N39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C09 | doub | 1.34Å | 1.40Å | Aromatic |
| C10 | N02 | sing | 1.37Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C11 | C16 | sing | 1.53Å | 1.68Å | |
| C11 | N32 | sing | 1.47Å | 1.39Å | |
| C12 | O13 | sing | 1.34Å | 1.41Å | |
| C12 | O15 | doub | 1.21Å | 1.18Å | |
| O13 | C14 | sing | 1.45Å | 1.41Å | |
| C16 | C17 | sing | 1.50Å | 1.41Å | |
| C17 | C18 | doub | 1.32Å | 1.52Å | |
| C18 | C19 | sing | 1.47Å | 1.55Å | |
| C18 | C24 | sing | 1.50Å | 1.44Å | |
| C19 | O20 | sing | 1.35Å | 1.42Å | |
| C19 | O23 | doub | 1.22Å | 1.19Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | O20 | sing | 1.45Å | 1.42Å | |
| C24 | C25 | sing | 1.51Å | 1.48Å | |
| C25 | O26 | sing | 1.34Å | 1.44Å | |
| C25 | O31 | doub | 1.21Å | 1.19Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | C29 | sing | 1.53Å | 1.56Å | |
| C27 | C30 | sing | 1.53Å | 1.56Å | |
| C27 | O26 | sing | 1.45Å | 1.42Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | S33 | sing | 1.76Å | 1.85Å | |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.51Å | 1.55Å | |
| C38 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | N02 | sing | 1.46Å | 1.47Å | |
| C03 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | C08 | sing | 1.41Å | 1.38Å | Aromatic |
| C03 | N02 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.37Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.43Å | Aromatic |
| C08 | C09 | sing | 1.47Å | 1.43Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| N32 | S33 | sing | 1.66Å | 1.76Å | |
| O34 | S33 | doub | 1.42Å | 1.47Å | |
| O42 | S33 | doub | 1.42Å | 1.47Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| N32 | C24 | sing | 1.47Å | 1.71Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 125.9° | 125.0° |
| C11 | C10 | N02 | 127.2° | 125.1° |
| C10 | C11 | C12 | 105.9° | 109.8° |
| C10 | C11 | C16 | 108.8° | 109.7° |
| C10 | C11 | N32 | 113.2° | 109.8° |
| C09 | C10 | N02 | 107.0° | 110.0° |
| C10 | C09 | C08 | 108.2° | 107.0° |
| C10 | C09 | H091 | 125.9° | 126.5° |
| C10 | N02 | C01 | 126.1° | 125.0° |
| C10 | N02 | C03 | 110.4° | 109.9° |
| C12 | C11 | C16 | 106.6° | 109.7° |
| C12 | C11 | N32 | 109.8° | 109.8° |
| C11 | C12 | O13 | 119.8° | 120.0° |
| C11 | C12 | O15 | 120.6° | 120.0° |
| C16 | C11 | N32 | 112.2° | 108.1° |
| C11 | C16 | C17 | 115.0° | 110.4° |
| C11 | C16 | H162 | 108.1° | 109.3° |
| C11 | C16 | H161 | 108.1° | 109.3° |
| C11 | N32 | S33 | 120.3° | 121.3° |
| C11 | N32 | C24 | 109.7° | 117.3° |
| O13 | C12 | O15 | 119.6° | 120.0° |
| C12 | O13 | C14 | 113.7° | 117.0° |
| O13 | C14 | H142 | 109.5° | 109.5° |
| O13 | C14 | H143 | 109.5° | 109.4° |
| O13 | C14 | H141 | 109.5° | 109.4° |
| C16 | C17 | C18 | 120.9° | 124.3° |
| C17 | C16 | H162 | 108.1° | 109.3° |
| C17 | C16 | H161 | 108.1° | 109.3° |
| C16 | C17 | H171 | 119.6° | 117.9° |
| C17 | C18 | C19 | 118.6° | 118.3° |
| C17 | C18 | C24 | 121.5° | 123.4° |
| C18 | C17 | H171 | 119.6° | 117.8° |
| C19 | C18 | C24 | 118.7° | 118.4° |
| C18 | C19 | O20 | 119.4° | 120.0° |
| C18 | C19 | O23 | 119.9° | 120.0° |
| C18 | C24 | C25 | 106.7° | 109.5° |
| C18 | C24 | H241 | 108.8° | 109.5° |
| C18 | C24 | N32 | 115.5° | 109.2° |
| O20 | C19 | O23 | 120.7° | 120.0° |
| C19 | O20 | C21 | 114.2° | 117.0° |
| C22 | C21 | O20 | 107.5° | 109.5° |
| C22 | C21 | H212 | 110.0° | 109.4° |
| C22 | C21 | H211 | 110.0° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| O20 | C21 | H212 | 109.9° | 109.5° |
| O20 | C21 | H211 | 110.0° | 109.5° |
| C24 | C25 | O26 | 120.0° | 120.0° |
| C24 | C25 | O31 | 120.1° | 120.0° |
| C25 | C24 | H241 | 108.2° | 109.5° |
| C25 | C24 | N32 | 111.8° | 109.5° |
| O26 | C25 | O31 | 119.8° | 120.0° |
| C25 | O26 | C27 | 114.0° | 117.0° |
| C28 | C27 | C29 | 97.2° | 109.5° |
| C28 | C27 | C30 | 140.1° | 109.5° |
| C28 | C27 | O26 | 97.1° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C29 | C27 | C30 | 96.1° | 109.5° |
| C29 | C27 | O26 | 140.8° | 109.4° |
| C27 | C29 | H292 | 109.5° | 109.5° |
| C27 | C29 | H293 | 109.5° | 109.5° |
| C27 | C29 | H291 | 109.5° | 109.5° |
| C30 | C27 | O26 | 95.8° | 109.5° |
| C27 | C30 | H301 | 109.5° | 109.5° |
| C27 | C30 | H302 | 109.5° | 109.4° |
| C27 | C30 | H303 | 109.5° | 109.5° |
| C36 | C35 | C41 | 120.2° | 120.0° |
| C36 | C35 | S33 | 120.5° | 120.0° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C35 | C36 | H361 | 120.2° | 120.0° |
| C41 | C35 | S33 | 119.3° | 120.0° |
| C35 | C41 | C40 | 119.5° | 120.0° |
| C35 | C41 | H411 | 120.2° | 120.0° |
| C35 | S33 | N32 | 112.4° | 107.2° |
| C35 | S33 | O34 | 110.4° | 106.4° |
| C35 | S33 | O42 | 109.6° | 106.4° |
| C36 | C37 | C38 | 120.1° | 120.0° |
| C37 | C36 | H361 | 120.2° | 120.0° |
| C36 | C37 | H371 | 119.9° | 120.0° |
| C37 | C38 | C39 | 121.4° | 120.0° |
| C37 | C38 | C40 | 119.8° | 120.0° |
| C38 | C37 | H371 | 120.0° | 120.0° |
| C39 | C38 | C40 | 118.9° | 120.0° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H393 | 109.4° | 109.5° |
| C38 | C40 | C41 | 120.8° | 120.0° |
| C38 | C40 | H401 | 119.6° | 120.1° |
| C01 | N02 | C03 | 123.5° | 125.1° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| C04 | C03 | C08 | 120.1° | 119.4° |
| C04 | C03 | N02 | 131.2° | 133.5° |
| C03 | C04 | C05 | 119.9° | 119.8° |
| C03 | C04 | H041 | 120.0° | 120.1° |
| C08 | C03 | N02 | 108.7° | 107.1° |
| C03 | C08 | C07 | 120.1° | 119.9° |
| C03 | C08 | C09 | 105.7° | 106.1° |
| C04 | C05 | C06 | 120.0° | 120.7° |
| C05 | C04 | H041 | 120.0° | 120.1° |
| C04 | C05 | H051 | 120.0° | 119.6° |
| C05 | C06 | C07 | 120.0° | 120.5° |
| C06 | C05 | H051 | 120.0° | 119.7° |
| C05 | C06 | H061 | 120.0° | 119.7° |
| C06 | C07 | C08 | 119.9° | 119.8° |
| C07 | C06 | H061 | 120.0° | 119.8° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C07 | C08 | C09 | 134.2° | 134.0° |
| C08 | C07 | H071 | 120.1° | 120.1° |
| C08 | C09 | H091 | 125.9° | 126.5° |
| C41 | C40 | H401 | 119.6° | 120.0° |
| C40 | C41 | H411 | 120.2° | 120.0° |
| N32 | S33 | O34 | 111.3° | 106.4° |
| N32 | S33 | O42 | 111.8° | 106.4° |
| S33 | N32 | C24 | 114.4° | 121.3° |
| O34 | S33 | O42 | 100.8° | 123.1° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.2° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H241 | C24 | N32 | 105.7° | 109.5° |
| H283 | C28 | H281 | 109.4° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H292 | C29 | H293 | 109.4° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.4° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | N02 | 178.9° | 179.7° |
| C10 | C11 | C12 | C16 | 115.7° | 120.7° |
| C10 | C11 | C12 | N32 | 122.6° | 120.7° |
| C10 | C11 | C16 | N32 | 126.1° | 119.7° |
| C10 | C11 | C12 | O13 | 96.0° | 155.0° |
| C10 | C11 | C12 | O15 | 83.2° | 25.0° |
| C10 | C11 | C16 | C17 | 79.2° | 165.3° |
| C11 | C10 | N02 | C01 | 1.1° | 0.1° |
| C11 | C10 | N02 | C03 | 179.4° | 180.0° |
| C11 | C10 | C09 | C08 | 179.3° | 180.0° |
| C10 | C11 | N32 | S33 | 158.0° | 2.0° |
| C10 | C11 | C16 | H162 | 159.9° | 74.3° |
| C10 | C11 | C16 | H161 | 41.6° | 45.1° |
| C11 | C10 | C09 | H091 | 0.6° | 0.0° |
| C10 | C11 | N32 | C24 | 66.2° | 178.1° |
| C09 | C10 | C11 | C12 | 104.8° | 21.8° |
| C09 | C10 | C11 | C16 | 9.4° | 142.5° |
| C09 | C10 | C11 | N32 | 134.8° | 98.9° |
| C09 | C10 | N02 | C01 | 179.9° | 179.8° |
| C10 | C09 | C08 | C03 | 0.2° | 0.1° |
| C09 | C10 | N02 | C03 | 0.5° | 0.3° |
| C10 | C09 | C08 | C07 | 179.7° | 179.8° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| N02 | C10 | C11 | C12 | 73.9° | 158.5° |
| N02 | C10 | C11 | C16 | 171.9° | 37.8° |
| N02 | C10 | C11 | N32 | 46.5° | 80.8° |
| C10 | N02 | C01 | C03 | 179.5° | 179.9° |
| C10 | N02 | C03 | C04 | 179.7° | 179.8° |
| C10 | N02 | C03 | C08 | 0.4° | 0.2° |
| N02 | C10 | C09 | C08 | 0.5° | 0.2° |
| C10 | N02 | C01 | H013 | 180.0° | 88.6° |
| C10 | N02 | C01 | H011 | 60.0° | 151.4° |
| C10 | N02 | C01 | H012 | 60.0° | 31.4° |
| N02 | C10 | C09 | H091 | 179.5° | 179.7° |
| C12 | C11 | C16 | N32 | 120.2° | 119.7° |
| C11 | C12 | O13 | O15 | 179.2° | 180.0° |
| C11 | C12 | O13 | C14 | 158.6° | 180.0° |
| C12 | C11 | C16 | C17 | 167.0° | 74.0° |
| C12 | C11 | N32 | S33 | 40.0° | 122.8° |
| C12 | C11 | C16 | H162 | 46.2° | 46.4° |
| C12 | C11 | C16 | H161 | 72.2° | 165.8° |
| C12 | C11 | N32 | C24 | 175.7° | 57.4° |
| C16 | C11 | C12 | O13 | 19.7° | 84.3° |
| C16 | C11 | C12 | O15 | 161.1° | 95.7° |
| C11 | C16 | C17 | H162 | 120.8° | 120.3° |
| C11 | C16 | C17 | H161 | 120.8° | 120.2° |
| C11 | C16 | C17 | C18 | 9.8° | 18.9° |
| C16 | C11 | N32 | S33 | 78.4° | 117.6° |
| C11 | C16 | H162 | H161 | 117.5° | 119.5° |
| C11 | C16 | C17 | H171 | 170.2° | 161.0° |
| C16 | C11 | N32 | C24 | 57.4° | 62.3° |
| N32 | C11 | C12 | O13 | 141.4° | 34.3° |
| N32 | C11 | C12 | O15 | 39.4° | 145.7° |
| N32 | C11 | C16 | C17 | 46.8° | 45.7° |
| C11 | N32 | C24 | C18 | 38.6° | 43.2° |
| C11 | N32 | C24 | C25 | 83.7° | 163.2° |
| C11 | N32 | S33 | C35 | 98.7° | 86.6° |
| C11 | N32 | S33 | C24 | 133.8° | 179.9° |
| C11 | N32 | S33 | O34 | 25.7° | 26.9° |
| C11 | N32 | S33 | O42 | 137.5° | 159.9° |
| N32 | C11 | C16 | H162 | 74.0° | 166.0° |
| N32 | C11 | C16 | H161 | 167.6° | 74.5° |
| C11 | N32 | C24 | H241 | 158.9° | 76.7° |
| C12 | O13 | C14 | H142 | 180.0° | 60.0° |
| C12 | O13 | C14 | H143 | 60.0° | 60.0° |
| C12 | O13 | C14 | H141 | 60.0° | 180.0° |
| O15 | C12 | O13 | C14 | 22.2° | 0.0° |
| O13 | C14 | H142 | H143 | 120.0° | 120.0° |
| O13 | C14 | H142 | H141 | 120.0° | 120.0° |
| O13 | C14 | H143 | H141 | 120.0° | 120.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 176.8° | 179.2° |
| C16 | C17 | C18 | C24 | 9.5° | 0.7° |
| C17 | C16 | H162 | H161 | 117.5° | 119.5° |
| C17 | C18 | C19 | C24 | 167.6° | 179.9° |
| C17 | C18 | C19 | O20 | 17.8° | 174.3° |
| C17 | C18 | C19 | O23 | 161.7° | 5.7° |
| C17 | C18 | C24 | C25 | 121.8° | 131.0° |
| C18 | C17 | C16 | H162 | 111.0° | 139.3° |
| C18 | C17 | C16 | H161 | 130.6° | 101.3° |
| C17 | C18 | C24 | H241 | 121.7° | 109.0° |
| C17 | C18 | C24 | N32 | 3.1° | 11.0° |
| C18 | C19 | O20 | O23 | 179.5° | 180.0° |
| C18 | C19 | O20 | C21 | 163.9° | 175.1° |
| C19 | C18 | C24 | C25 | 70.9° | 49.0° |
| C19 | C18 | C17 | H171 | 3.2° | 0.9° |
| C19 | C18 | C24 | H241 | 45.5° | 71.1° |
| C19 | C18 | C24 | N32 | 164.1° | 169.0° |
| C24 | C18 | C19 | O20 | 174.6° | 5.7° |
| C24 | C18 | C19 | O23 | 5.9° | 174.2° |
| C18 | C24 | C25 | H241 | 116.9° | 120.1° |
| C18 | C24 | C25 | N32 | 127.1° | 119.8° |
| C18 | C24 | C25 | O26 | 8.6° | 47.3° |
| C18 | C24 | C25 | O31 | 171.7° | 132.7° |
| C18 | C24 | N32 | S33 | 100.0° | 136.7° |
| C24 | C18 | C17 | H171 | 170.5° | 179.2° |
| C18 | C24 | H241 | N32 | 124.6° | 119.8° |
| C19 | O20 | C21 | C22 | 178.1° | 174.9° |
| C19 | O20 | C21 | H212 | 58.4° | 65.1° |
| C19 | O20 | C21 | H211 | 62.2° | 55.0° |
| O23 | C19 | O20 | C21 | 16.6° | 4.9° |
| C22 | C21 | O20 | H212 | 119.7° | 120.0° |
| C22 | C21 | O20 | H211 | 119.7° | 120.0° |
| C22 | C21 | H212 | H211 | 120.9° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H221 | 120.0° | 120.1° |
| C21 | C22 | H223 | H221 | 120.0° | 120.0° |
| O20 | C21 | H212 | H211 | 120.9° | 120.1° |
| O20 | C21 | C22 | H222 | 180.0° | 175.0° |
| O20 | C21 | C22 | H223 | 60.0° | 65.0° |
| O20 | C21 | C22 | H221 | 60.0° | 55.0° |
| C24 | C25 | O26 | O31 | 179.7° | 180.0° |
| C24 | C25 | O26 | C27 | 148.4° | 174.7° |
| C25 | C24 | N32 | S33 | 137.8° | 16.7° |
| C25 | C24 | H241 | N32 | 119.9° | 120.1° |
| C25 | O26 | C27 | C28 | 90.0° | 60.6° |
| C25 | O26 | C27 | C29 | 20.7° | 59.4° |
| C25 | O26 | C27 | C30 | 127.7° | 179.4° |
| O26 | C25 | C24 | H241 | 125.5° | 167.4° |
| O26 | C25 | C24 | N32 | 118.5° | 72.5° |
| O31 | C25 | O26 | C27 | 31.9° | 5.4° |
| O31 | C25 | C24 | H241 | 54.8° | 12.6° |
| O31 | C25 | C24 | N32 | 61.2° | 107.5° |
| C28 | C27 | C29 | C30 | 142.3° | 120.0° |
| C28 | C27 | C29 | O26 | 110.7° | 120.0° |
| C28 | C27 | C30 | O26 | 108.4° | 120.0° |
| C27 | C28 | H283 | H281 | 120.0° | 120.0° |
| C27 | C28 | H283 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C28 | C27 | C29 | H292 | 180.0° | 60.0° |
| C28 | C27 | C29 | H293 | 60.0° | 180.0° |
| C28 | C27 | C29 | H291 | 60.0° | 60.0° |
| C28 | C27 | C30 | H301 | 180.0° | 65.0° |
| C28 | C27 | C30 | H302 | 60.0° | 175.1° |
| C28 | C27 | C30 | H303 | 60.0° | 55.1° |
| C29 | C27 | C30 | O26 | 142.6° | 120.0° |
| C29 | C27 | C28 | H283 | 180.0° | 59.9° |
| C29 | C27 | C28 | H281 | 60.0° | 180.0° |
| C29 | C27 | C28 | H282 | 60.0° | 60.0° |
| C27 | C29 | H292 | H293 | 120.0° | 120.0° |
| C27 | C29 | H292 | H291 | 120.0° | 120.0° |
| C27 | C29 | H293 | H291 | 120.0° | 120.1° |
| C29 | C27 | C30 | H301 | 71.1° | 175.0° |
| C29 | C27 | C30 | H302 | 168.9° | 55.1° |
| C29 | C27 | C30 | H303 | 48.9° | 64.9° |
| C30 | C27 | C28 | H283 | 71.5° | 180.0° |
| C30 | C27 | C28 | H281 | 168.5° | 60.0° |
| C30 | C27 | C28 | H282 | 48.6° | 60.0° |
| C30 | C27 | C29 | H292 | 37.7° | 60.0° |
| C30 | C27 | C29 | H293 | 82.3° | 60.0° |
| C30 | C27 | C29 | H291 | 157.7° | 180.0° |
| C27 | C30 | H301 | H302 | 120.0° | 119.9° |
| C27 | C30 | H301 | H303 | 120.0° | 120.0° |
| C27 | C30 | H302 | H303 | 120.0° | 120.0° |
| O26 | C27 | C28 | H283 | 36.5° | 60.0° |
| O26 | C27 | C28 | H281 | 83.5° | 60.1° |
| O26 | C27 | C28 | H282 | 156.6° | 180.0° |
| O26 | C27 | C29 | H292 | 69.3° | 180.0° |
| O26 | C27 | C29 | H293 | 170.7° | 60.0° |
| O26 | C27 | C29 | H291 | 50.7° | 60.0° |
| O26 | C27 | C30 | H301 | 71.6° | 55.0° |
| O26 | C27 | C30 | H302 | 48.5° | 64.9° |
| O26 | C27 | C30 | H303 | 168.4° | 175.1° |
| C36 | C35 | C41 | S33 | 180.0° | 179.8° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.0° |
| C36 | C35 | C41 | C40 | 0.8° | 0.1° |
| C36 | C35 | S33 | N32 | 175.9° | 85.6° |
| C36 | C35 | S33 | O34 | 51.0° | 160.9° |
| C36 | C35 | S33 | O42 | 59.1° | 28.0° |
| C35 | C36 | C37 | H371 | 179.3° | 180.0° |
| C36 | C35 | C41 | H411 | 179.2° | 180.0° |
| C41 | C35 | C36 | C37 | 0.2° | 0.1° |
| C35 | C41 | C40 | C38 | 1.3° | 0.1° |
| C35 | C41 | C40 | H411 | 180.0° | 179.9° |
| C41 | C35 | S33 | N32 | 4.1° | 94.6° |
| C41 | C35 | S33 | O34 | 129.0° | 18.9° |
| C41 | C35 | S33 | O42 | 120.9° | 151.8° |
| C41 | C35 | C36 | H361 | 179.9° | 180.0° |
| C35 | C41 | C40 | H401 | 178.7° | 180.0° |
| S33 | C35 | C36 | C37 | 179.8° | 179.7° |
| S33 | C35 | C41 | C40 | 179.2° | 179.7° |
| C35 | S33 | N32 | O34 | 124.4° | 113.5° |
| C35 | S33 | N32 | O42 | 123.7° | 113.6° |
| C35 | S33 | O34 | O42 | 115.7° | 122.9° |
| S33 | C35 | C36 | H361 | 0.2° | 0.2° |
| S33 | C35 | C41 | H411 | 0.8° | 0.3° |
| C35 | S33 | N32 | C24 | 127.5° | 93.5° |
| C36 | C37 | C38 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 179.5° | 179.9° |
| C36 | C37 | C38 | C40 | 0.2° | 0.0° |
| C37 | C38 | C39 | C40 | 179.8° | 180.0° |
| C37 | C38 | C40 | C41 | 0.8° | 0.1° |
| C38 | C37 | C36 | H361 | 179.3° | 180.0° |
| C37 | C38 | C39 | H392 | 90.1° | 90.1° |
| C37 | C38 | C39 | H391 | 149.9° | 150.0° |
| C37 | C38 | C39 | H393 | 29.9° | 30.0° |
| C37 | C38 | C40 | H401 | 179.2° | 179.9° |
| C39 | C38 | C40 | C41 | 179.5° | 179.9° |
| C39 | C38 | C37 | H371 | 0.4° | 0.1° |
| C38 | C39 | H392 | H391 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C39 | C38 | C40 | H401 | 0.5° | 0.0° |
| C38 | C40 | C41 | H401 | 180.0° | 179.9° |
| C40 | C38 | C37 | H371 | 179.8° | 180.0° |
| C40 | C38 | C39 | H392 | 90.1° | 90.0° |
| C40 | C38 | C39 | H391 | 29.9° | 30.0° |
| C40 | C38 | C39 | H393 | 149.9° | 150.0° |
| C38 | C40 | C41 | H411 | 178.7° | 179.9° |
| C01 | N02 | C03 | C04 | 0.1° | 0.1° |
| C01 | N02 | C03 | C08 | 179.9° | 179.9° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C04 | C03 | C08 | N02 | 179.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C08 | C07 | 0.0° | 0.0° |
| C04 | C03 | C08 | C09 | 180.0° | 179.9° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C08 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C08 | C07 | C06 | 0.0° | 0.0° |
| C03 | C08 | C07 | C09 | 180.0° | 179.9° |
| C08 | C03 | C04 | H041 | 180.0° | 180.0° |
| C03 | C08 | C07 | H071 | 180.0° | 179.9° |
| C03 | C08 | C09 | H091 | 179.8° | 179.8° |
| N02 | C03 | C04 | C05 | 179.9° | 180.0° |
| N02 | C03 | C08 | C07 | 179.9° | 180.0° |
| N02 | C03 | C08 | C09 | 0.1° | 0.0° |
| C03 | N02 | C01 | H013 | 0.5° | 91.3° |
| C03 | N02 | C01 | H011 | 120.5° | 28.7° |
| C03 | N02 | C01 | H012 | 119.5° | 148.7° |
| N02 | C03 | C04 | H041 | 0.1° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C06 | C05 | C04 | H041 | 180.0° | 179.9° |
| C05 | C06 | C07 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 180.0° | 179.9° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| C08 | C07 | C06 | H061 | 180.0° | 180.0° |
| C07 | C08 | C09 | H091 | 0.3° | 0.2° |
| C09 | C08 | C07 | H071 | 0.0° | 0.2° |
| N32 | S33 | O34 | O42 | 118.7° | 123.0° |
| S33 | N32 | C24 | H241 | 20.3° | 103.4° |
| O34 | S33 | N32 | C24 | 108.1° | 152.9° |
| O42 | S33 | N32 | C24 | 3.7° | 20.0° |
| H142 | C14 | H143 | H141 | 120.0° | 120.0° |
| H162 | C16 | C17 | H171 | 69.0° | 40.7° |
| H161 | C16 | C17 | H171 | 49.4° | 78.8° |
| H212 | C21 | C22 | H222 | 60.3° | 65.0° |
| H212 | C21 | C22 | H223 | 59.7° | 55.0° |
| H212 | C21 | C22 | H221 | 179.7° | 175.0° |
| H211 | C21 | C22 | H222 | 60.3° | 55.0° |
| H211 | C21 | C22 | H223 | 179.7° | 175.0° |
| H211 | C21 | C22 | H221 | 59.7° | 65.0° |
| H222 | C22 | H223 | H221 | 120.0° | 120.0° |
| H283 | C28 | H281 | H282 | 120.0° | 120.0° |
| H292 | C29 | H293 | H291 | 119.9° | 119.9° |
| H301 | C30 | H302 | H303 | 120.0° | 120.1° |
| H361 | C36 | C37 | H371 | 0.6° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.0° | 0.0° |
| H051 | C05 | C06 | H061 | 0.1° | 0.0° |
| H061 | C06 | C07 | H071 | 0.0° | 0.1° |
| H392 | C39 | H391 | H393 | 120.0° | 120.0° |
| H401 | C40 | C41 | H411 | 1.3° | 0.1° |
