A1CAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S02 | O01 | doub | 1.42Å | 1.43Å | |
| C03 | S02 | sing | 1.81Å | 1.75Å | |
| C05 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.58Å | |
| C11 | N10 | sing | 1.40Å | 1.47Å | |
| N12 | C11 | doub | 1.31Å | 1.38Å | Aromatic |
| N13 | N12 | sing | 1.40Å | 1.37Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.54Å | 1.57Å | |
| C17 | C16 | sing | 1.55Å | 1.55Å | |
| C19 | O18 | sing | 1.35Å | 1.41Å | |
| C21 | N20 | sing | 1.46Å | 1.48Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| N20 | C19 | sing | 1.35Å | 1.42Å | |
| O25 | C19 | doub | 1.22Å | 1.23Å | |
| O18 | C17 | sing | 1.45Å | 1.46Å | |
| C26 | C17 | sing | 1.55Å | 1.56Å | |
| C27 | C26 | sing | 1.54Å | 1.56Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C28 | C14 | doub | 1.35Å | 1.41Å | Aromatic |
| N10 | C09 | sing | 1.35Å | 1.43Å | |
| O29 | C09 | doub | 1.21Å | 1.23Å | |
| C08 | C07 | sing | 1.51Å | 1.57Å | |
| C30 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | S02 | sing | 1.76Å | 1.82Å | |
| O32 | S02 | doub | 1.42Å | 1.43Å | |
| C04 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C28 | sing | 1.40Å | 1.46Å | Aromatic |
| C15 | C27 | sing | 1.54Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | S02 | C03 | 107.7° | 110.5° |
| O01 | S02 | C04 | 110.4° | 104.3° |
| O01 | S02 | O32 | 111.6° | 121.0° |
| C03 | S02 | C04 | 109.1° | 104.5° |
| C03 | S02 | O32 | 107.6° | 110.6° |
| S02 | C03 | H031 | 109.5° | 109.4° |
| S02 | C03 | H032 | 109.5° | 109.5° |
| S02 | C03 | H033 | 109.5° | 109.5° |
| C04 | C05 | C06 | 124.7° | 120.0° |
| C05 | C04 | S02 | 124.1° | 120.0° |
| C05 | C04 | C31 | 111.3° | 120.0° |
| C04 | C05 | H051 | 117.6° | 120.0° |
| C05 | C06 | C07 | 123.2° | 120.0° |
| C06 | C05 | H051 | 117.6° | 120.0° |
| C05 | C06 | H061 | 118.4° | 120.0° |
| C06 | C07 | C08 | 123.0° | 120.0° |
| C06 | C07 | C30 | 113.0° | 120.0° |
| C07 | C06 | H061 | 118.4° | 120.0° |
| C08 | C09 | N10 | 127.4° | 120.0° |
| C08 | C09 | O29 | 114.7° | 120.0° |
| C09 | C08 | C07 | 117.5° | 109.5° |
| C09 | C08 | H081 | 107.5° | 109.4° |
| C09 | C08 | H082 | 107.4° | 109.4° |
| N10 | C11 | N12 | 125.8° | 126.0° |
| C11 | N10 | C09 | 128.4° | 120.1° |
| N10 | C11 | C28 | 127.3° | 125.9° |
| C11 | N10 | H101 | 115.8° | 120.0° |
| C11 | N12 | N13 | 106.8° | 108.2° |
| N12 | C11 | C28 | 106.8° | 108.0° |
| N12 | N13 | C14 | 113.7° | 108.0° |
| N12 | N13 | H131 | 123.1° | 126.0° |
| N13 | C14 | C15 | 123.3° | 126.0° |
| N13 | C14 | C28 | 103.9° | 107.9° |
| C14 | N13 | H131 | 123.2° | 126.0° |
| C15 | C16 | C17 | 111.2° | 104.2° |
| C16 | C15 | C14 | 115.3° | 110.0° |
| C16 | C15 | C27 | 104.3° | 106.6° |
| C16 | C15 | H151 | 106.6° | 110.1° |
| C15 | C16 | H162 | 109.0° | 110.5° |
| C15 | C16 | H161 | 109.0° | 110.5° |
| C16 | C17 | O18 | 109.2° | 110.8° |
| C16 | C17 | C26 | 99.9° | 102.7° |
| C17 | C16 | H162 | 109.0° | 110.5° |
| C17 | C16 | H161 | 109.0° | 110.6° |
| C16 | C17 | H171 | 109.5° | 110.7° |
| O18 | C19 | N20 | 122.1° | 120.0° |
| O18 | C19 | O25 | 116.6° | 120.0° |
| C19 | O18 | C17 | 120.0° | 117.0° |
| N20 | C21 | C22 | 121.2° | 115.5° |
| N20 | C21 | C23 | 117.1° | 117.5° |
| C21 | N20 | C19 | 122.8° | 120.0° |
| N20 | C21 | C24 | 117.1° | 117.5° |
| C21 | N20 | H201 | 118.6° | 120.0° |
| C22 | C21 | C23 | 115.0° | 117.5° |
| C22 | C21 | C24 | 112.6° | 117.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C21 | C23 | C24 | 61.8° | 60.0° |
| C23 | C21 | C24 | 57.8° | 60.0° |
| C21 | C23 | H232 | 119.7° | 117.5° |
| C21 | C23 | H231 | 119.7° | 117.5° |
| C23 | C24 | C21 | 60.4° | 60.0° |
| C24 | C23 | H232 | 119.7° | 117.5° |
| C24 | C23 | H231 | 119.7° | 117.5° |
| C23 | C24 | H242 | 119.9° | 117.5° |
| C23 | C24 | H241 | 119.9° | 117.5° |
| N20 | C19 | O25 | 121.3° | 120.0° |
| C19 | N20 | H201 | 118.6° | 120.0° |
| O18 | C17 | C26 | 117.6° | 110.9° |
| O18 | C17 | H171 | 110.7° | 110.7° |
| C17 | C26 | C27 | 107.9° | 104.2° |
| C26 | C17 | H171 | 109.3° | 110.8° |
| C17 | C26 | H262 | 109.9° | 110.5° |
| C17 | C26 | H261 | 109.9° | 110.4° |
| C26 | C27 | C15 | 106.8° | 106.6° |
| C27 | C26 | H262 | 109.9° | 110.6° |
| C27 | C26 | H261 | 109.9° | 110.6° |
| C26 | C27 | H272 | 110.1° | 110.1° |
| C26 | C27 | H271 | 110.1° | 110.0° |
| C15 | C14 | C28 | 132.7° | 126.1° |
| C14 | C15 | C27 | 115.9° | 110.1° |
| C14 | C15 | H151 | 107.1° | 109.9° |
| C14 | C28 | C11 | 108.7° | 107.9° |
| C14 | C28 | H281 | 125.7° | 126.0° |
| N10 | C09 | O29 | 117.9° | 120.0° |
| C09 | N10 | H101 | 115.8° | 120.0° |
| C08 | C07 | C30 | 124.0° | 120.0° |
| C07 | C08 | H081 | 107.4° | 109.5° |
| C07 | C08 | H082 | 107.4° | 109.5° |
| C07 | C30 | C31 | 123.0° | 120.0° |
| C07 | C30 | H301 | 118.5° | 120.0° |
| C30 | C31 | C04 | 124.8° | 120.0° |
| C31 | C30 | H301 | 118.5° | 120.0° |
| C30 | C31 | H311 | 117.6° | 120.0° |
| C04 | S02 | O32 | 110.2° | 104.3° |
| S02 | C04 | C31 | 124.5° | 120.0° |
| C04 | C31 | H311 | 117.6° | 120.0° |
| C11 | C28 | H281 | 125.6° | 126.1° |
| C27 | C15 | H151 | 107.0° | 110.0° |
| C15 | C27 | H272 | 110.1° | 110.1° |
| C15 | C27 | H271 | 110.2° | 110.0° |
| C21 | C24 | H242 | 120.0° | 117.5° |
| C21 | C24 | H241 | 119.9° | 117.5° |
| H162 | C16 | H161 | 109.5° | 110.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 115.5° |
| H242 | C24 | H241 | 109.4° | 115.6° |
| H262 | C26 | H261 | 109.5° | 110.4° |
| H272 | C27 | H271 | 109.5° | 110.0° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | S02 | C03 | C04 | 119.9° | 111.6° |
| O01 | S02 | C03 | O32 | 120.5° | 136.7° |
| O01 | S02 | C04 | C05 | 31.3° | 153.9° |
| O01 | S02 | C04 | O32 | 123.8° | 127.8° |
| O01 | S02 | C04 | C31 | 148.5° | 26.1° |
| O01 | S02 | C03 | H031 | 180.0° | 171.6° |
| O01 | S02 | C03 | H032 | 60.0° | 68.3° |
| O01 | S02 | C03 | H033 | 60.0° | 51.6° |
| C03 | S02 | C04 | C05 | 86.9° | 90.0° |
| C03 | S02 | C04 | O32 | 118.0° | 116.1° |
| C03 | S02 | C04 | C31 | 93.4° | 90.0° |
| S02 | C03 | H031 | H032 | 120.0° | 120.0° |
| S02 | C03 | H031 | H033 | 120.0° | 120.0° |
| S02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.7° |
| C04 | C05 | C06 | C07 | 0.5° | 0.6° |
| C05 | C04 | C31 | C30 | 0.1° | 0.0° |
| C05 | C04 | S02 | C31 | 179.8° | 180.0° |
| C05 | C04 | S02 | O32 | 155.1° | 26.1° |
| C04 | C05 | C06 | H061 | 179.5° | 180.0° |
| C05 | C04 | C31 | H311 | 179.8° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.4° |
| C05 | C06 | C07 | C08 | 179.3° | 179.4° |
| C05 | C06 | C07 | C30 | 0.8° | 0.6° |
| C06 | C05 | C04 | S02 | 179.8° | 179.7° |
| C06 | C05 | C04 | C31 | 0.1° | 0.3° |
| C06 | C07 | C08 | C09 | 117.8° | 90.0° |
| C06 | C07 | C08 | C30 | 178.3° | 180.0° |
| C06 | C07 | C30 | C31 | 0.8° | 0.3° |
| C06 | C07 | C30 | H301 | 179.3° | 180.0° |
| C07 | C06 | C05 | H051 | 179.5° | 179.7° |
| C06 | C07 | C08 | H081 | 121.0° | 29.9° |
| C06 | C07 | C08 | H082 | 3.3° | 150.0° |
| C08 | C09 | N10 | C11 | 179.2° | 180.0° |
| C08 | C09 | N10 | O29 | 178.7° | 179.9° |
| C09 | C08 | C07 | H081 | 121.2° | 120.0° |
| C09 | C08 | C07 | H082 | 121.1° | 120.0° |
| C09 | C08 | C07 | C30 | 60.4° | 90.0° |
| C09 | C08 | H081 | H082 | 116.4° | 119.9° |
| C08 | C09 | N10 | H101 | 0.7° | 0.0° |
| N10 | C11 | N12 | C28 | 179.0° | 179.8° |
| N10 | C11 | N12 | N13 | 179.3° | 180.0° |
| N10 | C11 | C28 | C14 | 179.2° | 180.0° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | O29 | 2.0° | 0.1° |
| N10 | C11 | C28 | H281 | 0.8° | 0.0° |
| C11 | N12 | N13 | C14 | 0.4° | 0.2° |
| N12 | C11 | C28 | C14 | 0.2° | 0.3° |
| N12 | C11 | N10 | C09 | 163.2° | 179.7° |
| N12 | C11 | C28 | H281 | 179.8° | 179.8° |
| N12 | C11 | N10 | H101 | 16.8° | 0.3° |
| C11 | N12 | N13 | H131 | 179.6° | 179.8° |
| N12 | N13 | C14 | H131 | 180.0° | 180.0° |
| N12 | N13 | C14 | C15 | 179.8° | 180.0° |
| N12 | N13 | C14 | C28 | 0.2° | 0.0° |
| N13 | N12 | C11 | C28 | 0.3° | 0.3° |
| N13 | C14 | C15 | C16 | 107.2° | 33.7° |
| N13 | C14 | C15 | C28 | 179.3° | 179.9° |
| N13 | C14 | C28 | C11 | 0.0° | 0.1° |
| N13 | C14 | C15 | C27 | 130.6° | 83.6° |
| N13 | C14 | C15 | H151 | 11.3° | 155.1° |
| N13 | C14 | C28 | H281 | 180.0° | 179.9° |
| C15 | C16 | C17 | H162 | 120.3° | 118.7° |
| C15 | C16 | C17 | H161 | 120.2° | 118.8° |
| C15 | C16 | C17 | O18 | 98.3° | 156.4° |
| C15 | C16 | C17 | C26 | 25.6° | 37.9° |
| C16 | C15 | C27 | C26 | 10.2° | 0.0° |
| C16 | C15 | C14 | C27 | 122.3° | 117.2° |
| C16 | C15 | C14 | H151 | 118.4° | 121.4° |
| C16 | C15 | C14 | C28 | 73.5° | 146.4° |
| C16 | C15 | C27 | H151 | 112.8° | 119.3° |
| C15 | C16 | H162 | H161 | 119.2° | 122.6° |
| C15 | C16 | C17 | H171 | 140.3° | 80.4° |
| C16 | C15 | C27 | H272 | 109.4° | 119.3° |
| C16 | C15 | C27 | H271 | 129.7° | 119.3° |
| C16 | C17 | O18 | C19 | 175.3° | 150.0° |
| C16 | C17 | O18 | C26 | 112.7° | 113.4° |
| C16 | C17 | O18 | H171 | 120.7° | 123.2° |
| C16 | C17 | C26 | H171 | 114.9° | 118.3° |
| C16 | C17 | C26 | C27 | 31.5° | 38.0° |
| C17 | C16 | C15 | C14 | 118.0° | 143.0° |
| C17 | C16 | C15 | C27 | 10.3° | 23.6° |
| C17 | C16 | C15 | H151 | 123.3° | 95.7° |
| C17 | C16 | H162 | H161 | 119.2° | 122.6° |
| C16 | C17 | C26 | H262 | 151.2° | 80.8° |
| C16 | C17 | C26 | H261 | 88.3° | 156.8° |
| O18 | C19 | N20 | C21 | 10.3° | 175.0° |
| O18 | C19 | N20 | O25 | 179.8° | 180.0° |
| C19 | O18 | C17 | C26 | 71.9° | 96.6° |
| C19 | O18 | C17 | H171 | 54.7° | 26.8° |
| O18 | C19 | N20 | H201 | 169.7° | 5.0° |
| N20 | C21 | C22 | C23 | 150.4° | 145.6° |
| N20 | C21 | C22 | C24 | 145.9° | 145.7° |
| N20 | C21 | C23 | C24 | 106.3° | 107.5° |
| C21 | N20 | C19 | H201 | 180.0° | 180.0° |
| C21 | N20 | C19 | O25 | 169.9° | 5.0° |
| N20 | C21 | C22 | H221 | 180.0° | 65.4° |
| N20 | C21 | C22 | H222 | 60.0° | 174.7° |
| N20 | C21 | C22 | H223 | 60.0° | 54.6° |
| N20 | C21 | C23 | H232 | 3.6° | 0.0° |
| N20 | C21 | C23 | H231 | 143.7° | 144.9° |
| N20 | C21 | C24 | H242 | 3.2° | 145.0° |
| N20 | C21 | C24 | H241 | 144.0° | 0.0° |
| C22 | C21 | C23 | C24 | 102.0° | 107.5° |
| C22 | C21 | N20 | C19 | 79.6° | 80.4° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H232 | 148.0° | 145.0° |
| C22 | C21 | C23 | H231 | 8.0° | 0.0° |
| C22 | C21 | C24 | H242 | 144.3° | 0.0° |
| C22 | C21 | C24 | H241 | 3.5° | 145.0° |
| C22 | C21 | N20 | H201 | 100.4° | 99.6° |
| C21 | C23 | C24 | H232 | 110.0° | 107.5° |
| C21 | C23 | C24 | H231 | 110.0° | 107.4° |
| C23 | C21 | N20 | C19 | 130.6° | 133.9° |
| C23 | C21 | C22 | H221 | 29.6° | 149.0° |
| C23 | C21 | C22 | H222 | 90.4° | 29.0° |
| C23 | C21 | C22 | H223 | 149.6° | 91.0° |
| C21 | C23 | H232 | H231 | 143.8° | 145.6° |
| C21 | C23 | C24 | H242 | 109.6° | 107.5° |
| C21 | C23 | C24 | H241 | 109.6° | 107.5° |
| C23 | C21 | N20 | H201 | 49.4° | 46.1° |
| C24 | C23 | H232 | H231 | 143.7° | 145.7° |
| C23 | C24 | H242 | H241 | 144.5° | 145.7° |
| N20 | C19 | O18 | C17 | 163.4° | 180.0° |
| C19 | N20 | C21 | C24 | 65.0° | 65.3° |
| O25 | C19 | O18 | C17 | 16.8° | 0.0° |
| O25 | C19 | N20 | H201 | 10.1° | 175.0° |
| O18 | C17 | C26 | H171 | 127.3° | 123.3° |
| O18 | C17 | C26 | C27 | 86.3° | 156.3° |
| O18 | C17 | C16 | H162 | 21.9° | 37.7° |
| O18 | C17 | C16 | H161 | 141.5° | 84.8° |
| O18 | C17 | C26 | H262 | 33.4° | 37.6° |
| O18 | C17 | C26 | H261 | 153.9° | 84.9° |
| C17 | C26 | C27 | H262 | 119.7° | 118.7° |
| C17 | C26 | C27 | H261 | 119.7° | 118.7° |
| C17 | C26 | C27 | C15 | 27.2° | 23.7° |
| C26 | C17 | C16 | H162 | 145.9° | 80.8° |
| C26 | C17 | C16 | H161 | 94.6° | 156.7° |
| C17 | C26 | H262 | H261 | 120.7° | 122.5° |
| C17 | C26 | C27 | H272 | 92.4° | 95.7° |
| C17 | C26 | C27 | H271 | 146.8° | 142.9° |
| C26 | C27 | C15 | C14 | 138.1° | 119.3° |
| C26 | C27 | C15 | H272 | 119.6° | 119.4° |
| C26 | C27 | C15 | H271 | 119.6° | 119.2° |
| C26 | C27 | C15 | H151 | 102.6° | 119.4° |
| C27 | C26 | C17 | H171 | 146.4° | 80.3° |
| C27 | C26 | H262 | H261 | 120.8° | 122.7° |
| C26 | C27 | H272 | H271 | 121.2° | 121.4° |
| C15 | C14 | C28 | C11 | 179.5° | 179.8° |
| C14 | C15 | C27 | H151 | 119.3° | 121.3° |
| C14 | C15 | C16 | H162 | 2.3° | 24.2° |
| C14 | C15 | C16 | H161 | 121.8° | 98.2° |
| C14 | C15 | C27 | H272 | 18.5° | 121.4° |
| C14 | C15 | C27 | H271 | 102.4° | 0.1° |
| C15 | C14 | C28 | H281 | 0.6° | 0.2° |
| C15 | C14 | N13 | H131 | 0.2° | 0.1° |
| C14 | C28 | C11 | H281 | 180.0° | 180.0° |
| C28 | C14 | C15 | C27 | 48.8° | 96.4° |
| C28 | C14 | C15 | H151 | 168.1° | 25.0° |
| C28 | C14 | N13 | H131 | 179.7° | 180.0° |
| N10 | C09 | C08 | C07 | 69.0° | 179.9° |
| C09 | N10 | C11 | C28 | 15.6° | 0.0° |
| N10 | C09 | C08 | H081 | 52.2° | 60.0° |
| N10 | C09 | C08 | H082 | 169.9° | 60.0° |
| O29 | C09 | C08 | C07 | 109.7° | 0.0° |
| O29 | C09 | C08 | H081 | 129.1° | 120.0° |
| O29 | C09 | C08 | H082 | 11.4° | 120.1° |
| O29 | C09 | N10 | H101 | 178.0° | 180.0° |
| C08 | C07 | C30 | C31 | 179.2° | 179.8° |
| C08 | C07 | C30 | H301 | 0.8° | 0.0° |
| C08 | C07 | C06 | H061 | 0.7° | 0.0° |
| C07 | C08 | H081 | H082 | 116.4° | 120.1° |
| C07 | C30 | C31 | H301 | 180.0° | 179.8° |
| C07 | C30 | C31 | C04 | 0.3° | 0.0° |
| C30 | C07 | C06 | H061 | 179.1° | 180.0° |
| C30 | C07 | C08 | H081 | 60.7° | 150.0° |
| C30 | C07 | C08 | H082 | 178.4° | 30.0° |
| C07 | C30 | C31 | H311 | 179.7° | 179.9° |
| C30 | C31 | C04 | S02 | 179.9° | 180.0° |
| C30 | C31 | C04 | H311 | 180.0° | 179.9° |
| C04 | S02 | C03 | H031 | 60.1° | 60.0° |
| C04 | S02 | C03 | H032 | 59.9° | 180.0° |
| C04 | S02 | C03 | H033 | 179.9° | 60.0° |
| S02 | C04 | C05 | H051 | 0.1° | 0.0° |
| S02 | C04 | C31 | H311 | 0.1° | 0.1° |
| O32 | S02 | C04 | C31 | 24.6° | 153.9° |
| O32 | S02 | C03 | H031 | 59.5° | 51.7° |
| O32 | S02 | C03 | H032 | 179.5° | 68.4° |
| O32 | S02 | C03 | H033 | 60.5° | 171.7° |
| C04 | C31 | C30 | H301 | 179.7° | 179.8° |
| C31 | C04 | C05 | H051 | 179.9° | 179.9° |
| C28 | C11 | N10 | H101 | 164.4° | 180.0° |
| C27 | C15 | C16 | H162 | 130.5° | 95.1° |
| C27 | C15 | C16 | H161 | 110.0° | 142.4° |
| C15 | C27 | C26 | H262 | 146.9° | 95.0° |
| C15 | C27 | C26 | H261 | 92.6° | 142.3° |
| C15 | C27 | H272 | H271 | 121.3° | 121.4° |
| C24 | C21 | C22 | H221 | 34.1° | 80.3° |
| C24 | C21 | C22 | H222 | 154.0° | 39.6° |
| C24 | C21 | C22 | H223 | 85.9° | 159.7° |
| C21 | C24 | H242 | H241 | 144.5° | 145.7° |
| C24 | C21 | N20 | H201 | 115.0° | 114.7° |
| H151 | C15 | C16 | H162 | 116.4° | 145.6° |
| H151 | C15 | C16 | H161 | 3.1° | 23.1° |
| H151 | C15 | C27 | H272 | 137.9° | 0.0° |
| H151 | C15 | C27 | H271 | 17.0° | 121.4° |
| H162 | C16 | C17 | H171 | 99.5° | 160.9° |
| H161 | C16 | C17 | H171 | 20.1° | 38.4° |
| H171 | C17 | C26 | H262 | 93.9° | 160.9° |
| H171 | C17 | C26 | H261 | 26.6° | 38.5° |
| H221 | C22 | H222 | H223 | 119.9° | 120.0° |
| H232 | C23 | C24 | H242 | 0.3° | 145.0° |
| H232 | C23 | C24 | H241 | 140.5° | 0.0° |
| H231 | C23 | C24 | H242 | 140.4° | 0.0° |
| H231 | C23 | C24 | H241 | 0.4° | 145.1° |
| H262 | C26 | C27 | H272 | 27.4° | 145.6° |
| H262 | C26 | C27 | H271 | 93.5° | 24.2° |
| H261 | C26 | C27 | H272 | 147.9° | 23.0° |
| H261 | C26 | C27 | H271 | 27.0° | 98.4° |
| H301 | C30 | C31 | H311 | 0.3° | 0.3° |
| H031 | C03 | H032 | H033 | 119.9° | 120.0° |
| H051 | C05 | C06 | H061 | 0.5° | 0.3° |
