SXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.31Å | 1.31Å | |
| C33 | S02 | sing | 1.76Å | 1.85Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | N03 | sing | 1.49Å | 1.48Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C31 | C04 | sing | 1.51Å | 1.56Å | |
| C31 | C30 | sing | 1.51Å | 1.56Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.57Å | |
| C09 | N08 | sing | 1.47Å | 1.49Å | |
| N03 | S02 | sing | 1.66Å | 1.74Å | |
| N03 | C04 | sing | 1.49Å | 1.50Å | |
| C07 | N08 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| S02 | O40 | doub | 1.42Å | 1.47Å | |
| S02 | O01 | doub | 1.42Å | 1.47Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | N19 | sing | 1.49Å | 1.46Å | |
| N08 | C16 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N19 | C18 | sing | 1.49Å | 1.46Å | |
| N19 | S20 | sing | 1.66Å | 1.74Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| O29 | S20 | doub | 1.42Å | 1.48Å | |
| O21 | S20 | doub | 1.42Å | 1.45Å | |
| S20 | C22 | sing | 1.76Å | 1.85Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | 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) |
| C37 | C36 | C38 | 121.1° | 120.0° |
| C37 | C36 | C35 | 118.7° | 120.0° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C36 | C37 | H371 | 109.4° | 109.5° |
| C36 | C37 | H373 | 109.5° | 109.5° |
| C38 | C36 | C35 | 120.2° | 120.0° |
| C36 | C38 | C39 | 119.8° | 120.0° |
| C36 | C38 | H381 | 120.1° | 120.0° |
| C36 | C35 | C34 | 119.6° | 120.0° |
| C36 | C35 | H351 | 120.2° | 120.0° |
| C38 | C39 | C33 | 119.7° | 120.0° |
| C39 | C38 | H381 | 120.1° | 120.0° |
| C38 | C39 | H391 | 120.1° | 120.0° |
| C35 | C34 | C33 | 120.3° | 119.9° |
| C35 | C34 | H341 | 119.9° | 120.0° |
| C34 | C35 | H351 | 120.2° | 120.0° |
| C39 | C33 | C34 | 120.3° | 120.1° |
| C39 | C33 | S02 | 120.5° | 120.0° |
| C33 | C39 | H391 | 120.1° | 120.0° |
| C34 | C33 | S02 | 119.1° | 120.0° |
| C33 | C34 | H341 | 119.8° | 120.0° |
| C32 | C31 | C04 | 121.0° | 120.0° |
| C32 | C31 | C30 | 117.1° | 120.0° |
| C31 | C32 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| C33 | S02 | N03 | 109.2° | 107.2° |
| C33 | S02 | O40 | 112.0° | 106.4° |
| C33 | S02 | O01 | 111.1° | 106.4° |
| C06 | C05 | N03 | 114.2° | 108.1° |
| C05 | C06 | C07 | 114.0° | 109.5° |
| C06 | C05 | H052 | 108.3° | 109.7° |
| C06 | C05 | H051 | 108.3° | 109.7° |
| C05 | C06 | H062 | 108.3° | 109.5° |
| C05 | C06 | H061 | 108.3° | 109.5° |
| C05 | N03 | S02 | 114.2° | 123.3° |
| C05 | N03 | C04 | 125.3° | 113.5° |
| N03 | C05 | H052 | 108.3° | 109.8° |
| N03 | C05 | H051 | 108.3° | 109.8° |
| C06 | C07 | N08 | 112.5° | 109.5° |
| C07 | C06 | H062 | 108.3° | 109.5° |
| C07 | C06 | H061 | 108.3° | 109.4° |
| C06 | C07 | H072 | 108.7° | 109.4° |
| C06 | C07 | H071 | 108.7° | 109.5° |
| C04 | C31 | C30 | 121.8° | 120.0° |
| C31 | C04 | N03 | 118.6° | 108.1° |
| C31 | C04 | H041 | 107.1° | 109.7° |
| C31 | C04 | H042 | 107.2° | 109.8° |
| C31 | C30 | N19 | 116.7° | 108.1° |
| C31 | C30 | H301 | 107.6° | 109.8° |
| C31 | C30 | H302 | 107.6° | 109.8° |
| C14 | C15 | C10 | 120.9° | 120.0° |
| C15 | C14 | C13 | 119.7° | 120.0° |
| C14 | C15 | H151 | 119.6° | 120.0° |
| C15 | C14 | H141 | 120.2° | 120.0° |
| C15 | C10 | C09 | 118.4° | 120.0° |
| C15 | C10 | C11 | 119.2° | 120.0° |
| C10 | C15 | H151 | 119.5° | 120.0° |
| C10 | C09 | N08 | 114.3° | 109.5° |
| C09 | C10 | C11 | 122.4° | 120.0° |
| C10 | C09 | H091 | 108.2° | 109.5° |
| C10 | C09 | H092 | 108.2° | 109.5° |
| C09 | N08 | C07 | 112.7° | 111.0° |
| C09 | N08 | C16 | 118.0° | 111.0° |
| N08 | C09 | H091 | 108.3° | 109.5° |
| N08 | C09 | H092 | 108.2° | 109.5° |
| S02 | N03 | C04 | 114.1° | 123.3° |
| N03 | S02 | O40 | 111.9° | 106.4° |
| N03 | S02 | O01 | 110.9° | 106.4° |
| N03 | C04 | H041 | 107.2° | 109.7° |
| N03 | C04 | H042 | 107.1° | 109.7° |
| C07 | N08 | C16 | 117.9° | 111.0° |
| N08 | C07 | H072 | 108.7° | 109.5° |
| N08 | C07 | H071 | 108.7° | 109.5° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C13 | C14 | H141 | 120.1° | 120.0° |
| O40 | S02 | O01 | 101.6° | 123.1° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H111 | 120.0° | 120.0° |
| C30 | N19 | C18 | 118.8° | 113.5° |
| C30 | N19 | S20 | 113.2° | 123.3° |
| N19 | C30 | H301 | 107.6° | 109.7° |
| N19 | C30 | H302 | 107.6° | 109.7° |
| N08 | C16 | C17 | 118.1° | 109.5° |
| N08 | C16 | H161 | 107.3° | 109.4° |
| N08 | C16 | H162 | 107.2° | 109.4° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C12 | C13 | H131 | 120.0° | 119.9° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C12 | C11 | H111 | 120.0° | 120.0° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C18 | N19 | S20 | 114.6° | 123.3° |
| N19 | C18 | C17 | 112.4° | 108.1° |
| N19 | C18 | H182 | 108.7° | 109.8° |
| N19 | C18 | H181 | 108.7° | 109.7° |
| N19 | S20 | O29 | 113.7° | 106.4° |
| N19 | S20 | O21 | 110.2° | 106.4° |
| N19 | S20 | C22 | 113.4° | 107.2° |
| C18 | C17 | C16 | 113.0° | 109.5° |
| C18 | C17 | H171 | 108.6° | 109.5° |
| C18 | C17 | H172 | 108.6° | 109.4° |
| C17 | C18 | H182 | 108.7° | 109.7° |
| C17 | C18 | H181 | 108.7° | 109.7° |
| C16 | C17 | H171 | 108.6° | 109.5° |
| C16 | C17 | H172 | 108.6° | 109.5° |
| C17 | C16 | H161 | 107.2° | 109.5° |
| C17 | C16 | H162 | 107.3° | 109.5° |
| O29 | S20 | O21 | 93.7° | 123.1° |
| O29 | S20 | C22 | 110.0° | 106.5° |
| O21 | S20 | C22 | 114.4° | 106.4° |
| S20 | C22 | C23 | 120.2° | 120.0° |
| S20 | C22 | C28 | 121.9° | 120.0° |
| C23 | C22 | C28 | 118.0° | 120.0° |
| C22 | C23 | C24 | 124.8° | 120.0° |
| C22 | C23 | H231 | 117.6° | 120.0° |
| C22 | C28 | C27 | 118.7° | 120.0° |
| C22 | C28 | H281 | 120.6° | 120.0° |
| C23 | C24 | C25 | 117.5° | 120.0° |
| C23 | C24 | H241 | 121.2° | 120.0° |
| C24 | C23 | H231 | 117.6° | 120.0° |
| C28 | C27 | C25 | 121.8° | 120.0° |
| C27 | C28 | H281 | 120.6° | 120.1° |
| C28 | C27 | H271 | 119.1° | 120.0° |
| C24 | C25 | C27 | 119.3° | 120.1° |
| C24 | C25 | C26 | 118.8° | 120.0° |
| C25 | C24 | H241 | 121.3° | 120.1° |
| C27 | C25 | C26 | 121.9° | 119.9° |
| C25 | C27 | H271 | 119.1° | 120.1° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.7° |
| H052 | C05 | H051 | 109.4° | 109.8° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.8° |
| H301 | C30 | H302 | 109.5° | 109.8° |
| H322 | C32 | H321 | 120.0° | 120.0° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C38 | C35 | 179.9° | 179.7° |
| C37 | C36 | C38 | C39 | 179.9° | 180.0° |
| C37 | C36 | C35 | C34 | 179.8° | 179.7° |
| C37 | C36 | C35 | H351 | 0.2° | 0.3° |
| C36 | C37 | H372 | H371 | 120.0° | 120.0° |
| C36 | C37 | H372 | H373 | 120.0° | 120.0° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C37 | C36 | C38 | H381 | 0.1° | 0.2° |
| C36 | C38 | C39 | H381 | 180.0° | 179.8° |
| C38 | C36 | C35 | C34 | 0.0° | 0.0° |
| C36 | C38 | C39 | C33 | 0.3° | 0.5° |
| C38 | C36 | C35 | H351 | 180.0° | 180.0° |
| C38 | C36 | C37 | H372 | 90.0° | 90.0° |
| C38 | C36 | C37 | H371 | 149.9° | 150.0° |
| C38 | C36 | C37 | H373 | 29.9° | 30.0° |
| C36 | C38 | C39 | H391 | 179.7° | 180.0° |
| C35 | C36 | C38 | C39 | 0.0° | 0.2° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.1° |
| C36 | C35 | C34 | H341 | 179.9° | 179.9° |
| C35 | C36 | C37 | H372 | 90.1° | 89.7° |
| C35 | C36 | C37 | H371 | 29.9° | 30.3° |
| C35 | C36 | C37 | H373 | 149.9° | 150.3° |
| C35 | C36 | C38 | H381 | 180.0° | 180.0° |
| C38 | C39 | C33 | H391 | 180.0° | 179.4° |
| C38 | C39 | C33 | C34 | 0.5° | 0.6° |
| C38 | C39 | C33 | S02 | 179.7° | 179.7° |
| C35 | C34 | C33 | C39 | 0.4° | 0.3° |
| C35 | C34 | C33 | H341 | 180.0° | 179.9° |
| C35 | C34 | C33 | S02 | 179.6° | 180.0° |
| C39 | C33 | C34 | S02 | 179.2° | 179.7° |
| C39 | C33 | S02 | N03 | 101.7° | 90.3° |
| C39 | C33 | S02 | O40 | 22.8° | 156.2° |
| C39 | C33 | S02 | O01 | 135.7° | 23.3° |
| C39 | C33 | C34 | H341 | 179.6° | 179.8° |
| C33 | C39 | C38 | H381 | 179.7° | 179.7° |
| C34 | C33 | S02 | N03 | 77.5° | 90.0° |
| C34 | C33 | S02 | O40 | 158.0° | 23.5° |
| C34 | C33 | S02 | O01 | 45.1° | 156.4° |
| C33 | C34 | C35 | H351 | 179.9° | 180.0° |
| C34 | C33 | C39 | H391 | 179.5° | 180.0° |
| C32 | C31 | C04 | C30 | 177.2° | 179.9° |
| C32 | C31 | C04 | N03 | 60.0° | 42.8° |
| C32 | C31 | C30 | N19 | 160.1° | 41.5° |
| C32 | C31 | C04 | H041 | 61.3° | 162.5° |
| C32 | C31 | C04 | H042 | 178.7° | 76.8° |
| C32 | C31 | C30 | H301 | 78.8° | 78.2° |
| C32 | C31 | C30 | H302 | 39.1° | 161.1° |
| C31 | C32 | H322 | H321 | 180.0° | 180.0° |
| C33 | S02 | N03 | C05 | 58.5° | 56.3° |
| C33 | S02 | N03 | O40 | 124.5° | 113.5° |
| C33 | S02 | N03 | O01 | 122.8° | 113.6° |
| C33 | S02 | N03 | C04 | 95.2° | 123.8° |
| C33 | S02 | O40 | O01 | 118.7° | 123.0° |
| S02 | C33 | C34 | H341 | 0.4° | 0.1° |
| S02 | C33 | C39 | H391 | 0.3° | 0.3° |
| C06 | C05 | N03 | H052 | 120.7° | 119.6° |
| C06 | C05 | N03 | H051 | 120.7° | 119.7° |
| C05 | C06 | C07 | H062 | 120.6° | 120.0° |
| C05 | C06 | C07 | H061 | 120.7° | 120.0° |
| C06 | C05 | N03 | S02 | 140.1° | 61.8° |
| C06 | C05 | N03 | C04 | 69.7° | 118.1° |
| C05 | C06 | C07 | N08 | 156.0° | 137.7° |
| C06 | C05 | H052 | H051 | 117.9° | 120.6° |
| C05 | C06 | H062 | H061 | 117.9° | 120.0° |
| C05 | C06 | C07 | H072 | 83.6° | 17.7° |
| C05 | C06 | C07 | H071 | 35.5° | 102.3° |
| N03 | C05 | C06 | C07 | 73.1° | 130.6° |
| C05 | N03 | C04 | C31 | 7.5° | 112.2° |
| C05 | N03 | S02 | C04 | 153.6° | 180.0° |
| C05 | N03 | S02 | O40 | 66.1° | 169.8° |
| C05 | N03 | S02 | O01 | 178.8° | 57.3° |
| C05 | N03 | C04 | H041 | 113.8° | 7.5° |
| C05 | N03 | C04 | H042 | 128.8° | 128.1° |
| N03 | C05 | H052 | H051 | 117.8° | 120.7° |
| N03 | C05 | C06 | H062 | 47.6° | 109.4° |
| N03 | C05 | C06 | H061 | 166.3° | 10.7° |
| C06 | C07 | N08 | C09 | 43.7° | 116.6° |
| C06 | C07 | N08 | H072 | 120.5° | 120.0° |
| C06 | C07 | N08 | H071 | 120.4° | 120.0° |
| C06 | C07 | N08 | C16 | 99.2° | 119.4° |
| C07 | C06 | C05 | H052 | 47.6° | 109.7° |
| C07 | C06 | C05 | H051 | 166.2° | 11.0° |
| C07 | C06 | H062 | H061 | 118.0° | 120.0° |
| C06 | C07 | H072 | H071 | 118.6° | 120.0° |
| C31 | C04 | N03 | S02 | 157.7° | 67.7° |
| C31 | C04 | N03 | H041 | 121.3° | 119.7° |
| C31 | C04 | N03 | H042 | 121.3° | 119.7° |
| C04 | C31 | C30 | N19 | 22.6° | 138.6° |
| C31 | C04 | H041 | H042 | 115.9° | 120.7° |
| C04 | C31 | C30 | H301 | 98.5° | 101.8° |
| C04 | C31 | C30 | H302 | 143.6° | 19.0° |
| C04 | C31 | C32 | H322 | 177.3° | 7.2° |
| C04 | C31 | C32 | H321 | 2.7° | 172.8° |
| C30 | C31 | C04 | N03 | 122.8° | 137.2° |
| C31 | C30 | N19 | H301 | 121.1° | 119.7° |
| C31 | C30 | N19 | H302 | 121.0° | 119.6° |
| C31 | C30 | N19 | C18 | 87.9° | 112.0° |
| C31 | C30 | N19 | S20 | 133.2° | 68.0° |
| C30 | C31 | C04 | H041 | 115.9° | 17.6° |
| C30 | C31 | C04 | H042 | 1.5° | 103.1° |
| C31 | C30 | H301 | H302 | 116.7° | 120.7° |
| C30 | C31 | C32 | H322 | 0.0° | 172.8° |
| C30 | C31 | C32 | H321 | 180.0° | 7.2° |
| C14 | C15 | C10 | H151 | 180.0° | 180.0° |
| C14 | C15 | C10 | C09 | 179.7° | 179.8° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 0.0° | 0.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H131 | 179.8° | 180.0° |
| C15 | C10 | C09 | C11 | 179.7° | 179.7° |
| C15 | C10 | C09 | N08 | 157.6° | 90.3° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C10 | C11 | C12 | 0.2° | 0.0° |
| C15 | C10 | C09 | H091 | 81.7° | 29.7° |
| C15 | C10 | C09 | H092 | 36.8° | 149.7° |
| C15 | C10 | C11 | H111 | 179.8° | 180.0° |
| C10 | C15 | C14 | H141 | 179.9° | 180.0° |
| C10 | C09 | N08 | H091 | 120.7° | 120.0° |
| C10 | C09 | N08 | H092 | 120.7° | 120.0° |
| C10 | C09 | N08 | C07 | 151.6° | 170.0° |
| C10 | C09 | N08 | C16 | 65.6° | 66.0° |
| C09 | C10 | C11 | C12 | 179.8° | 179.7° |
| C09 | C10 | C15 | H151 | 0.3° | 0.3° |
| C10 | C09 | H091 | H092 | 117.8° | 120.0° |
| C09 | C10 | C11 | H111 | 0.2° | 0.3° |
| C09 | N08 | C07 | C16 | 142.8° | 124.0° |
| N08 | C09 | C10 | C11 | 22.8° | 90.0° |
| C09 | N08 | C16 | C17 | 98.0° | 118.5° |
| C09 | N08 | C07 | H072 | 76.8° | 123.4° |
| C09 | N08 | C07 | H071 | 164.1° | 3.4° |
| N08 | C09 | H091 | H092 | 117.8° | 120.0° |
| C09 | N08 | C16 | H161 | 23.2° | 1.6° |
| C09 | N08 | C16 | H162 | 140.8° | 121.5° |
| N03 | S02 | O40 | O01 | 118.4° | 122.9° |
| S02 | N03 | C04 | H041 | 36.5° | 172.6° |
| S02 | N03 | C04 | H042 | 80.9° | 51.9° |
| S02 | N03 | C05 | H052 | 19.4° | 57.8° |
| S02 | N03 | C05 | H051 | 99.2° | 178.5° |
| C04 | N03 | S02 | O40 | 140.3° | 10.2° |
| C04 | N03 | S02 | O01 | 27.6° | 122.7° |
| N03 | C04 | H041 | H042 | 115.9° | 120.6° |
| C04 | N03 | C05 | H052 | 169.6° | 122.3° |
| C04 | N03 | C05 | H051 | 51.0° | 1.5° |
| C07 | N08 | C16 | C17 | 42.9° | 117.6° |
| N08 | C07 | C06 | H062 | 35.3° | 102.3° |
| N08 | C07 | C06 | H061 | 83.4° | 17.7° |
| N08 | C07 | H072 | H071 | 118.6° | 120.0° |
| C07 | N08 | C09 | H091 | 30.9° | 50.0° |
| C07 | N08 | C09 | H092 | 87.7° | 70.0° |
| C07 | N08 | C16 | H161 | 164.1° | 122.4° |
| C07 | N08 | C16 | H162 | 78.4° | 2.5° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | H151 | 179.9° | 180.0° |
| C14 | C13 | C12 | H121 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C11 | C10 | C15 | H151 | 180.0° | 180.0° |
| C11 | C10 | C09 | H091 | 97.9° | 150.0° |
| C11 | C10 | C09 | H092 | 143.5° | 30.0° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C30 | N19 | C18 | S20 | 138.3° | 180.0° |
| C30 | N19 | C18 | C17 | 110.8° | 116.5° |
| C30 | N19 | S20 | O29 | 52.7° | 120.1° |
| C30 | N19 | S20 | O21 | 51.0° | 12.7° |
| C30 | N19 | S20 | C22 | 179.3° | 126.3° |
| C30 | N19 | C18 | H182 | 128.8° | 3.2° |
| C30 | N19 | C18 | H181 | 9.7° | 123.9° |
| N19 | C30 | H301 | H302 | 116.7° | 120.6° |
| N08 | C16 | C17 | C18 | 86.8° | 137.7° |
| N08 | C16 | C17 | H161 | 121.3° | 120.0° |
| N08 | C16 | C17 | H162 | 121.2° | 120.0° |
| N08 | C16 | C17 | H171 | 33.7° | 102.2° |
| N08 | C16 | C17 | H172 | 152.7° | 17.7° |
| C16 | N08 | C07 | H072 | 140.4° | 0.6° |
| C16 | N08 | C07 | H071 | 21.3° | 120.6° |
| C16 | N08 | C09 | H091 | 173.7° | 173.9° |
| C16 | N08 | C09 | H092 | 55.1° | 54.0° |
| N08 | C16 | H161 | H162 | 116.1° | 119.9° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | H111 | 179.8° | 180.0° |
| C12 | C13 | C14 | H141 | 179.9° | 180.0° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| N19 | C18 | C17 | H182 | 120.4° | 119.7° |
| N19 | C18 | C17 | H181 | 120.4° | 119.7° |
| N19 | C18 | C17 | C16 | 162.3° | 132.3° |
| C18 | N19 | S20 | O29 | 87.9° | 59.9° |
| C18 | N19 | S20 | O21 | 168.4° | 167.2° |
| C18 | N19 | S20 | C22 | 38.7° | 53.7° |
| N19 | C18 | C17 | H171 | 41.8° | 107.6° |
| N19 | C18 | C17 | H172 | 77.2° | 12.3° |
| N19 | C18 | H182 | H181 | 118.7° | 120.7° |
| C18 | N19 | C30 | H301 | 151.0° | 128.3° |
| C18 | N19 | C30 | H302 | 33.1° | 7.6° |
| S20 | N19 | C18 | C17 | 110.9° | 63.6° |
| N19 | S20 | O29 | O21 | 113.9° | 122.9° |
| N19 | S20 | O29 | C22 | 128.4° | 114.1° |
| N19 | S20 | O21 | C22 | 129.1° | 114.1° |
| N19 | S20 | C22 | C23 | 58.7° | 90.1° |
| N19 | S20 | C22 | C28 | 122.7° | 89.7° |
| S20 | N19 | C18 | H182 | 9.5° | 176.8° |
| S20 | N19 | C18 | H181 | 128.6° | 56.0° |
| S20 | N19 | C30 | H301 | 12.2° | 51.7° |
| S20 | N19 | C30 | H302 | 105.7° | 172.3° |
| C18 | C17 | C16 | H171 | 120.5° | 120.1° |
| C18 | C17 | C16 | H172 | 120.5° | 120.0° |
| C18 | C17 | H171 | H172 | 118.4° | 119.9° |
| C18 | C17 | C16 | H161 | 34.5° | 102.3° |
| C18 | C17 | C16 | H162 | 152.0° | 17.7° |
| C17 | C18 | H182 | H181 | 118.7° | 120.6° |
| C16 | C17 | H171 | H172 | 118.4° | 120.0° |
| C17 | C16 | H161 | H162 | 116.1° | 120.1° |
| C16 | C17 | C18 | H182 | 77.3° | 12.6° |
| C16 | C17 | C18 | H181 | 41.8° | 108.0° |
| O29 | S20 | O21 | C22 | 113.9° | 123.0° |
| O29 | S20 | C22 | C23 | 172.7° | 23.5° |
| O29 | S20 | C22 | C28 | 5.9° | 156.7° |
| O21 | S20 | C22 | C23 | 68.8° | 156.4° |
| O21 | S20 | C22 | C28 | 109.8° | 23.8° |
| S20 | C22 | C23 | C28 | 178.7° | 179.8° |
| S20 | C22 | C23 | C24 | 179.7° | 179.7° |
| S20 | C22 | C28 | C27 | 178.5° | 179.8° |
| S20 | C22 | C28 | H281 | 1.4° | 0.3° |
| S20 | C22 | C23 | H231 | 0.3° | 0.2° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C23 | C22 | C28 | C27 | 0.1° | 0.0° |
| C22 | C23 | C24 | C25 | 1.8° | 0.0° |
| C22 | C23 | C24 | H241 | 178.1° | 179.9° |
| C23 | C22 | C28 | H281 | 179.9° | 179.9° |
| C28 | C22 | C23 | C24 | 1.0° | 0.1° |
| C22 | C28 | C27 | H281 | 180.0° | 179.9° |
| C22 | C28 | C27 | C25 | 0.3° | 0.0° |
| C28 | C22 | C23 | H231 | 179.0° | 179.9° |
| C22 | C28 | C27 | H271 | 179.7° | 179.9° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C27 | 1.5° | 0.0° |
| C23 | C24 | C25 | C26 | 179.3° | 180.0° |
| C28 | C27 | C25 | C24 | 0.5° | 0.1° |
| C28 | C27 | C25 | H271 | 180.0° | 180.0° |
| C28 | C27 | C25 | C26 | 179.7° | 179.9° |
| C24 | C25 | C27 | C26 | 179.1° | 180.0° |
| C24 | C25 | C26 | H261 | 90.4° | 90.0° |
| C24 | C25 | C26 | H262 | 149.6° | 150.0° |
| C24 | C25 | C26 | H263 | 29.6° | 30.0° |
| C25 | C24 | C23 | H231 | 178.1° | 179.9° |
| C24 | C25 | C27 | H271 | 179.4° | 179.9° |
| C27 | C25 | C24 | H241 | 178.4° | 180.0° |
| C27 | C25 | C26 | H261 | 90.5° | 90.0° |
| C27 | C25 | C26 | H262 | 29.6° | 30.0° |
| C27 | C25 | C26 | H263 | 149.5° | 150.0° |
| C25 | C27 | C28 | H281 | 179.7° | 180.0° |
| C26 | C25 | C24 | H241 | 0.7° | 0.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C27 | H271 | 0.3° | 0.1° |
| H131 | C13 | C12 | H121 | 0.0° | 0.0° |
| H131 | C13 | C14 | H141 | 0.2° | 0.0° |
| H151 | C15 | C14 | H141 | 0.1° | 0.0° |
| H171 | C17 | C16 | H161 | 155.0° | 17.7° |
| H171 | C17 | C16 | H162 | 87.5° | 137.8° |
| H171 | C17 | C18 | H182 | 162.2° | 132.7° |
| H171 | C17 | C18 | H181 | 78.7° | 12.1° |
| H172 | C17 | C16 | H161 | 86.1° | 137.7° |
| H172 | C17 | C16 | H162 | 31.5° | 102.2° |
| H172 | C17 | C18 | H182 | 43.2° | 107.4° |
| H172 | C17 | C18 | H181 | 162.4° | 132.0° |
| H241 | C24 | C23 | H231 | 1.9° | 0.1° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H281 | C28 | C27 | H271 | 0.3° | 0.0° |
| H052 | C05 | C06 | H062 | 168.3° | 10.3° |
| H052 | C05 | C06 | H061 | 73.0° | 130.3° |
| H051 | C05 | C06 | H062 | 73.1° | 130.9° |
| H051 | C05 | C06 | H061 | 45.5° | 109.0° |
| H062 | C06 | C07 | H072 | 155.8° | 137.7° |
| H062 | C06 | C07 | H071 | 85.1° | 17.7° |
| H061 | C06 | C07 | H072 | 37.1° | 102.3° |
| H061 | C06 | C07 | H071 | 156.2° | 137.7° |
| H111 | C11 | C12 | H121 | 0.2° | 0.0° |
| H341 | C34 | C35 | H351 | 0.1° | 0.1° |
| H372 | C37 | H371 | H373 | 120.0° | 120.0° |
| H381 | C38 | C39 | H391 | 0.3° | 0.2° |
