62S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | P11 | sing | 1.61Å | 1.57Å | |
| N10 | C09 | sing | 1.47Å | 1.45Å | |
| O12 | P11 | doub | 1.48Å | 1.49Å | |
| P11 | C09 | sing | 1.82Å | 1.82Å | |
| P11 | C14 | sing | 1.82Å | 1.93Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| C18 | C17 | doub | 1.35Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.45Å | Aromatic |
| O28 | C23 | sing | 1.36Å | 1.41Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C17 | O21 | sing | 1.34Å | 1.33Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.43Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.35Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.48Å | |
| C19 | N20 | doub | 1.31Å | 1.36Å | Aromatic |
| C22 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C01 | sing | 1.51Å | 1.47Å | |
| C05 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.36Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| O21 | N20 | sing | 1.21Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C15 | C29 | sing | 1.51Å | 1.51Å | |
| C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| O34 | C33 | doub | 1.21Å | 1.24Å | |
| N31 | C29 | sing | 1.35Å | 1.50Å | |
| N31 | C32 | sing | 1.46Å | 1.44Å | |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.44Å | Aromatic |
| C29 | O30 | doub | 1.21Å | 1.23Å | |
| C37 | C36 | sing | 1.51Å | 1.56Å | |
| C37 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C33 | N35 | sing | 1.35Å | 1.47Å | |
| C41 | C42 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å | |
| N10 | H1 | sing | 1.01Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N35 | H352 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | P11 | O12 | 112.6° | 109.4° |
| O13 | P11 | C09 | 95.9° | 109.4° |
| O13 | P11 | C14 | 119.2° | 109.5° |
| P11 | O13 | H131 | 109.5° | 114.0° |
| N10 | C09 | P11 | 117.5° | 109.5° |
| N10 | C09 | C08 | 120.2° | 109.5° |
| N10 | C09 | H091 | 107.4° | 109.5° |
| C09 | N10 | H101 | 109.5° | 110.9° |
| C09 | N10 | H1 | 109.5° | 111.0° |
| O12 | P11 | C09 | 107.1° | 109.4° |
| O12 | P11 | C14 | 106.3° | 109.5° |
| C09 | P11 | C14 | 115.2° | 109.5° |
| P11 | C09 | C08 | 100.1° | 109.5° |
| P11 | C09 | H091 | 103.8° | 109.5° |
| P11 | C14 | C15 | 113.6° | 109.5° |
| P11 | C14 | H142 | 108.4° | 109.5° |
| P11 | C14 | H141 | 108.4° | 109.4° |
| C17 | C16 | C15 | 105.5° | 109.4° |
| C16 | C17 | C18 | 133.9° | 126.7° |
| C16 | C17 | O21 | 118.7° | 126.6° |
| C17 | C16 | H161 | 110.5° | 109.5° |
| C17 | C16 | H162 | 110.5° | 109.5° |
| C16 | C15 | C14 | 110.2° | 109.4° |
| C16 | C15 | C29 | 113.4° | 109.5° |
| C16 | C15 | H151 | 101.4° | 109.5° |
| C15 | C16 | H161 | 110.5° | 109.5° |
| C15 | C16 | H162 | 110.5° | 109.5° |
| C17 | C18 | C19 | 102.9° | 103.9° |
| C18 | C17 | O21 | 106.7° | 106.7° |
| C17 | C18 | H181 | 128.5° | 128.0° |
| C18 | C19 | C22 | 132.0° | 126.9° |
| C18 | C19 | N20 | 112.3° | 106.1° |
| C19 | C18 | H181 | 128.6° | 128.1° |
| O28 | C23 | C24 | 123.2° | 120.1° |
| O28 | C23 | C22 | 120.2° | 120.1° |
| C23 | O28 | H281 | 109.5° | 114.0° |
| C09 | C08 | C07 | 111.8° | 109.5° |
| C09 | C08 | H081 | 108.9° | 109.4° |
| C09 | C08 | H082 | 108.9° | 109.5° |
| C08 | C09 | H091 | 106.4° | 109.4° |
| C17 | O21 | N20 | 116.0° | 111.8° |
| C05 | C06 | C01 | 118.2° | 120.0° |
| C06 | C05 | C04 | 120.3° | 120.0° |
| C06 | C05 | H051 | 119.8° | 120.0° |
| C05 | C06 | H061 | 120.9° | 120.0° |
| C06 | C01 | C07 | 119.7° | 120.0° |
| C06 | C01 | C02 | 122.5° | 120.0° |
| C01 | C06 | H061 | 120.9° | 120.0° |
| C24 | C23 | C22 | 116.6° | 119.8° |
| C23 | C24 | C25 | 120.0° | 120.1° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C23 | C22 | C19 | 123.9° | 120.2° |
| C23 | C22 | C27 | 124.0° | 119.7° |
| C08 | C07 | C01 | 125.4° | 109.5° |
| C08 | C07 | H072 | 105.4° | 109.5° |
| C08 | C07 | H071 | 105.4° | 109.5° |
| C07 | C08 | H081 | 108.9° | 109.5° |
| C07 | C08 | H082 | 108.9° | 109.5° |
| C24 | C25 | C26 | 121.9° | 120.3° |
| C25 | C24 | H241 | 120.0° | 119.9° |
| C24 | C25 | H251 | 119.0° | 119.8° |
| C22 | C19 | N20 | 115.7° | 127.0° |
| C19 | C22 | C27 | 112.0° | 120.1° |
| C19 | N20 | O21 | 101.9° | 111.5° |
| C22 | C27 | C26 | 119.6° | 119.9° |
| C22 | C27 | H271 | 120.2° | 120.1° |
| C07 | C01 | C02 | 117.5° | 120.0° |
| C01 | C07 | H072 | 105.4° | 109.5° |
| C01 | C07 | H071 | 105.3° | 109.5° |
| C05 | C04 | C03 | 120.5° | 120.0° |
| C05 | C04 | H041 | 119.8° | 120.0° |
| C04 | C05 | H051 | 119.8° | 120.0° |
| C25 | C26 | C27 | 117.8° | 120.3° |
| C25 | C26 | H261 | 121.1° | 119.9° |
| C26 | C25 | H251 | 119.1° | 119.9° |
| C38 | C39 | C40 | 120.7° | 120.0° |
| C39 | C38 | C37 | 121.4° | 120.0° |
| C39 | C38 | H381 | 119.3° | 120.0° |
| C38 | C39 | H391 | 119.6° | 120.0° |
| C39 | C40 | C41 | 119.0° | 120.0° |
| C40 | C39 | H391 | 119.6° | 120.0° |
| C39 | C40 | H401 | 120.5° | 120.0° |
| C27 | C26 | H261 | 121.1° | 119.8° |
| C26 | C27 | H271 | 120.2° | 120.0° |
| C14 | C15 | C29 | 124.3° | 109.4° |
| C14 | C15 | H151 | 101.9° | 109.5° |
| C15 | C14 | H142 | 108.4° | 109.5° |
| C15 | C14 | H141 | 108.4° | 109.5° |
| C15 | C29 | N31 | 118.3° | 120.0° |
| C15 | C29 | O30 | 117.0° | 120.0° |
| C29 | C15 | H151 | 101.7° | 109.5° |
| C01 | C02 | C03 | 119.2° | 120.0° |
| C01 | C02 | H021 | 120.4° | 120.0° |
| C38 | C37 | C36 | 119.3° | 120.0° |
| C38 | C37 | C42 | 118.3° | 120.0° |
| C37 | C38 | H381 | 119.3° | 120.0° |
| O34 | C33 | C32 | 119.8° | 120.0° |
| O34 | C33 | N35 | 125.4° | 120.0° |
| C29 | N31 | C32 | 123.6° | 120.0° |
| N31 | C29 | O30 | 124.2° | 120.0° |
| C29 | N31 | H311 | 118.2° | 120.0° |
| N31 | C32 | C36 | 106.5° | 109.5° |
| N31 | C32 | C33 | 113.6° | 109.5° |
| N31 | C32 | H321 | 110.2° | 109.5° |
| C32 | N31 | H311 | 118.2° | 120.0° |
| C40 | C41 | C42 | 120.7° | 120.0° |
| C41 | C40 | H401 | 120.5° | 120.0° |
| C40 | C41 | H411 | 119.6° | 120.0° |
| C04 | C03 | C02 | 119.2° | 120.0° |
| C04 | C03 | H031 | 120.4° | 120.0° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C36 | C37 | C42 | 122.3° | 120.0° |
| C37 | C36 | C32 | 111.8° | 109.5° |
| C37 | C36 | H362 | 108.9° | 109.4° |
| C37 | C36 | H361 | 108.9° | 109.5° |
| C37 | C42 | C41 | 119.9° | 120.0° |
| C37 | C42 | H421 | 120.0° | 120.0° |
| C03 | C02 | H021 | 120.4° | 120.0° |
| C02 | C03 | H031 | 120.3° | 120.0° |
| C36 | C32 | C33 | 108.2° | 109.5° |
| C36 | C32 | H321 | 109.0° | 109.4° |
| C32 | C36 | H362 | 108.9° | 109.5° |
| C32 | C36 | H361 | 108.9° | 109.5° |
| C32 | C33 | N35 | 114.8° | 120.0° |
| C33 | C32 | H321 | 109.2° | 109.5° |
| C33 | N35 | H352 | 120.0° | 120.0° |
| C33 | N35 | H351 | 120.0° | 120.0° |
| C42 | C41 | H411 | 119.7° | 120.0° |
| C41 | C42 | H421 | 120.1° | 120.0° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.4° |
| H101 | N10 | H1 | 109.5° | 111.0° |
| H352 | N35 | H351 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | P11 | C09 | N10 | 63.6° | 180.0° |
| O13 | P11 | O12 | C09 | 104.1° | 119.9° |
| O13 | P11 | O12 | C14 | 132.2° | 120.0° |
| O13 | P11 | C09 | C14 | 126.2° | 120.0° |
| O13 | P11 | C09 | C08 | 68.3° | 60.0° |
| O13 | P11 | C14 | C15 | 9.5° | 65.0° |
| O13 | P11 | C09 | H091 | 178.1° | 60.0° |
| O13 | P11 | C14 | H142 | 111.1° | 55.1° |
| O13 | P11 | C14 | H141 | 130.2° | 175.0° |
| N10 | C09 | P11 | O12 | 52.3° | 60.1° |
| N10 | C09 | P11 | C08 | 131.9° | 120.0° |
| N10 | C09 | P11 | H091 | 118.3° | 120.0° |
| N10 | C09 | P11 | C14 | 170.3° | 60.0° |
| N10 | C09 | C08 | H091 | 122.1° | 120.0° |
| N10 | C09 | C08 | C07 | 42.2° | 180.0° |
| N10 | C09 | C08 | H081 | 78.2° | 60.0° |
| N10 | C09 | C08 | H082 | 162.5° | 60.0° |
| C09 | N10 | H101 | H1 | 120.0° | 123.9° |
| O12 | P11 | C09 | C14 | 118.0° | 120.0° |
| O12 | P11 | C09 | C08 | 175.8° | 60.0° |
| O12 | P11 | C14 | C15 | 138.0° | 55.0° |
| O12 | P11 | C09 | H091 | 66.0° | 180.0° |
| O12 | P11 | C14 | H142 | 17.3° | 175.0° |
| O12 | P11 | C14 | H141 | 101.4° | 65.1° |
| O12 | P11 | O13 | H131 | 0.0° | 180.0° |
| P11 | C09 | C08 | H091 | 107.7° | 120.0° |
| P11 | C09 | C08 | C07 | 172.4° | 60.0° |
| C09 | P11 | C14 | C15 | 103.6° | 175.0° |
| P11 | C09 | C08 | H081 | 52.0° | 60.0° |
| P11 | C09 | C08 | H082 | 67.3° | 180.0° |
| C09 | P11 | C14 | H142 | 135.8° | 64.9° |
| C09 | P11 | C14 | H141 | 17.1° | 55.0° |
| P11 | C09 | N10 | H101 | 180.0° | 60.1° |
| P11 | C09 | N10 | H1 | 60.0° | 176.0° |
| C09 | P11 | O13 | H131 | 111.3° | 60.0° |
| P11 | C14 | C15 | C16 | 60.3° | 165.0° |
| C14 | P11 | C09 | C08 | 57.9° | 180.0° |
| P11 | C14 | C15 | H142 | 120.6° | 120.1° |
| P11 | C14 | C15 | H141 | 120.6° | 120.0° |
| P11 | C14 | C15 | C29 | 160.0° | 75.0° |
| P11 | C14 | C15 | H151 | 46.7° | 44.9° |
| C14 | P11 | C09 | H091 | 51.9° | 60.0° |
| P11 | C14 | H142 | H141 | 118.1° | 119.9° |
| C14 | P11 | O13 | H131 | 125.4° | 60.0° |
| C17 | C16 | C15 | H161 | 119.4° | 120.0° |
| C17 | C16 | C15 | H162 | 119.4° | 120.0° |
| C16 | C17 | C18 | O21 | 169.6° | 179.7° |
| C16 | C17 | C18 | C19 | 174.5° | 179.7° |
| C16 | C17 | O21 | N20 | 176.4° | 179.7° |
| C17 | C16 | C15 | C14 | 84.8° | 175.0° |
| C17 | C16 | C15 | C29 | 59.6° | 65.0° |
| C17 | C16 | C15 | H151 | 167.8° | 55.0° |
| C17 | C16 | H161 | H162 | 121.9° | 120.0° |
| C16 | C17 | C18 | H181 | 5.5° | 0.3° |
| C15 | C16 | C17 | C18 | 141.9° | 90.3° |
| C15 | C16 | C17 | O21 | 26.7° | 90.0° |
| C16 | C15 | C14 | C29 | 139.7° | 120.0° |
| C16 | C15 | C14 | H151 | 107.0° | 120.1° |
| C16 | C15 | C29 | H151 | 108.0° | 120.1° |
| C16 | C15 | C29 | N31 | 14.8° | 60.0° |
| C16 | C15 | C29 | O30 | 173.5° | 119.9° |
| C16 | C15 | C14 | H142 | 60.3° | 74.9° |
| C16 | C15 | C14 | H141 | 179.1° | 45.0° |
| C15 | C16 | H161 | H162 | 121.8° | 120.1° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C22 | 176.2° | 180.0° |
| C17 | C18 | C19 | N20 | 3.9° | 0.0° |
| C18 | C17 | O21 | N20 | 4.9° | 0.0° |
| C18 | C17 | C16 | H161 | 98.8° | 29.7° |
| C18 | C17 | C16 | H162 | 22.5° | 149.7° |
| C19 | C18 | C17 | O21 | 5.0° | 0.0° |
| C18 | C19 | C22 | C23 | 27.0° | 179.7° |
| C18 | C19 | C22 | N20 | 179.9° | 180.0° |
| C18 | C19 | C22 | C27 | 152.7° | 0.0° |
| C18 | C19 | N20 | O21 | 1.2° | 0.0° |
| O28 | C23 | C24 | C22 | 178.0° | 180.0° |
| O28 | C23 | C24 | C25 | 179.1° | 180.0° |
| O28 | C23 | C22 | C19 | 1.3° | 0.3° |
| O28 | C23 | C22 | C27 | 178.3° | 180.0° |
| O28 | C23 | C24 | H241 | 0.9° | 0.2° |
| C09 | C08 | C07 | H081 | 120.3° | 119.9° |
| C09 | C08 | C07 | H082 | 120.3° | 120.0° |
| C09 | C08 | C07 | C01 | 177.0° | 180.0° |
| C09 | C08 | C07 | H072 | 54.9° | 60.1° |
| C09 | C08 | C07 | H071 | 60.9° | 60.0° |
| C09 | C08 | H081 | H082 | 118.9° | 120.0° |
| C08 | C09 | N10 | H101 | 57.9° | 60.0° |
| C08 | C09 | N10 | H1 | 178.0° | 63.9° |
| C17 | O21 | N20 | C19 | 2.4° | 0.0° |
| O21 | C17 | C16 | H161 | 92.6° | 150.0° |
| O21 | C17 | C16 | H162 | 146.1° | 30.0° |
| O21 | C17 | C18 | H181 | 175.0° | 180.0° |
| C05 | C06 | C01 | H061 | 180.0° | 180.0° |
| C05 | C06 | C01 | C07 | 176.2° | 179.7° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C05 | C06 | C01 | C02 | 2.9° | 0.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.0° |
| C06 | C05 | C04 | H041 | 179.5° | 180.0° |
| C06 | C01 | C07 | C08 | 81.8° | 90.3° |
| C06 | C01 | C07 | C02 | 173.7° | 179.7° |
| C01 | C06 | C05 | C04 | 1.0° | 0.0° |
| C06 | C01 | C02 | C03 | 3.2° | 0.0° |
| C06 | C01 | C02 | H021 | 176.8° | 180.0° |
| C01 | C06 | C05 | H051 | 179.0° | 179.9° |
| C06 | C01 | C07 | H072 | 156.1° | 29.7° |
| C06 | C01 | C07 | H071 | 40.3° | 149.7° |
| C23 | C24 | C25 | H241 | 180.0° | 179.8° |
| C24 | C23 | C22 | C19 | 179.4° | 179.7° |
| C24 | C23 | C22 | C27 | 0.3° | 0.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.3° |
| C23 | C24 | C25 | H251 | 179.6° | 179.8° |
| C24 | C23 | O28 | H281 | 180.0° | 90.0° |
| C22 | C23 | C24 | C25 | 1.1° | 0.0° |
| C23 | C22 | C19 | C27 | 179.7° | 179.7° |
| C23 | C22 | C19 | N20 | 152.9° | 0.3° |
| C23 | C22 | C27 | C26 | 1.3° | 0.3° |
| C22 | C23 | C24 | H241 | 178.9° | 179.8° |
| C23 | C22 | C27 | H271 | 178.7° | 179.7° |
| C22 | C23 | O28 | H281 | 2.1° | 90.0° |
| C08 | C07 | C01 | H072 | 122.2° | 120.0° |
| C08 | C07 | C01 | H071 | 122.1° | 120.0° |
| C08 | C07 | C01 | C02 | 104.6° | 90.0° |
| C08 | C07 | H072 | H071 | 112.9° | 120.0° |
| C07 | C08 | H081 | H082 | 118.9° | 120.0° |
| C07 | C08 | C09 | H091 | 79.9° | 60.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 1.1° | 0.6° |
| C24 | C25 | C26 | H261 | 178.8° | 180.0° |
| C19 | C22 | C27 | C26 | 179.0° | 180.0° |
| C22 | C19 | N20 | O21 | 178.9° | 180.0° |
| C22 | C19 | C18 | H181 | 3.8° | 0.0° |
| C19 | C22 | C27 | H271 | 1.0° | 0.0° |
| N20 | C19 | C22 | C27 | 27.4° | 180.0° |
| N20 | C19 | C18 | H181 | 176.1° | 180.0° |
| C22 | C27 | C26 | C25 | 1.9° | 0.6° |
| C22 | C27 | C26 | H271 | 180.0° | 180.0° |
| C22 | C27 | C26 | H261 | 178.0° | 180.0° |
| C07 | C01 | C02 | C03 | 176.6° | 179.7° |
| C07 | C01 | C02 | H021 | 3.4° | 0.3° |
| C07 | C01 | C06 | H061 | 3.8° | 0.3° |
| C01 | C07 | H072 | H071 | 112.9° | 120.0° |
| C01 | C07 | C08 | H081 | 62.7° | 60.0° |
| C01 | C07 | C08 | H082 | 56.7° | 60.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | H031 | 179.9° | 179.9° |
| C04 | C05 | C06 | H061 | 179.0° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.4° |
| C26 | C25 | C24 | H241 | 179.6° | 179.9° |
| C25 | C26 | C27 | H271 | 178.0° | 179.4° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C39 | C38 | C37 | H381 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C38 | C37 | C36 | 177.0° | 180.0° |
| C39 | C38 | C37 | C42 | 0.5° | 0.3° |
| C38 | C39 | C40 | H401 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 0.2° | 0.0° |
| C39 | C40 | C41 | H401 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.0° | 0.2° |
| C40 | C39 | C38 | H381 | 179.8° | 180.0° |
| C39 | C40 | C41 | H411 | 180.0° | 180.0° |
| C27 | C26 | C25 | H251 | 178.9° | 179.5° |
| C14 | C15 | C29 | H151 | 113.4° | 120.0° |
| C14 | C15 | C29 | N31 | 153.3° | 180.0° |
| C14 | C15 | C29 | O30 | 35.0° | 0.0° |
| C15 | C14 | H142 | H141 | 118.1° | 120.0° |
| C14 | C15 | C16 | H161 | 34.6° | 55.1° |
| C14 | C15 | C16 | H162 | 155.8° | 65.0° |
| C15 | C29 | N31 | O30 | 171.1° | 180.0° |
| C15 | C29 | N31 | C32 | 174.0° | 180.0° |
| C29 | C15 | C14 | H142 | 79.4° | 45.0° |
| C29 | C15 | C14 | H141 | 39.4° | 165.0° |
| C29 | C15 | C16 | H161 | 179.0° | 175.0° |
| C29 | C15 | C16 | H162 | 59.8° | 54.9° |
| C15 | C29 | N31 | H311 | 6.1° | 0.1° |
| C01 | C02 | C03 | C04 | 1.6° | 0.1° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 178.4° | 179.9° |
| C02 | C01 | C06 | H061 | 177.2° | 180.0° |
| C02 | C01 | C07 | H072 | 17.6° | 150.0° |
| C02 | C01 | C07 | H071 | 133.3° | 30.0° |
| C38 | C37 | C36 | C42 | 176.4° | 179.7° |
| C38 | C37 | C36 | C32 | 94.2° | 89.7° |
| C38 | C37 | C42 | C41 | 0.5° | 0.5° |
| C38 | C37 | C36 | H362 | 145.4° | 150.3° |
| C38 | C37 | C36 | H361 | 26.2° | 30.3° |
| C37 | C38 | C39 | H391 | 179.8° | 179.9° |
| C38 | C37 | C42 | H421 | 179.5° | 179.7° |
| O34 | C33 | C32 | N31 | 45.8° | 0.0° |
| O34 | C33 | C32 | C36 | 72.2° | 120.0° |
| O34 | C33 | C32 | N35 | 177.8° | 180.0° |
| O34 | C33 | C32 | H321 | 169.3° | 120.0° |
| O34 | C33 | N35 | H352 | 0.0° | 179.9° |
| O34 | C33 | N35 | H351 | 180.0° | 0.1° |
| C29 | N31 | C32 | H311 | 180.0° | 179.9° |
| C29 | N31 | C32 | C36 | 105.4° | 155.0° |
| C29 | N31 | C32 | C33 | 135.6° | 85.0° |
| N31 | C29 | C15 | H151 | 93.2° | 60.1° |
| C29 | N31 | C32 | H321 | 12.7° | 35.0° |
| C32 | N31 | C29 | O30 | 2.9° | 0.0° |
| N31 | C32 | C36 | C37 | 47.5° | 65.0° |
| N31 | C32 | C36 | C33 | 122.5° | 120.0° |
| N31 | C32 | C36 | H321 | 118.8° | 120.0° |
| N31 | C32 | C33 | H321 | 123.4° | 120.0° |
| N31 | C32 | C33 | N35 | 136.4° | 180.0° |
| N31 | C32 | C36 | H362 | 167.8° | 55.0° |
| N31 | C32 | C36 | H361 | 72.9° | 175.0° |
| C40 | C41 | C42 | C37 | 0.2° | 0.4° |
| C40 | C41 | C42 | H411 | 180.0° | 179.8° |
| C41 | C40 | C39 | H391 | 180.0° | 180.0° |
| C40 | C41 | C42 | H421 | 179.8° | 179.7° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | H021 | 178.4° | 180.0° |
| C03 | C04 | C05 | H051 | 179.6° | 180.0° |
| O30 | C29 | C15 | H151 | 78.5° | 120.0° |
| O30 | C29 | N31 | H311 | 177.1° | 180.0° |
| C37 | C36 | C32 | H362 | 120.3° | 120.0° |
| C37 | C36 | C32 | H361 | 120.3° | 120.0° |
| C37 | C36 | C32 | C33 | 170.0° | 175.0° |
| C36 | C37 | C42 | C41 | 176.9° | 179.8° |
| C37 | C36 | C32 | H321 | 71.4° | 55.0° |
| C37 | C36 | H362 | H361 | 118.9° | 120.0° |
| C36 | C37 | C38 | H381 | 3.0° | 0.0° |
| C36 | C37 | C42 | H421 | 3.1° | 0.1° |
| C42 | C37 | C36 | C32 | 82.2° | 90.0° |
| C37 | C42 | C41 | H421 | 180.0° | 179.8° |
| C42 | C37 | C36 | H362 | 38.1° | 30.0° |
| C42 | C37 | C36 | H361 | 157.4° | 149.9° |
| C42 | C37 | C38 | H381 | 179.6° | 179.7° |
| C37 | C42 | C41 | H411 | 179.8° | 179.7° |
| C02 | C03 | C04 | H041 | 179.8° | 179.9° |
| C36 | C32 | C33 | H321 | 118.6° | 120.0° |
| C36 | C32 | C33 | N35 | 105.6° | 60.0° |
| C32 | C36 | H362 | H361 | 119.0° | 120.0° |
| C36 | C32 | N31 | H311 | 74.6° | 25.0° |
| C33 | C32 | C36 | H362 | 69.7° | 65.0° |
| C33 | C32 | C36 | H361 | 49.6° | 55.0° |
| C33 | C32 | N31 | H311 | 44.4° | 95.1° |
| C32 | C33 | N35 | H352 | 177.6° | 0.1° |
| C32 | C33 | N35 | H351 | 2.4° | 179.9° |
| N35 | C33 | C32 | H321 | 13.0° | 60.0° |
| C33 | N35 | H352 | H351 | 180.0° | 179.9° |
| C42 | C41 | C40 | H401 | 180.0° | 179.9° |
| H151 | C15 | C14 | H142 | 167.3° | 165.0° |
| H151 | C15 | C14 | H141 | 74.0° | 75.0° |
| H151 | C15 | C16 | H161 | 72.8° | 65.0° |
| H151 | C15 | C16 | H162 | 48.5° | 175.0° |
| H241 | C24 | C25 | H251 | 0.5° | 0.0° |
| H261 | C26 | C25 | H251 | 1.1° | 0.1° |
| H261 | C26 | C27 | H271 | 2.0° | 0.0° |
| H021 | C02 | C03 | H031 | 1.6° | 0.1° |
| H031 | C03 | C04 | H041 | 0.2° | 0.0° |
| H041 | C04 | C05 | H051 | 0.5° | 0.0° |
| H051 | C05 | C06 | H061 | 1.0° | 0.0° |
| H072 | C07 | C08 | H081 | 175.2° | NaN° |
| H072 | C07 | C08 | H082 | 65.5° | 60.0° |
| H071 | C07 | C08 | H081 | 59.5° | 60.0° |
| H071 | C07 | C08 | H082 | 178.8° | 180.0° |
| H081 | C08 | C09 | H091 | 159.7° | 180.0° |
| H082 | C08 | C09 | H091 | 40.4° | 60.0° |
| H091 | C09 | N10 | H101 | 63.7° | 179.9° |
| H091 | C09 | N10 | H1 | 56.3° | 56.1° |
| H321 | C32 | C36 | H362 | 49.0° | 175.0° |
| H321 | C32 | C36 | H361 | 168.3° | 65.0° |
| H321 | C32 | N31 | H311 | 167.3° | 144.9° |
| H381 | C38 | C39 | H391 | 0.2° | 0.1° |
| H391 | C39 | C40 | H401 | 0.0° | 0.1° |
| H401 | C40 | C41 | H411 | 0.0° | 0.0° |
| H411 | C41 | C42 | H421 | 0.2° | 0.1° |
