J22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | S02 | doub | 1.42Å | 1.44Å | |
| C06 | C05 | doub | 1.35Å | 1.42Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.37Å | Aromatic |
| C05 | N04 | sing | 1.34Å | 1.41Å | Aromatic |
| C08 | N07 | sing | 1.47Å | 1.49Å | |
| N07 | C03 | sing | 1.35Å | 1.37Å | Aromatic |
| N04 | C03 | doub | 1.31Å | 1.36Å | Aromatic |
| C03 | S02 | sing | 1.76Å | 1.83Å | |
| S02 | O01 | doub | 1.42Å | 1.46Å | |
| S02 | N09 | sing | 1.66Å | 1.66Å | |
| C13 | C12 | sing | 1.53Å | 1.58Å | |
| C13 | C14 | sing | 1.56Å | 1.58Å | |
| C12 | N09 | sing | 1.46Å | 1.51Å | |
| N09 | C10 | sing | 1.46Å | 1.49Å | |
| C14 | C15 | sing | 1.52Å | 1.58Å | |
| C10 | C11 | sing | 1.56Å | 1.55Å | |
| C15 | N16 | sing | 1.42Å | 1.53Å | |
| C11 | N16 | sing | 1.49Å | 1.54Å | |
| C11 | C20 | sing | 1.51Å | 1.56Å | |
| N16 | C17 | sing | 1.43Å | 1.50Å | |
| C34 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.56Å | |
| C20 | C17 | sing | 1.55Å | 1.55Å | |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.48Å | 1.45Å | |
| C24 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | O19 | sing | 1.43Å | 1.47Å | |
| C26 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| O19 | H191 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | S02 | C03 | 108.7° | 106.4° |
| O35 | S02 | O01 | 104.0° | 123.2° |
| O35 | S02 | N09 | 112.8° | 106.4° |
| C05 | C06 | N07 | 106.2° | 106.8° |
| C06 | C05 | N04 | 107.1° | 108.0° |
| C06 | C05 | H051 | 126.5° | 126.0° |
| C05 | C06 | H061 | 126.9° | 126.6° |
| C06 | N07 | C08 | 123.6° | 126.4° |
| C06 | N07 | C03 | 110.4° | 107.2° |
| N07 | C06 | H061 | 126.9° | 126.6° |
| C05 | N04 | C03 | 108.5° | 109.3° |
| N04 | C05 | H051 | 126.5° | 126.0° |
| C08 | N07 | C03 | 126.0° | 126.4° |
| N07 | C08 | H083 | 109.5° | 109.4° |
| N07 | C08 | H081 | 109.5° | 109.5° |
| N07 | C08 | H082 | 109.5° | 109.5° |
| N07 | C03 | N04 | 107.8° | 108.7° |
| N07 | C03 | S02 | 126.9° | 125.7° |
| N04 | C03 | S02 | 125.2° | 125.7° |
| C03 | S02 | O01 | 109.6° | 106.4° |
| C03 | S02 | N09 | 110.4° | 107.2° |
| O01 | S02 | N09 | 111.1° | 106.4° |
| S02 | N09 | C12 | 122.6° | 115.3° |
| S02 | N09 | C10 | 122.9° | 115.3° |
| C12 | C13 | C14 | 117.0° | 110.9° |
| C13 | C12 | N09 | 113.4° | 113.4° |
| C13 | C12 | H121 | 108.5° | 108.7° |
| C13 | C12 | H122 | 108.5° | 108.6° |
| C12 | C13 | H132 | 107.6° | 109.1° |
| C12 | C13 | H131 | 107.6° | 109.2° |
| C13 | C14 | C15 | 112.9° | 108.8° |
| C14 | C13 | H132 | 107.6° | 109.1° |
| C14 | C13 | H131 | 107.6° | 109.2° |
| C13 | C14 | H142 | 108.6° | 109.6° |
| C13 | C14 | H141 | 108.6° | 109.6° |
| C12 | N09 | C10 | 114.5° | 129.5° |
| N09 | C12 | H121 | 108.5° | 108.7° |
| N09 | C12 | H122 | 108.5° | 108.7° |
| N09 | C10 | C11 | 114.2° | 104.3° |
| N09 | C10 | H102 | 108.3° | 110.5° |
| N09 | C10 | H101 | 108.3° | 110.6° |
| C14 | C15 | N16 | 114.0° | 107.4° |
| C15 | C14 | H142 | 108.6° | 109.6° |
| C15 | C14 | H141 | 108.6° | 109.6° |
| C14 | C15 | H151 | 108.3° | 109.8° |
| C14 | C15 | H152 | 108.3° | 109.9° |
| C10 | C11 | N16 | 115.4° | 100.1° |
| C10 | C11 | C20 | 115.0° | 118.7° |
| C11 | C10 | H102 | 108.2° | 110.5° |
| C11 | C10 | H101 | 108.3° | 110.5° |
| C10 | C11 | H111 | 112.0° | 115.1° |
| C15 | N16 | C11 | 116.6° | 113.2° |
| C15 | N16 | C17 | 140.2° | 127.2° |
| N16 | C15 | H151 | 108.4° | 109.9° |
| N16 | C15 | H152 | 108.3° | 109.9° |
| N16 | C11 | C20 | 88.2° | 83.5° |
| C11 | N16 | C17 | 91.9° | 86.4° |
| N16 | C11 | H111 | 112.3° | 117.5° |
| C11 | C20 | C21 | 116.9° | 114.5° |
| C11 | C20 | C17 | 89.1° | 81.6° |
| C20 | C11 | H111 | 112.0° | 116.6° |
| C11 | C20 | H201 | 111.0° | 114.5° |
| N16 | C17 | C20 | 89.7° | 84.1° |
| N16 | C17 | C18 | 116.5° | 114.1° |
| N16 | C17 | H171 | 113.0° | 114.2° |
| C33 | C34 | C21 | 120.5° | 120.1° |
| C34 | C33 | C24 | 121.6° | 119.9° |
| C34 | C33 | H331 | 119.2° | 120.1° |
| C33 | C34 | H341 | 119.7° | 120.0° |
| C34 | C21 | C20 | 123.1° | 119.9° |
| C34 | C21 | C22 | 118.2° | 120.3° |
| C21 | C34 | H341 | 119.8° | 119.9° |
| C33 | C24 | C25 | 123.3° | 120.1° |
| C33 | C24 | C23 | 116.5° | 119.8° |
| C24 | C33 | H331 | 119.2° | 120.0° |
| C21 | C20 | C17 | 116.0° | 114.5° |
| C20 | C21 | C22 | 118.7° | 119.9° |
| C21 | C20 | H201 | 111.0° | 113.5° |
| C20 | C17 | C18 | 111.6° | 114.1° |
| C20 | C17 | H171 | 112.1° | 114.1° |
| C17 | C20 | H201 | 111.1° | 114.6° |
| C31 | C32 | C25 | 121.3° | 119.9° |
| C32 | C31 | C30 | 118.9° | 120.1° |
| C32 | C31 | H311 | 120.5° | 119.9° |
| C31 | C32 | H321 | 119.4° | 120.1° |
| C32 | C25 | C24 | 117.9° | 120.1° |
| C32 | C25 | C26 | 118.7° | 119.7° |
| C25 | C32 | H321 | 119.4° | 120.1° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C21 | C22 | H221 | 119.5° | 120.0° |
| C31 | C30 | C28 | 121.1° | 120.2° |
| C31 | C30 | H301 | 119.4° | 119.9° |
| C30 | C31 | H311 | 120.5° | 120.0° |
| C17 | C18 | O19 | 105.8° | 109.4° |
| C18 | C17 | H171 | 112.1° | 113.2° |
| C17 | C18 | H181 | 110.4° | 109.4° |
| C17 | C18 | H182 | 110.4° | 109.5° |
| C25 | C24 | C23 | 120.1° | 120.1° |
| C24 | C25 | C26 | 123.4° | 120.1° |
| C24 | C23 | C22 | 122.2° | 119.8° |
| C24 | C23 | H231 | 118.9° | 120.1° |
| C25 | C26 | C28 | 120.4° | 119.9° |
| C25 | C26 | C27 | 118.4° | 120.0° |
| C23 | C22 | H221 | 119.4° | 119.9° |
| C22 | C23 | H231 | 118.9° | 120.1° |
| C30 | C28 | C26 | 119.5° | 120.1° |
| C30 | C28 | C29 | 119.4° | 119.9° |
| C28 | C30 | H301 | 119.4° | 119.9° |
| O19 | C18 | H181 | 110.4° | 109.5° |
| O19 | C18 | H182 | 110.4° | 109.5° |
| C18 | O19 | H191 | 109.5° | 114.0° |
| C28 | C26 | C27 | 121.2° | 120.1° |
| C26 | C28 | C29 | 121.1° | 120.0° |
| C26 | C27 | H273 | 109.5° | 109.5° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.4° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.4° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 110.4° |
| H121 | C12 | H122 | 109.4° | 108.7° |
| H132 | C13 | H131 | 109.4° | 109.2° |
| H142 | C14 | H141 | 109.5° | 109.7° |
| H151 | C15 | H152 | 109.5° | 109.9° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H273 | C27 | H272 | 109.4° | 109.5° |
| H273 | C27 | H271 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.4° |
| H291 | C29 | H293 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | S02 | C03 | N07 | 97.2° | 84.3° |
| O35 | S02 | C03 | N04 | 83.1° | 95.4° |
| O35 | S02 | C03 | O01 | 113.1° | 132.9° |
| O35 | S02 | C03 | N09 | 124.2° | 113.5° |
| O35 | S02 | O01 | N09 | 121.6° | 123.0° |
| O35 | S02 | N09 | C12 | 22.1° | 22.2° |
| O35 | S02 | N09 | C10 | 154.8° | 157.8° |
| C05 | C06 | N07 | H061 | 180.0° | 179.9° |
| C06 | C05 | N04 | H051 | 180.0° | 179.8° |
| C05 | C06 | N07 | C08 | 179.9° | 180.0° |
| C05 | C06 | N07 | C03 | 0.0° | 0.1° |
| C06 | C05 | N04 | C03 | 0.2° | 0.1° |
| N07 | C06 | C05 | N04 | 0.1° | 0.0° |
| C06 | N07 | C08 | C03 | 179.9° | 179.8° |
| C06 | N07 | C03 | N04 | 0.0° | 0.2° |
| C06 | N07 | C03 | S02 | 179.8° | 180.0° |
| N07 | C06 | C05 | H051 | 179.9° | 179.8° |
| C06 | N07 | C08 | H083 | 180.0° | 90.0° |
| C06 | N07 | C08 | H081 | 60.0° | 150.0° |
| C06 | N07 | C08 | H082 | 60.0° | 30.0° |
| C05 | N04 | C03 | N07 | 0.1° | 0.2° |
| C05 | N04 | C03 | S02 | 179.9° | 180.0° |
| N04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C08 | N07 | C03 | N04 | 180.0° | 179.9° |
| C08 | N07 | C03 | S02 | 0.2° | 0.2° |
| C08 | N07 | C06 | H061 | 0.1° | 0.0° |
| N07 | C08 | H083 | H081 | 120.0° | 120.0° |
| N07 | C08 | H083 | H082 | 120.0° | 120.0° |
| N07 | C08 | H081 | H082 | 120.0° | 120.0° |
| N07 | C03 | N04 | S02 | 179.8° | 179.8° |
| N07 | C03 | S02 | O01 | 15.9° | 48.6° |
| N07 | C03 | S02 | N09 | 138.6° | 162.1° |
| C03 | N07 | C06 | H061 | 180.0° | 179.8° |
| C03 | N07 | C08 | H083 | 0.0° | 90.2° |
| C03 | N07 | C08 | H081 | 120.0° | 29.8° |
| C03 | N07 | C08 | H082 | 120.0° | 149.8° |
| N04 | C03 | S02 | O01 | 163.8° | 131.7° |
| N04 | C03 | S02 | N09 | 41.1° | 18.1° |
| C03 | N04 | C05 | H051 | 179.9° | 179.9° |
| C03 | S02 | O01 | N09 | 122.3° | 114.1° |
| C03 | S02 | N09 | C12 | 99.8° | 91.3° |
| C03 | S02 | N09 | C10 | 83.3° | 88.7° |
| O01 | S02 | N09 | C12 | 138.4° | 155.2° |
| O01 | S02 | N09 | C10 | 38.5° | 24.8° |
| S02 | N09 | C12 | C13 | 81.8° | 143.7° |
| S02 | N09 | C12 | C10 | 177.1° | 180.0° |
| S02 | N09 | C10 | C11 | 113.3° | 109.2° |
| S02 | N09 | C10 | H102 | 7.4° | 9.5° |
| S02 | N09 | C10 | H101 | 126.0° | 132.0° |
| S02 | N09 | C12 | H121 | 38.8° | 22.7° |
| S02 | N09 | C12 | H122 | 157.6° | 95.4° |
| C12 | C13 | C14 | H132 | 121.1° | 120.3° |
| C12 | C13 | C14 | H131 | 121.1° | 120.4° |
| C13 | C12 | N09 | H121 | 120.6° | 121.0° |
| C13 | C12 | N09 | H122 | 120.6° | 120.9° |
| C13 | C12 | N09 | C10 | 95.3° | 36.3° |
| C12 | C13 | C14 | C15 | 26.8° | 61.7° |
| C13 | C12 | H121 | H122 | 118.2° | 118.1° |
| C12 | C13 | H132 | H131 | 116.6° | 119.3° |
| C12 | C13 | C14 | H142 | 147.3° | 58.1° |
| C12 | C13 | C14 | H141 | 93.7° | 178.5° |
| C14 | C13 | C12 | N09 | 80.3° | 98.8° |
| C13 | C14 | C15 | H142 | 120.5° | 119.8° |
| C13 | C14 | C15 | H141 | 120.5° | 119.8° |
| C13 | C14 | C15 | N16 | 93.0° | 59.4° |
| C14 | C13 | C12 | H121 | 159.1° | 140.3° |
| C14 | C13 | C12 | H122 | 40.3° | 22.1° |
| C14 | C13 | H132 | H131 | 116.6° | 119.3° |
| C13 | C14 | H142 | H141 | 118.4° | 120.3° |
| C13 | C14 | C15 | H151 | 27.7° | 178.9° |
| C13 | C14 | C15 | H152 | 146.3° | 60.1° |
| C12 | N09 | C10 | C11 | 63.8° | 70.8° |
| C12 | N09 | C10 | H102 | 175.5° | 170.5° |
| C12 | N09 | C10 | H101 | 56.9° | 48.0° |
| N09 | C12 | H121 | H122 | 118.2° | 118.1° |
| N09 | C12 | C13 | H132 | 158.6° | 140.9° |
| N09 | C12 | C13 | H131 | 40.8° | 21.6° |
| N09 | C10 | C11 | H102 | 120.7° | 118.7° |
| N09 | C10 | C11 | H101 | 120.7° | 118.9° |
| N09 | C10 | C11 | N16 | 93.0° | 48.1° |
| N09 | C10 | C11 | C20 | 166.4° | 40.0° |
| N09 | C10 | H102 | H101 | 117.8° | 122.6° |
| N09 | C10 | C11 | H111 | 37.1° | 175.0° |
| C10 | N09 | C12 | H121 | 144.1° | 157.3° |
| C10 | N09 | C12 | H122 | 25.3° | 84.6° |
| C14 | C15 | N16 | H151 | 120.7° | 119.5° |
| C14 | C15 | N16 | H152 | 120.7° | 119.5° |
| C14 | C15 | N16 | C11 | 22.2° | 136.9° |
| C14 | C15 | N16 | C17 | 108.9° | 119.4° |
| C15 | C14 | C13 | H132 | 94.3° | 178.0° |
| C15 | C14 | C13 | H131 | 147.9° | 58.7° |
| C15 | C14 | H142 | H141 | 118.4° | 120.4° |
| C14 | C15 | H151 | H152 | 117.9° | 121.0° |
| C10 | C11 | N16 | C15 | 83.6° | 75.2° |
| C10 | C11 | N16 | C20 | 117.0° | 118.1° |
| C10 | C11 | N16 | H111 | 130.0° | 125.2° |
| C10 | C11 | C20 | H111 | 129.4° | 144.5° |
| C10 | C11 | N16 | C17 | 125.2° | 155.6° |
| C10 | C11 | C20 | C21 | 115.8° | 114.3° |
| C10 | C11 | C20 | C17 | 125.3° | 132.6° |
| C11 | C10 | H102 | H101 | 117.8° | 122.5° |
| C10 | C11 | C20 | H201 | 13.0° | 19.3° |
| C15 | N16 | C11 | C17 | 151.1° | 129.2° |
| C15 | N16 | C11 | C20 | 159.4° | 166.7° |
| C15 | N16 | C17 | C20 | 145.9° | 152.9° |
| C15 | N16 | C17 | C18 | 100.0° | 93.3° |
| C15 | N16 | C11 | H111 | 46.3° | 50.0° |
| N16 | C15 | C14 | H142 | 146.5° | 60.4° |
| N16 | C15 | C14 | H141 | 27.5° | 179.1° |
| N16 | C15 | H151 | H152 | 117.9° | 121.0° |
| C15 | N16 | C17 | H171 | 32.0° | 39.1° |
| N16 | C11 | C20 | H111 | 113.3° | 117.5° |
| N16 | C11 | C20 | C21 | 126.9° | 147.7° |
| N16 | C11 | C20 | C17 | 8.0° | 34.6° |
| C11 | N16 | C17 | C18 | 122.4° | 150.2° |
| N16 | C11 | C10 | H102 | 146.2° | 166.9° |
| N16 | C11 | C10 | H101 | 27.7° | 70.7° |
| C11 | N16 | C15 | H151 | 98.4° | 103.7° |
| C11 | N16 | C15 | H152 | 142.9° | 17.4° |
| C11 | N16 | C17 | H171 | 105.7° | 77.4° |
| N16 | C11 | C20 | H201 | 104.3° | 78.6° |
| C11 | C20 | C21 | C34 | 31.6° | 53.2° |
| C11 | C20 | C21 | C17 | 103.2° | 91.8° |
| C11 | C20 | C21 | H201 | 128.8° | 134.1° |
| C11 | C20 | C17 | H201 | 112.2° | 113.2° |
| C11 | C20 | C21 | C22 | 148.6° | 127.1° |
| C11 | C20 | C17 | C18 | 126.7° | 149.9° |
| C20 | C11 | C10 | H102 | 45.7° | 78.8° |
| C20 | C11 | C10 | H101 | 72.9° | 158.8° |
| C11 | C20 | C17 | H171 | 106.6° | 77.8° |
| N16 | C17 | C20 | C21 | 127.9° | 149.3° |
| N16 | C17 | C20 | C18 | 118.5° | 113.8° |
| N16 | C17 | C20 | H171 | 114.7° | 113.9° |
| N16 | C17 | C18 | H171 | 132.3° | 132.9° |
| N16 | C17 | C18 | O19 | 137.7° | 87.6° |
| C17 | N16 | C11 | H111 | 104.8° | 79.1° |
| C17 | N16 | C15 | H151 | 130.5° | 0.1° |
| C17 | N16 | C15 | H152 | 11.8° | 121.2° |
| N16 | C17 | C18 | H181 | 18.3° | 152.4° |
| N16 | C17 | C18 | H182 | 102.8° | 32.4° |
| N16 | C17 | C20 | H201 | 104.1° | 77.1° |
| C33 | C34 | C21 | H341 | 180.0° | 179.4° |
| C34 | C33 | C24 | H331 | 180.0° | 179.8° |
| C33 | C34 | C21 | C20 | 180.0° | 179.7° |
| C33 | C34 | C21 | C22 | 0.2° | 0.5° |
| C34 | C33 | C24 | C25 | 179.8° | 179.7° |
| C34 | C33 | C24 | C23 | 0.1° | 0.2° |
| C21 | C34 | C33 | C24 | 0.1° | 0.5° |
| C34 | C21 | C20 | C22 | 179.8° | 179.7° |
| C34 | C21 | C20 | C17 | 71.6° | 38.5° |
| C34 | C21 | C22 | C23 | 0.2° | 0.3° |
| C34 | C21 | C20 | H201 | 160.4° | 172.7° |
| C34 | C21 | C22 | H221 | 179.8° | 179.8° |
| C21 | C34 | C33 | H331 | 179.9° | 179.7° |
| C33 | C24 | C25 | C32 | 89.0° | 129.8° |
| C33 | C24 | C25 | C23 | 179.6° | 179.9° |
| C33 | C24 | C25 | C26 | 92.4° | 49.9° |
| C33 | C24 | C23 | C22 | 0.2° | 0.0° |
| C33 | C24 | C23 | H231 | 179.8° | 180.0° |
| C24 | C33 | C34 | H341 | 179.9° | 180.0° |
| C21 | C20 | C17 | H201 | 128.0° | 133.6° |
| C21 | C20 | C17 | C18 | 113.6° | 96.9° |
| C20 | C21 | C22 | C23 | 180.0° | 180.0° |
| C21 | C20 | C11 | H111 | 13.5° | 30.2° |
| C21 | C20 | C17 | H171 | 13.2° | 35.4° |
| C20 | C21 | C22 | H221 | 0.0° | 0.1° |
| C20 | C21 | C34 | H341 | 0.0° | 0.3° |
| C17 | C20 | C21 | C22 | 108.2° | 141.2° |
| C20 | C17 | C18 | H171 | 126.7° | 132.7° |
| C20 | C17 | C18 | O19 | 36.8° | 178.0° |
| C17 | C20 | C11 | H111 | 105.4° | 82.9° |
| C20 | C17 | C18 | H181 | 82.7° | 58.0° |
| C20 | C17 | C18 | H182 | 156.2° | 62.0° |
| C31 | C32 | C25 | H321 | 180.0° | 179.6° |
| C32 | C31 | C30 | H311 | 180.0° | 179.7° |
| C31 | C32 | C25 | C24 | 179.3° | 179.8° |
| C31 | C32 | C25 | C26 | 0.7° | 0.5° |
| C32 | C31 | C30 | C28 | 0.0° | 0.2° |
| C32 | C31 | C30 | H301 | 180.0° | 179.8° |
| C25 | C32 | C31 | C30 | 0.4° | 0.5° |
| C32 | C25 | C24 | C26 | 178.5° | 179.7° |
| C32 | C25 | C24 | C23 | 90.6° | 50.3° |
| C32 | C25 | C26 | C28 | 0.8° | 0.2° |
| C32 | C25 | C26 | C27 | 179.8° | 179.7° |
| C25 | C32 | C31 | H311 | 179.7° | 179.8° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C22 | C21 | C20 | H201 | 19.8° | 7.0° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| C22 | C21 | C34 | H341 | 179.9° | 180.0° |
| C31 | C30 | C28 | H301 | 180.0° | 180.0° |
| C31 | C30 | C28 | C26 | 0.0° | 0.0° |
| C31 | C30 | C28 | C29 | 179.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.7° | 180.0° |
| C17 | C18 | O19 | H181 | 119.4° | 120.0° |
| C17 | C18 | O19 | H182 | 119.5° | 120.0° |
| C17 | C18 | H181 | H182 | 121.7° | 120.0° |
| C18 | C17 | C20 | H201 | 14.4° | 36.7° |
| C17 | C18 | O19 | H191 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 179.8° | 180.0° |
| C24 | C25 | C26 | C28 | 179.3° | 180.0° |
| C24 | C25 | C26 | C27 | 1.3° | 0.0° |
| C25 | C24 | C23 | H231 | 0.2° | 0.0° |
| C24 | C25 | C32 | H321 | 0.7° | 0.2° |
| C25 | C24 | C33 | H331 | 0.2° | 0.1° |
| C23 | C24 | C25 | C26 | 87.9° | 130.0° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C24 | C23 | C22 | H221 | 179.8° | 179.9° |
| C23 | C24 | C33 | H331 | 179.9° | 180.0° |
| C25 | C26 | C28 | C30 | 0.4° | 0.0° |
| C25 | C26 | C28 | C27 | 179.4° | 180.0° |
| C25 | C26 | C28 | C29 | 179.7° | 180.0° |
| C25 | C26 | C27 | H273 | 89.7° | 90.0° |
| C25 | C26 | C27 | H272 | 150.3° | 150.0° |
| C25 | C26 | C27 | H271 | 30.3° | 30.0° |
| C26 | C25 | C32 | H321 | 179.3° | 180.0° |
| C30 | C28 | C26 | C29 | 179.9° | 180.0° |
| C30 | C28 | C26 | C27 | 179.9° | 180.0° |
| C30 | C28 | C29 | H292 | 89.9° | 90.0° |
| C30 | C28 | C29 | H291 | 150.1° | 30.0° |
| C30 | C28 | C29 | H293 | 30.1° | 150.1° |
| C28 | C30 | C31 | H311 | 180.0° | 180.0° |
| O19 | C18 | C17 | H171 | 89.9° | 45.3° |
| O19 | C18 | H181 | H182 | 121.7° | 120.0° |
| C28 | C26 | C27 | H273 | 89.7° | 90.0° |
| C28 | C26 | C27 | H272 | 30.3° | 30.0° |
| C28 | C26 | C27 | H271 | 150.3° | 150.0° |
| C26 | C28 | C29 | H292 | 90.0° | 90.0° |
| C26 | C28 | C29 | H291 | 30.0° | 150.0° |
| C26 | C28 | C29 | H293 | 150.0° | 29.9° |
| C26 | C28 | C30 | H301 | 180.0° | 180.0° |
| C27 | C26 | C28 | C29 | 0.3° | 0.0° |
| C26 | C27 | H273 | H272 | 120.0° | 120.0° |
| C26 | C27 | H273 | H271 | 120.0° | 120.1° |
| C26 | C27 | H272 | H271 | 120.0° | 120.0° |
| C28 | C29 | H292 | H291 | 120.0° | 120.0° |
| C28 | C29 | H292 | H293 | 120.0° | 120.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.1° |
| C29 | C28 | C30 | H301 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 0.1° | 0.3° |
| H083 | C08 | H081 | H082 | 120.0° | 120.0° |
| H102 | C10 | C11 | H111 | 83.7° | 66.2° |
| H101 | C10 | C11 | H111 | 157.8° | 56.2° |
| H111 | C11 | C20 | H201 | 142.3° | 163.8° |
| H121 | C12 | C13 | H132 | 38.0° | 19.9° |
| H121 | C12 | C13 | H131 | 79.8° | 99.3° |
| H122 | C12 | C13 | H132 | 80.8° | 98.2° |
| H122 | C12 | C13 | H131 | 161.4° | 142.5° |
| H132 | C13 | C14 | H142 | 26.2° | 62.2° |
| H132 | C13 | C14 | H141 | 145.2° | 58.2° |
| H131 | C13 | C14 | H142 | 91.6° | 178.5° |
| H131 | C13 | C14 | H141 | 27.4° | 61.1° |
| H142 | C14 | C15 | H151 | 92.8° | 59.1° |
| H142 | C14 | C15 | H152 | 25.8° | 179.9° |
| H141 | C14 | C15 | H151 | 148.2° | 61.4° |
| H141 | C14 | C15 | H152 | 93.1° | 59.7° |
| H171 | C17 | C18 | H181 | 150.6° | 74.6° |
| H171 | C17 | C18 | H182 | 29.5° | 165.3° |
| H171 | C17 | C20 | H201 | 141.2° | 169.0° |
| H181 | C18 | O19 | H191 | 60.6° | 60.0° |
| H182 | C18 | O19 | H191 | 60.5° | 60.0° |
| H221 | C22 | C23 | H231 | 0.2° | 0.0° |
| H273 | C27 | H272 | H271 | 120.0° | 120.0° |
| H292 | C29 | H291 | H293 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 0.0° | 0.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.2° |
| H331 | C33 | C34 | H341 | 0.1° | 0.3° |
