.0° | 171.0° |
| N08 | C09 | H091 | H092 | 121.0° | 120.5° |
| N08 | S11 | O12 | O13 | 120.9° | 122.9° |
| N08 | S11 | O12 | C14 | 113.5° | 114.1° |
| N08 | S11 | O13 | C14 | 112.6° | 114.1° |
| N08 | S11 | C14 | C15 | 89.4° | 90.0° |
| N08 | S11 | C14 | C19 | 86.4° | 90.0° |
| S11 | N08 | C07 | H072 | 76.6° | 111.5° |
| S11 | N08 | C07 | H071 | 43.2° | 9.0° |
| S11 | N08 | C09 | H091 | 43.0° | 9.1° |
| S11 | N08 | C09 | H092 | 77.6° | 111.5° |
| O12 | S11 | O13 | C14 | 124.1° | 123.0° |
| O12 | S11 | C14 | C15 | 27.8° | 156.5° |
| O12 | S11 | C14 | C19 | 156.5° | 23.5° |
| O13 | S11 | C14 | C15 | 157.5° | 23.6° |
| O13 | S11 | C14 | C19 | 26.8° | 156.4° |
| S11 | C14 | C15 | C19 | 175.7° | 180.0° |
| S11 | C14 | C15 | C16 | 177.0° | 179.7° |
| S11 | C14 | C19 | C18 | 177.3° | 180.0° |
| S11 | C14 | C15 | H151 | 3.0° | 0.0° |
| S11 | C14 | C19 | H191 | 2.7° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.4° | 0.1° |
| C15 | C14 | C19 | C18 | 1.9° | 0.0° |
| C14 | C15 | C16 | C36 | 177.5° | 180.0° |
| C15 | C14 | C19 | H191 | 178.1° | 180.0° |
| C15 | C16 | C17 | C36 | 176.9° | 179.9° |
| C15 | C16 | C17 | C18 | 3.9° | 0.5° |
| C15 | C16 | C17 | N20 | 179.1° | 180.0° |
| C15 | C16 | C36 | C35 | 165.9° | 180.0° |
| C16 | C15 | C14 | C19 | 1.4° | 0.3° |
| C15 | C16 | C36 | H361 | 46.8° | 61.3° |
| C15 | C16 | C36 | H362 | 74.9° | 61.2° |
| C16 | C17 | C18 | C19 | 3.2° | 0.8° |
| C16 | C17 | C18 | N20 | 174.3° | 179.4° |
| C16 | C17 | N20 | C21 | 170.7° | 180.0° |
| C16 | C17 | N20 | C35 | 11.9° | 0.0° |
| C17 | C16 | C36 | C35 | 17.7° | 0.1° |
| C17 | C16 | C15 | H151 | 178.5° | 179.7° |
| C16 | C17 | C18 | H181 | 176.8° | 180.0° |
| C17 | C16 | C36 | H361 | 136.8° | 118.8° |
| C17 | C16 | C36 | H362 | 101.5° | 118.7° |
| C19 | C18 | C17 | H181 | 180.0° | 179.2° |
| C19 | C18 | C17 | N20 | 177.5° | 179.8° |
| C18 | C19 | C14 | H191 | 180.0° | 180.0° |
| C18 | C17 | N20 | C21 | 14.2° | 0.6° |
| C18 | C17 | N20 | C35 | 163.1° | 179.5° |
| C17 | C18 | C19 | C14 | 0.3° | 0.5° |
| C18 | C17 | C16 | C36 | 179.3° | 179.5° |
| C17 | C18 | C19 | H191 | 179.7° | 179.5° |
| C17 | N20 | C21 | O22 | 3.6° | 5.5° |
| C17 | N20 | C21 | C23 | 174.1° | 174.5° |
| C17 | N20 | C21 | C35 | 176.8° | 179.9° |
| C17 | N20 | C35 | C36 | 22.5° | 0.1° |
| N20 | C17 | C16 | C36 | 4.0° | 0.0° |
| N20 | C17 | C18 | H181 | 2.6° | 0.6° |
| C17 | N20 | C35 | H351 | 96.5° | 118.9° |
| C17 | N20 | C35 | H352 | 141.7° | 119.0° |
| O22 | C21 | C23 | N20 | 177.8° | 180.0° |
| O22 | C21 | C23 | C24 | 120.1° | 133.6° |
| O22 | C21 | N20 | C35 | 179.6° | 174.5° |
| O22 | C21 | C23 | C28 | 56.4° | 46.4° |
| C21 | C23 | C24 | C28 | 176.6° | 180.0° |
| C21 | C23 | C24 | C25 | 179.2° | 179.8° |
| C21 | C23 | C28 | C27 | 179.1° | 179.5° |
| C21 | C23 | C28 | N29 | 2.8° | 0.0° |
| C23 | C21 | N20 | C35 | 2.7° | 5.4° |
| C21 | C23 | C24 | H241 | 0.8° | 0.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 1.3° | 0.0° |
| C24 | C23 | C28 | C27 | 2.8° | 0.5° |
| C24 | C23 | C28 | N29 | 179.1° | 180.0° |
| C24 | C23 | C21 | N20 | 57.7° | 46.3° |
| C23 | C24 | C25 | H251 | 178.7° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C23 | C28 | 2.6° | 0.2° |
| C24 | C25 | C26 | H261 | 179.7° | 179.9° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.5° | 0.3° |
| C26 | C25 | C24 | H241 | 178.7° | 179.7° |
| C25 | C26 | C27 | H271 | 179.5° | 179.7° |
| C26 | C27 | C28 | H271 | 180.0° | 179.5° |
| C26 | C27 | C28 | N29 | 180.0° | 179.9° |
| C26 | C27 | C28 | C23 | 1.8° | 0.5° |
| C27 | C26 | C25 | H251 | 179.7° | 179.9° |
| C27 | C28 | N29 | C23 | 178.1° | 179.6° |
| C27 | C28 | N29 | S30 | 102.5° | 94.3° |
| C27 | C28 | N29 | C34 | 55.6° | 85.8° |
| C28 | C27 | C26 | H261 | 179.5° | 179.8° |
| C28 | N29 | S30 | O31 | 154.4° | 152.7° |
| C28 | N29 | S30 | O32 | 34.2° | 24.7° |
| C28 | N29 | S30 | C33 | 84.4° | 91.3° |
| C28 | N29 | S30 | C34 | 158.0° | 179.9° |
| N29 | C28 | C27 | H271 | 0.0° | 0.5° |
| C28 | N29 | C34 | H342 | 180.0° | 89.9° |
| C28 | N29 | C34 | H341 | 60.0° | 150.1° |
| C28 | N29 | C34 | H343 | 60.0° | 30.1° |
| O31 | S30 | O32 | C33 | 121.6° | 131.5° |
| O31 | S30 | O32 | N29 | 120.1° | 116.8° |
| O31 | S30 | C33 | N29 | 119.8° | 111.6° |
| O31 | S30 | N29 | C34 | 47.5° | 27.4° |
| O31 | S30 | C33 | H333 | 180.0° | 58.5° |
| O31 | S30 | C33 | H332 | 60.0° | 178.5° |
| O31 | S30 | C33 | H331 | 60.0° | 61.5° |
| O32 | S30 | C33 | N29 | 119.9° | 111.6° |
| O32 | S30 | N29 | C34 | 167.7° | 155.4° |
| O32 | S30 | C33 | H333 | 59.7° | 164.7° |
| O32 | S30 | C33 | H332 | 179.7° | 44.8° |
| O32 | S30 | C33 | H331 | 60.3° | 75.3° |
| C33 | S30 | N29 | C34 | 73.7° | 88.6° |
| S30 | C33 | H333 | H332 | 120.0° | 120.0° |
| S30 | C33 | H333 | H331 | 120.0° | 120.0° |
| S30 | C33 | H332 | H331 | 120.0° | 120.0° |
| S30 | N29 | C28 | C23 | 75.6° | 85.2° |
| N29 | S30 | C33 | H333 | 60.2° | 53.1° |
| N29 | S30 | C33 | H332 | 59.8° | 66.9° |
| N29 | S30 | C33 | H331 | 179.8° | 173.1° |
| S30 | N29 | C34 | H342 | 22.6° | 90.0° |
| S30 | N29 | C34 | H341 | 97.4° | 30.0° |
| S30 | N29 | C34 | H343 | 142.6° | 150.0° |
| C34 | N29 | C28 | C23 | 126.3° | 94.7° |
| N29 | C34 | H342 | H341 | 120.0° | 119.9° |
| N29 | C34 | H342 | H343 | 120.0° | 120.0° |
| N29 | C34 | H341 | H343 | 120.0° | 119.9° |
| C21 | N20 | C35 | C36 | 160.3° | 180.0° |
| N20 | C21 | C23 | C28 | 125.8° | 133.7° |
| C21 | N20 | C35 | H351 | 80.6° | 61.0° |
| C21 | N20 | C35 | H352 | 41.2° | 61.0° |
| N20 | C35 | C36 | H351 | 119.1° | 119.0° |
| N20 | C35 | C36 | H352 | 119.1° | 118.9° |
| N20 | C35 | C36 | C16 | 23.8° | 0.1° |
| N20 | C35 | H351 | H352 | 122.6° | 122.1° |
| N20 | C35 | C36 | H361 | 142.9° | 118.8° |
| N20 | C35 | C36 | H362 | 95.4° | 118.7° |
| C35 | C36 | C16 | H361 | 119.1° | 118.7° |
| C35 | C36 | C16 | H362 | 119.1° | 118.8° |
| C36 | C35 | H351 | H352 | 122.6° | 122.1° |
| C35 | C36 | H361 | H362 | 122.5° | 122.4° |
| N05 | C04 | C37 | C38 | 178.6° | 179.8° |
| C04 | N05 | C10 | H102 | 15.1° | 52.8° |
| C04 | N05 | C10 | H101 | 104.7° | 67.2° |
| C04 | N05 | C06 | H062 | 16.1° | 67.3° |
| C04 | N05 | C06 | H061 | 104.2° | 52.7° |
| N05 | C04 | C37 | H371 | 1.4° | 0.0° |
| C04 | C37 | C38 | H371 | 180.0° | 179.8° |
| C04 | C37 | C38 | C39 | 2.1° | 0.2° |
| C04 | C37 | C38 | C40 | 179.8° | 180.0° |
| C37 | C04 | N05 | C10 | 5.0° | 55.7° |
| C37 | C38 | C39 | C40 | 177.7° | 179.8° |
| C37 | C38 | C40 | F41 | 41.6° | 90.1° |
| C37 | C38 | C40 | F42 | 166.8° | 150.0° |
| C37 | C38 | C40 | F43 | 74.2° | 29.9° |
| C37 | C38 | C39 | C02 | 2.4° | 0.1° |
| C37 | C38 | C39 | H391 | 177.5° | 179.9° |
| C39 | C38 | C40 | F41 | 140.6° | 89.8° |
| C39 | C38 | C40 | F42 | 15.4° | 30.2° |
| C39 | C38 | C40 | F43 | 103.6° | 150.2° |
| C38 | C39 | C02 | H391 | 180.0° | 180.0° |
| C39 | C38 | C37 | H371 | 177.9° | 180.0° |
| C38 | C40 | F41 | F42 | 123.4° | 119.9° |
| C38 | C40 | F41 | F43 | 118.5° | 120.0° |
| C38 | C40 | F42 | F43 | 119.6° | 120.0° |
| C40 | C38 | C39 | C02 | 179.9° | 179.8° |
| C40 | C38 | C37 | H371 | 0.2° | 0.1° |
| C40 | C38 | C39 | H391 | 0.2° | 0.2° |
| F41 | C40 | F42 | F43 | 116.0° | 120.1° |
| N05 | C10 | H102 | H101 | 119.8° | 120.0° |
| C10 | N05 | C06 | H062 | 172.4° | 56.9° |
| C10 | N05 | C06 | H061 | 67.4° | 176.9° |
| N05 | C10 | C09 | H091 | 173.8° | 173.6° |
| N05 | C10 | C09 | H092 | 65.5° | 65.9° |
| C19 | C14 | C15 | H151 | 178.7° | 180.0° |
| C14 | C19 | C18 | H181 | 179.7° | 179.8° |
| C36 | C16 | C15 | H151 | 2.5° | 0.3° |
| C16 | C36 | C35 | H351 | 95.3° | 118.9° |
| C16 | C36 | C35 | H352 | 142.9° | 119.0° |
| C16 | C36 | H361 | H362 | 122.5° | 122.4° |
| C28 | C23 | C24 | H241 | 177.4° | 180.0° |
| C23 | C28 | C27 | H271 | 178.2° | 180.0° |
| H102 | C10 | C09 | H091 | 66.1° | 66.5° |
| H102 | C10 | C09 | H092 | 54.6° | 54.1° |
| H101 | C10 | C09 | H091 | 53.7° | 53.6° |
| H101 | C10 | C09 | H092 | 174.4° | 174.1° |
| H241 | C24 | C25 | H251 | 1.3° | 0.2° |
| H261 | C26 | C25 | H251 | 0.3° | 0.0° |
| H261 | C26 | C27 | H271 | 0.5° | 0.3° |
| H062 | C06 | C07 | H072 | 53.7° | 174.2° |
| H062 | C06 | C07 | H071 | 66.1° | 53.7° |
| H061 | C06 | C07 | H072 | 174.0° | 54.1° |
| H061 | C06 | C07 | H071 | 54.2° | 66.4° |
| H181 | C18 | C19 | H191 | 0.3° | 0.2° |
| H333 | C33 | H332 | H331 | 120.0° | 120.0° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
| H351 | C35 | C36 | H361 | 23.8° | 0.2° |
| H351 | C35 | C36 | H362 | 145.6° | 122.3° |
| H352 | C35 | C36 | H361 | 98.0° | 122.3° |
| H352 | C35 | C36 | H362 | 23.8° | 0.2° |
