A1AB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C04 | N03 | sing | 1.46Å | 1.45Å | |
| N05 | N03 | sing | 1.29Å | 1.38Å | Aromatic |
| C06 | N05 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.53Å | |
| C09 | N08 | sing | 1.47Å | 1.44Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| O11 | C10 | sing | 1.43Å | 1.40Å | |
| C12 | O11 | sing | 1.43Å | 1.41Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| N08 | C07 | sing | 1.35Å | 1.46Å | |
| O14 | C07 | doub | 1.22Å | 1.18Å | |
| N03 | C02 | sing | 1.35Å | 1.32Å | Aromatic |
| C15 | C02 | doub | 1.35Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| O18 | C17 | sing | 1.43Å | 1.40Å | |
| C19 | O18 | sing | 1.36Å | 1.41Å | |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.41Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C27 | C22 | sing | 1.42Å | 1.36Å | Aromatic |
| C28 | C27 | doub | 1.41Å | 1.43Å | Aromatic |
| C29 | C28 | sing | 1.48Å | 1.53Å | |
| C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | N32 | sing | 1.47Å | 1.49Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| N35 | C34 | sing | 1.47Å | 1.41Å | |
| C36 | N35 | sing | 1.47Å | 1.41Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| N32 | C31 | sing | 1.39Å | 1.46Å | |
| N38 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| C39 | N38 | sing | 1.32Å | 1.32Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C15 | sing | 1.42Å | 1.39Å | Aromatic |
| N08 | C13 | sing | 1.47Å | 1.44Å | |
| C19 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
| C29 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| N32 | C37 | sing | 1.47Å | 1.49Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| N35 | H351 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 125.6° | 126.4° |
| C01 | C02 | C15 | 126.8° | 126.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C04 | N03 | N05 | 124.9° | 124.9° |
| C04 | N03 | C02 | 125.5° | 124.9° |
| N03 | C04 | H042 | 109.5° | 109.5° |
| N03 | C04 | H043 | 109.4° | 109.5° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| N03 | N05 | C06 | 107.4° | 110.1° |
| N05 | N03 | C02 | 109.6° | 110.2° |
| N05 | C06 | C07 | 126.2° | 126.5° |
| N05 | C06 | C15 | 108.1° | 107.0° |
| C06 | C07 | N08 | 121.8° | 120.0° |
| C06 | C07 | O14 | 119.0° | 120.0° |
| C07 | C06 | C15 | 125.7° | 126.5° |
| N08 | C09 | C10 | 113.7° | 108.4° |
| C09 | N08 | C07 | 123.8° | 120.9° |
| C09 | N08 | C13 | 115.5° | 118.1° |
| N08 | C09 | H091 | 108.4° | 109.7° |
| N08 | C09 | H092 | 108.4° | 109.7° |
| C09 | C10 | O11 | 111.5° | 109.2° |
| C10 | C09 | H091 | 108.4° | 109.6° |
| C10 | C09 | H092 | 108.4° | 109.7° |
| C09 | C10 | H102 | 108.9° | 109.4° |
| C09 | C10 | H101 | 108.9° | 109.5° |
| C10 | O11 | C12 | 113.2° | 114.2° |
| O11 | C10 | H102 | 108.9° | 109.5° |
| O11 | C10 | H101 | 109.0° | 109.6° |
| O11 | C12 | C13 | 116.5° | 109.2° |
| O11 | C12 | H122 | 107.7° | 109.5° |
| O11 | C12 | H121 | 107.7° | 109.5° |
| C12 | C13 | N08 | 119.9° | 108.4° |
| C13 | C12 | H122 | 107.7° | 109.5° |
| C13 | C12 | H121 | 107.7° | 109.6° |
| C12 | C13 | H131 | 106.8° | 109.6° |
| C12 | C13 | H132 | 106.8° | 109.7° |
| N08 | C07 | O14 | 119.2° | 120.0° |
| C07 | N08 | C13 | 120.7° | 121.0° |
| N03 | C02 | C15 | 107.6° | 107.2° |
| C02 | C15 | C16 | 127.0° | 127.2° |
| C02 | C15 | C06 | 107.3° | 105.5° |
| C15 | C16 | C17 | 113.0° | 109.5° |
| C16 | C15 | C06 | 125.6° | 127.2° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C16 | C17 | O18 | 107.7° | 109.4° |
| C17 | C16 | H161 | 108.6° | 109.5° |
| C17 | C16 | H162 | 108.6° | 109.5° |
| C16 | C17 | H172 | 109.9° | 109.5° |
| C16 | C17 | H171 | 109.9° | 109.5° |
| C17 | O18 | C19 | 117.4° | 117.0° |
| O18 | C17 | H172 | 109.9° | 109.5° |
| O18 | C17 | H171 | 109.9° | 109.5° |
| O18 | C19 | C20 | 122.2° | 119.7° |
| O18 | C19 | C28 | 118.1° | 119.8° |
| C19 | C20 | C21 | 120.2° | 121.1° |
| C20 | C19 | C28 | 119.7° | 120.5° |
| C19 | C20 | H201 | 119.9° | 119.4° |
| C20 | C21 | C22 | 120.2° | 120.2° |
| C20 | C21 | H211 | 119.9° | 119.9° |
| C21 | C20 | H201 | 119.9° | 119.5° |
| C21 | C22 | C23 | 119.5° | 121.1° |
| C21 | C22 | C27 | 120.1° | 119.6° |
| C22 | C21 | H211 | 119.9° | 119.9° |
| C23 | C24 | C25 | 119.9° | 121.0° |
| C24 | C23 | C22 | 120.1° | 119.7° |
| C24 | C23 | H231 | 119.9° | 120.2° |
| C23 | C24 | H241 | 120.0° | 119.5° |
| C24 | C25 | C26 | 120.0° | 120.9° |
| C25 | C24 | H241 | 120.1° | 119.5° |
| C24 | C25 | H251 | 120.0° | 119.5° |
| C25 | C26 | C27 | 120.4° | 119.7° |
| C26 | C25 | H251 | 120.0° | 119.5° |
| C25 | C26 | H261 | 119.8° | 120.2° |
| C23 | C22 | C27 | 120.4° | 119.3° |
| C22 | C23 | H231 | 119.9° | 120.1° |
| C22 | C27 | C28 | 119.5° | 119.4° |
| C22 | C27 | C26 | 119.2° | 119.4° |
| C27 | C28 | C29 | 121.3° | 120.4° |
| C27 | C28 | C19 | 120.3° | 119.3° |
| C28 | C27 | C26 | 121.3° | 121.2° |
| C28 | C29 | C30 | 121.1° | 120.9° |
| C29 | C28 | C19 | 118.4° | 120.3° |
| C28 | C29 | C40 | 120.4° | 120.9° |
| C29 | C30 | C31 | 119.4° | 118.9° |
| C30 | C29 | C40 | 118.5° | 118.2° |
| C29 | C30 | H301 | 120.3° | 120.5° |
| C30 | C31 | N32 | 119.9° | 119.7° |
| C30 | C31 | N38 | 121.1° | 120.7° |
| C31 | C30 | H301 | 120.3° | 120.5° |
| N32 | C33 | C34 | 113.2° | 109.3° |
| C33 | N32 | C31 | 121.4° | 111.0° |
| C33 | N32 | C37 | 108.6° | 110.9° |
| N32 | C33 | H332 | 108.5° | 109.5° |
| N32 | C33 | H331 | 108.5° | 109.5° |
| C33 | C34 | N35 | 114.5° | 109.4° |
| C34 | C33 | H332 | 108.5° | 109.5° |
| C34 | C33 | H331 | 108.5° | 109.5° |
| C33 | C34 | H342 | 108.2° | 109.5° |
| C33 | C34 | H341 | 108.2° | 109.5° |
| C34 | N35 | C36 | 115.0° | 110.8° |
| N35 | C34 | H342 | 108.2° | 109.5° |
| N35 | C34 | H341 | 108.2° | 109.5° |
| C34 | N35 | H351 | 108.1° | 111.0° |
| N35 | C36 | C37 | 114.0° | 109.4° |
| N35 | C36 | H362 | 108.3° | 109.4° |
| N35 | C36 | H361 | 108.3° | 109.5° |
| C36 | N35 | H351 | 108.1° | 111.0° |
| C36 | C37 | N32 | 113.7° | 109.4° |
| C37 | C36 | H362 | 108.3° | 109.5° |
| C37 | C36 | H361 | 108.3° | 109.5° |
| C36 | C37 | H372 | 108.4° | 109.5° |
| C36 | C37 | H371 | 108.4° | 109.5° |
| N32 | C31 | N38 | 119.0° | 119.6° |
| C31 | N32 | C37 | 122.1° | 111.0° |
| C31 | N38 | C39 | 120.4° | 122.0° |
| N38 | C39 | C40 | 122.4° | 121.0° |
| N38 | C39 | H391 | 118.8° | 119.5° |
| C39 | C40 | C29 | 118.3° | 119.2° |
| C40 | C39 | H391 | 118.8° | 119.5° |
| C39 | C40 | H401 | 120.9° | 120.4° |
| N08 | C13 | H131 | 106.8° | 109.7° |
| N08 | C13 | H132 | 106.8° | 109.7° |
| C27 | C26 | H261 | 119.8° | 120.1° |
| C29 | C40 | H401 | 120.9° | 120.4° |
| N32 | C37 | H372 | 108.4° | 109.5° |
| N32 | C37 | H371 | 108.4° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.7° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.6° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H042 | C04 | H043 | 109.4° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H043 | C04 | H041 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.7° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C04 | 1.0° | 0.0° |
| C01 | C02 | N03 | N05 | 179.8° | 179.5° |
| C01 | C02 | N03 | C15 | 179.2° | 179.9° |
| C01 | C02 | C15 | C16 | 0.9° | 0.1° |
| C01 | C02 | C15 | C06 | 179.8° | 179.7° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C04 | N03 | N05 | C02 | 179.2° | 179.5° |
| C04 | N03 | N05 | C06 | 179.6° | 180.0° |
| C04 | N03 | C02 | C15 | 179.8° | 180.0° |
| N03 | C04 | H042 | H043 | 120.0° | 120.0° |
| N03 | C04 | H042 | H041 | 120.0° | 120.0° |
| N03 | C04 | H043 | H041 | 120.0° | 120.0° |
| N03 | N05 | C06 | C07 | 179.9° | 180.0° |
| N05 | N03 | C02 | C15 | 0.6° | 0.5° |
| N03 | N05 | C06 | C15 | 0.1° | 0.3° |
| N05 | N03 | C04 | H042 | 0.0° | 89.4° |
| N05 | N03 | C04 | H043 | 120.0° | 30.6° |
| N05 | N03 | C04 | H041 | 120.0° | 150.5° |
| N05 | C06 | C07 | C15 | 180.0° | 179.6° |
| N05 | C06 | C07 | N08 | 60.1° | 6.0° |
| N05 | C06 | C07 | O14 | 120.2° | 174.1° |
| C06 | N05 | N03 | C02 | 0.3° | 0.5° |
| N05 | C06 | C15 | C02 | 0.4° | 0.0° |
| N05 | C06 | C15 | C16 | 179.7° | 179.7° |
| C06 | C07 | N08 | C09 | 0.2° | 173.4° |
| C06 | C07 | N08 | O14 | 179.7° | 180.0° |
| C07 | C06 | C15 | C02 | 179.6° | 179.7° |
| C07 | C06 | C15 | C16 | 0.3° | 0.0° |
| C06 | C07 | N08 | C13 | 180.0° | 6.5° |
| N08 | C09 | C10 | H091 | 120.7° | 119.7° |
| N08 | C09 | C10 | H092 | 120.6° | 119.8° |
| N08 | C09 | C10 | O11 | 57.2° | 52.2° |
| C09 | N08 | C13 | C12 | 14.6° | 50.6° |
| C09 | N08 | C07 | C13 | 179.8° | 179.9° |
| C09 | N08 | C07 | O14 | 179.9° | 6.7° |
| C09 | N08 | C13 | H131 | 106.8° | 170.2° |
| C09 | N08 | C13 | H132 | 136.1° | 69.2° |
| N08 | C09 | H091 | H092 | 118.1° | 120.6° |
| N08 | C09 | C10 | H102 | 177.5° | 67.6° |
| N08 | C09 | C10 | H101 | 63.1° | 172.3° |
| C09 | C10 | O11 | H102 | 120.3° | 119.8° |
| C09 | C10 | O11 | H101 | 120.3° | 120.0° |
| C09 | C10 | O11 | C12 | 58.6° | 62.5° |
| C10 | C09 | N08 | C07 | 145.9° | 129.6° |
| C10 | C09 | N08 | C13 | 33.9° | 50.5° |
| C10 | C09 | H091 | H092 | 118.1° | 120.5° |
| C09 | C10 | H102 | H101 | 119.0° | 120.1° |
| C10 | O11 | C12 | C13 | 38.4° | 62.6° |
| C10 | O11 | C12 | H122 | 159.4° | 177.5° |
| C10 | O11 | C12 | H121 | 82.7° | 57.4° |
| O11 | C10 | C09 | H091 | 63.4° | 67.5° |
| O11 | C10 | C09 | H092 | 177.8° | 172.1° |
| O11 | C10 | H102 | H101 | 119.1° | 120.2° |
| O11 | C12 | C13 | H122 | 121.1° | 119.9° |
| O11 | C12 | C13 | H121 | 121.0° | 120.0° |
| O11 | C12 | C13 | N08 | 16.1° | 52.3° |
| O11 | C12 | H122 | H121 | 116.8° | 120.1° |
| O11 | C12 | C13 | H131 | 105.4° | 172.0° |
| O11 | C12 | C13 | H132 | 137.6° | 67.5° |
| C12 | O11 | C10 | H102 | 178.9° | 57.3° |
| C12 | O11 | C10 | H101 | 61.7° | 177.4° |
| C12 | C13 | N08 | C07 | 165.2° | 129.5° |
| C12 | C13 | N08 | H131 | 121.5° | 119.7° |
| C12 | C13 | N08 | H132 | 121.5° | 119.8° |
| C13 | C12 | H122 | H121 | 116.8° | 120.2° |
| C12 | C13 | H131 | H132 | 115.3° | 120.5° |
| N08 | C07 | C06 | C15 | 119.9° | 173.7° |
| C07 | N08 | C13 | H131 | 73.3° | 9.9° |
| C07 | N08 | C13 | H132 | 43.8° | 110.7° |
| C07 | N08 | C09 | H091 | 93.4° | 110.8° |
| C07 | N08 | C09 | H092 | 25.3° | 9.7° |
| O14 | C07 | C06 | C15 | 59.8° | 6.3° |
| O14 | C07 | N08 | C13 | 0.3° | 173.4° |
| N03 | C02 | C15 | C16 | 179.9° | 180.0° |
| N03 | C02 | C15 | C06 | 0.6° | 0.3° |
| N03 | C02 | C01 | H011 | 89.6° | 89.9° |
| N03 | C02 | C01 | H013 | 150.5° | 30.0° |
| N03 | C02 | C01 | H012 | 30.5° | 150.0° |
| C02 | N03 | C04 | H042 | 179.1° | 90.0° |
| C02 | N03 | C04 | H043 | 60.9° | 150.0° |
| C02 | N03 | C04 | H041 | 59.1° | 30.1° |
| C02 | C15 | C16 | C06 | 179.2° | 179.7° |
| C02 | C15 | C16 | C17 | 121.8° | 90.0° |
| C02 | C15 | C16 | H161 | 117.6° | 150.0° |
| C02 | C15 | C16 | H162 | 1.3° | 30.0° |
| C15 | C02 | C01 | H011 | 89.5° | 90.0° |
| C15 | C02 | C01 | H013 | 30.5° | 150.0° |
| C15 | C02 | C01 | H012 | 150.5° | 30.1° |
| C15 | C16 | C17 | H161 | 120.5° | 120.0° |
| C15 | C16 | C17 | H162 | 120.5° | 120.0° |
| C15 | C16 | C17 | O18 | 77.1° | 180.0° |
| C15 | C16 | H161 | H162 | 118.4° | 120.0° |
| C15 | C16 | C17 | H172 | 42.6° | 60.0° |
| C15 | C16 | C17 | H171 | 163.2° | 60.0° |
| C16 | C17 | O18 | H172 | 119.7° | 120.0° |
| C16 | C17 | O18 | H171 | 119.7° | 120.0° |
| C16 | C17 | O18 | C19 | 172.7° | 180.0° |
| C17 | C16 | C15 | C06 | 59.0° | 90.3° |
| C17 | C16 | H161 | H162 | 118.4° | 120.1° |
| C16 | C17 | H172 | H171 | 120.8° | 120.0° |
| C17 | O18 | C19 | C20 | 11.9° | 0.5° |
| C17 | O18 | C19 | C28 | 168.5° | 180.0° |
| O18 | C17 | C16 | H161 | 162.4° | 60.0° |
| O18 | C17 | C16 | H162 | 43.4° | 60.0° |
| O18 | C17 | H172 | H171 | 120.8° | 120.0° |
| O18 | C19 | C20 | C28 | 179.7° | 179.5° |
| O18 | C19 | C20 | C21 | 179.7° | 180.0° |
| O18 | C19 | C28 | C27 | 180.0° | 180.0° |
| O18 | C19 | C28 | C29 | 0.7° | 0.5° |
| C19 | O18 | C17 | H172 | 53.0° | 60.0° |
| C19 | O18 | C17 | H171 | 67.5° | 60.0° |
| O18 | C19 | C20 | H201 | 0.3° | 0.0° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.2° |
| C20 | C19 | C28 | C27 | 0.3° | 0.5° |
| C20 | C19 | C28 | C29 | 179.7° | 180.0° |
| C19 | C20 | C21 | H211 | 179.8° | 179.9° |
| C20 | C21 | C22 | H211 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 179.9° | 179.9° |
| C20 | C21 | C22 | C27 | 0.1° | 0.0° |
| C21 | C20 | C19 | C28 | 0.1° | 0.5° |
| C21 | C22 | C23 | C24 | 180.0° | 179.9° |
| C21 | C22 | C23 | C27 | 180.0° | 179.9° |
| C21 | C22 | C27 | C28 | 0.1° | 0.0° |
| C21 | C22 | C27 | C26 | 180.0° | 180.0° |
| C21 | C22 | C23 | H231 | 0.0° | 0.1° |
| C22 | C21 | C20 | H201 | 179.9° | 179.8° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.0° | 0.1° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C24 | C23 | H231 | 180.0° | 179.9° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.0° | 0.0° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C26 | C25 | C24 | H241 | 180.0° | 180.0° |
| C23 | C22 | C27 | C28 | 179.9° | 179.9° |
| C23 | C22 | C27 | C26 | 0.0° | 0.1° |
| C23 | C22 | C21 | H211 | 0.1° | 0.2° |
| C22 | C23 | C24 | H241 | 179.9° | 179.9° |
| C22 | C27 | C28 | C26 | 179.9° | 180.0° |
| C22 | C27 | C28 | C29 | 179.7° | 179.7° |
| C22 | C27 | C28 | C19 | 0.3° | 0.2° |
| C27 | C22 | C21 | H211 | 179.9° | 179.7° |
| C27 | C22 | C23 | H231 | 180.0° | 180.0° |
| C22 | C27 | C26 | H261 | 180.0° | 179.9° |
| C27 | C28 | C29 | C19 | 179.4° | 179.5° |
| C27 | C28 | C29 | C30 | 58.6° | 115.8° |
| C27 | C28 | C29 | C40 | 121.5° | 64.4° |
| C28 | C27 | C26 | H261 | 0.2° | 0.0° |
| C28 | C29 | C30 | C40 | 179.9° | 179.8° |
| C28 | C29 | C30 | C31 | 179.8° | 180.0° |
| C28 | C29 | C40 | C39 | 179.8° | 180.0° |
| C29 | C28 | C27 | C26 | 0.5° | 0.3° |
| C28 | C29 | C30 | H301 | 0.2° | 0.0° |
| C28 | C29 | C40 | H401 | 0.2° | 0.1° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | N32 | 179.6° | 180.0° |
| C29 | C30 | C31 | N38 | 0.2° | 0.0° |
| C30 | C29 | C40 | C39 | 0.3° | 0.2° |
| C30 | C29 | C28 | C19 | 122.0° | 64.7° |
| C30 | C29 | C40 | H401 | 179.7° | 179.7° |
| C30 | C31 | N32 | C33 | 177.7° | 180.0° |
| C30 | C31 | N32 | N38 | 179.8° | 180.0° |
| C30 | C31 | N38 | C39 | 0.1° | 0.3° |
| C31 | C30 | C29 | C40 | 0.4° | 0.3° |
| C30 | C31 | N32 | C37 | 32.1° | 56.1° |
| N32 | C33 | C34 | H332 | 120.5° | 120.0° |
| N32 | C33 | C34 | H331 | 120.5° | 120.0° |
| N32 | C33 | C34 | N35 | 50.2° | 58.4° |
| C33 | N32 | C37 | C36 | 51.4° | 59.3° |
| C33 | N32 | C31 | C37 | 145.6° | 123.9° |
| C33 | N32 | C31 | N38 | 2.1° | 0.0° |
| N32 | C33 | H332 | H331 | 118.3° | 120.1° |
| N32 | C33 | C34 | H342 | 70.6° | 178.4° |
| N32 | C33 | C34 | H341 | 170.9° | 61.6° |
| C33 | N32 | C37 | H372 | 172.1° | 60.7° |
| C33 | N32 | C37 | H371 | 69.2° | 179.3° |
| C33 | C34 | N35 | H342 | 120.8° | 120.0° |
| C33 | C34 | N35 | H341 | 120.7° | 120.0° |
| C33 | C34 | N35 | C36 | 47.0° | 59.3° |
| C34 | C33 | N32 | C31 | 98.5° | 176.8° |
| C34 | C33 | N32 | C37 | 51.1° | 59.3° |
| C34 | C33 | H332 | H331 | 118.3° | 120.1° |
| C33 | C34 | H342 | H341 | 117.7° | 120.0° |
| C33 | C34 | N35 | H351 | 167.8° | 64.5° |
| C34 | N35 | C36 | H351 | 120.8° | 123.8° |
| C34 | N35 | C36 | C37 | 46.8° | 59.3° |
| N35 | C34 | C33 | H332 | 170.7° | 178.4° |
| N35 | C34 | C33 | H331 | 70.4° | 61.5° |
| N35 | C34 | H342 | H341 | 117.7° | 120.1° |
| C34 | N35 | C36 | H362 | 73.9° | 60.7° |
| C34 | N35 | C36 | H361 | 167.5° | 179.3° |
| N35 | C36 | C37 | H362 | 120.7° | 120.0° |
| N35 | C36 | C37 | H361 | 120.7° | 120.0° |
| N35 | C36 | C37 | N32 | 50.2° | 58.4° |
| C36 | N35 | C34 | H342 | 73.8° | 179.3° |
| C36 | N35 | C34 | H341 | 167.7° | 60.7° |
| N35 | C36 | H362 | H361 | 117.9° | 120.0° |
| N35 | C36 | C37 | H372 | 170.9° | 61.6° |
| N35 | C36 | C37 | H371 | 70.4° | 178.4° |
| C36 | C37 | N32 | C31 | 98.0° | 176.8° |
| C36 | C37 | N32 | H372 | 120.6° | 119.9° |
| C36 | C37 | N32 | H371 | 120.6° | 120.0° |
| C37 | C36 | H362 | H361 | 117.9° | 120.1° |
| C36 | C37 | H372 | H371 | 118.1° | 120.1° |
| C37 | C36 | N35 | H351 | 167.7° | 64.5° |
| N32 | C31 | N38 | C39 | 179.9° | 179.7° |
| N32 | C31 | C30 | H301 | 0.4° | 0.1° |
| C31 | N32 | C33 | H332 | 22.0° | 56.9° |
| C31 | N32 | C33 | H331 | 140.9° | 63.2° |
| C31 | N32 | C37 | H372 | 22.6° | 63.3° |
| C31 | N32 | C37 | H371 | 141.4° | 56.8° |
| C31 | N38 | C39 | C40 | 0.1° | 0.3° |
| N38 | C31 | N32 | C37 | 147.6° | 123.8° |
| N38 | C31 | C30 | H301 | 179.9° | 179.9° |
| C31 | N38 | C39 | H391 | 179.8° | 180.0° |
| N38 | C39 | C40 | H391 | 180.0° | 179.7° |
| N38 | C39 | C40 | C29 | 0.1° | 0.1° |
| N38 | C39 | C40 | H401 | 179.9° | 180.0° |
| C39 | C40 | C29 | H401 | 180.0° | 179.9° |
| C06 | C15 | C16 | H161 | 61.5° | 29.7° |
| C06 | C15 | C16 | H162 | 179.5° | 149.7° |
| N08 | C13 | C12 | H122 | 137.1° | 172.2° |
| N08 | C13 | C12 | H121 | 104.9° | 67.6° |
| N08 | C13 | H131 | H132 | 115.3° | 120.6° |
| C13 | N08 | C09 | H091 | 86.7° | 69.1° |
| C13 | N08 | C09 | H092 | 154.5° | 170.4° |
| C19 | C28 | C27 | C26 | 179.8° | 179.8° |
| C19 | C28 | C29 | C40 | 57.9° | 115.1° |
| C28 | C19 | C20 | H201 | 179.9° | 179.5° |
| C27 | C26 | C25 | H251 | 180.0° | 179.9° |
| C40 | C29 | C30 | H301 | 179.7° | 179.8° |
| C29 | C40 | C39 | H391 | 180.0° | 179.7° |
| C37 | N32 | C33 | H332 | 171.7° | 179.2° |
| C37 | N32 | C33 | H331 | 69.4° | 60.7° |
| N32 | C37 | C36 | H362 | 70.4° | 61.6° |
| N32 | C37 | C36 | H361 | 170.9° | 178.4° |
| N32 | C37 | H372 | H371 | 118.1° | 120.0° |
| H122 | C12 | C13 | H131 | 15.7° | 68.1° |
| H122 | C12 | C13 | H132 | 101.4° | 52.4° |
| H121 | C12 | C13 | H131 | 133.6° | 52.1° |
| H121 | C12 | C13 | H132 | 16.5° | 172.6° |
| H161 | C16 | C17 | H172 | 77.9° | 180.0° |
| H161 | C16 | C17 | H171 | 42.6° | 60.0° |
| H162 | C16 | C17 | H172 | 163.1° | 60.0° |
| H162 | C16 | C17 | H171 | 76.3° | 180.0° |
| H211 | C21 | C20 | H201 | 0.1° | 0.0° |
| H231 | C23 | C24 | H241 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.1° | 0.1° |
| H251 | C25 | C26 | H261 | 0.0° | 0.1° |
| H011 | C01 | H013 | H012 | 120.0° | 120.1° |
| H042 | C04 | H043 | H041 | 120.0° | 120.0° |
| H091 | C09 | C10 | H102 | 56.9° | 172.7° |
| H091 | C09 | C10 | H101 | 176.2° | 52.6° |
| H092 | C09 | C10 | H102 | 61.9° | 52.2° |
| H092 | C09 | C10 | H101 | 57.5° | 67.9° |
| H332 | C33 | C34 | H342 | 50.0° | 61.7° |
| H332 | C33 | C34 | H341 | 68.5° | 58.3° |
| H331 | C33 | C34 | H342 | 168.9° | 58.4° |
| H331 | C33 | C34 | H341 | 50.4° | 178.4° |
| H342 | C34 | N35 | H351 | 47.0° | 55.5° |
| H341 | C34 | N35 | H351 | 71.5° | 175.5° |
| H362 | C36 | C37 | H372 | 50.2° | 178.5° |
| H362 | C36 | C37 | H371 | 168.9° | 58.4° |
| H362 | C36 | N35 | H351 | 47.0° | 175.5° |
| H361 | C36 | C37 | H372 | 68.5° | 58.4° |
| H361 | C36 | C37 | H371 | 50.3° | 61.6° |
| H361 | C36 | N35 | H351 | 71.7° | 55.5° |
| H391 | C39 | C40 | H401 | 0.0° | 0.3° |
