A1CBF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C03 | C01 | doub | 1.35Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.46Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.47Å | 1.53Å | |
| O11 | C10 | doub | 1.22Å | 1.18Å | |
| N12 | C10 | sing | 1.35Å | 1.45Å | |
| C06 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| N13 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | N13 | sing | 1.40Å | 1.46Å | |
| N15 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | N15 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| N19 | C18 | sing | 1.39Å | 1.46Å | |
| C27 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C28 | C17 | sing | 1.46Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.34Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| N31 | C29 | sing | 1.37Å | 1.33Å | Aromatic |
| C32 | N31 | sing | 1.46Å | 1.46Å | |
| C33 | C32 | sing | 1.51Å | 1.53Å | |
| O34 | C33 | doub | 1.21Å | 1.18Å | |
| N35 | C33 | sing | 1.35Å | 1.46Å | |
| C36 | N35 | sing | 1.47Å | 1.44Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| O38 | C37 | sing | 1.43Å | 1.41Å | |
| C39 | O38 | sing | 1.43Å | 1.41Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C01 | N13 | sing | 1.37Å | 1.34Å | Aromatic |
| C04 | C09 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N31 | sing | 1.37Å | 1.37Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N35 | C40 | sing | 1.47Å | 1.44Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H023 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | 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 | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | 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 | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N12 | H122 | sing | 0.97Å | 1.00Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 125.0° | 125.1° |
| C02 | C01 | N13 | 127.2° | 125.1° |
| C01 | C02 | H022 | 109.5° | 109.5° |
| C01 | C02 | H023 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.5° | 109.5° |
| C01 | C03 | C04 | 108.1° | 107.1° |
| C03 | C01 | N13 | 107.8° | 109.9° |
| C01 | C03 | H031 | 125.9° | 126.4° |
| C03 | C04 | C05 | 105.5° | 106.2° |
| C03 | C04 | C09 | 134.6° | 134.0° |
| C04 | C03 | H031 | 125.9° | 126.5° |
| C04 | C05 | C06 | 119.5° | 119.5° |
| C04 | C05 | N13 | 109.6° | 107.1° |
| C05 | C04 | C09 | 119.9° | 119.8° |
| C06 | C07 | C08 | 119.8° | 120.9° |
| C07 | C06 | C05 | 120.6° | 120.3° |
| C07 | C06 | H061 | 119.7° | 119.9° |
| C06 | C07 | H071 | 120.1° | 119.6° |
| C07 | C08 | C09 | 120.0° | 120.2° |
| C08 | C07 | H071 | 120.1° | 119.6° |
| C07 | C08 | H081 | 120.0° | 119.9° |
| C08 | C09 | C10 | 118.7° | 120.4° |
| C08 | C09 | C04 | 120.2° | 119.3° |
| C09 | C08 | H081 | 120.0° | 119.9° |
| C09 | C10 | O11 | 121.0° | 120.0° |
| C09 | C10 | N12 | 119.1° | 119.9° |
| C10 | C09 | C04 | 121.1° | 120.3° |
| O11 | C10 | N12 | 119.9° | 120.1° |
| C10 | N12 | H122 | 120.0° | 120.1° |
| C10 | N12 | H121 | 120.0° | 120.0° |
| C06 | C05 | N13 | 130.9° | 133.3° |
| C05 | C06 | H061 | 119.7° | 119.9° |
| C05 | N13 | C14 | 124.4° | 125.1° |
| C05 | N13 | C01 | 109.1° | 109.8° |
| N13 | C14 | N15 | 117.1° | 119.2° |
| C14 | N13 | C01 | 126.5° | 125.1° |
| N13 | C14 | C27 | 121.7° | 119.3° |
| C14 | N15 | C16 | 122.2° | 121.8° |
| N15 | C14 | C27 | 121.1° | 121.5° |
| N15 | C16 | C17 | 120.1° | 119.9° |
| N15 | C16 | N31 | 130.9° | 133.0° |
| C16 | C17 | C18 | 119.8° | 119.6° |
| C16 | C17 | C28 | 105.5° | 106.3° |
| C17 | C16 | N31 | 109.0° | 107.1° |
| N19 | C20 | C21 | 112.9° | 109.5° |
| C20 | N19 | C18 | 119.9° | 120.0° |
| N19 | C20 | H201 | 108.6° | 109.5° |
| N19 | C20 | H202 | 108.6° | 109.4° |
| C20 | N19 | H191 | 106.8° | 120.0° |
| C20 | C21 | C22 | 121.1° | 120.0° |
| C20 | C21 | C26 | 119.4° | 120.0° |
| C21 | C20 | H201 | 108.6° | 109.5° |
| C21 | C20 | H202 | 108.6° | 109.5° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C22 | C21 | C26 | 119.5° | 120.0° |
| C21 | C22 | H221 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.9° | 120.1° |
| C23 | C22 | H221 | 119.8° | 120.0° |
| C22 | C23 | H231 | 120.1° | 120.0° |
| C23 | C24 | C25 | 119.9° | 120.0° |
| C24 | C23 | H231 | 120.1° | 120.0° |
| C23 | C24 | H241 | 120.1° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C25 | C24 | H241 | 120.0° | 120.0° |
| C24 | C25 | H251 | 120.0° | 120.0° |
| C25 | C26 | C21 | 120.3° | 120.0° |
| C26 | C25 | H251 | 120.0° | 120.0° |
| C25 | C26 | H261 | 119.9° | 120.0° |
| N19 | C18 | C27 | 120.8° | 121.0° |
| N19 | C18 | C17 | 121.0° | 121.0° |
| C18 | N19 | H191 | 106.8° | 120.1° |
| C27 | C18 | C17 | 118.2° | 117.9° |
| C18 | C27 | C14 | 118.5° | 119.3° |
| C18 | C27 | H271 | 120.7° | 120.4° |
| C18 | C17 | C28 | 134.7° | 134.1° |
| C17 | C28 | C29 | 107.7° | 106.9° |
| C17 | C28 | H281 | 126.2° | 126.6° |
| C28 | C29 | C30 | 126.4° | 125.1° |
| C28 | C29 | N31 | 107.8° | 109.8° |
| C29 | C28 | H281 | 126.2° | 126.5° |
| C30 | C29 | N31 | 125.7° | 125.1° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.4° | 109.5° |
| C29 | N31 | C32 | 125.5° | 125.0° |
| C29 | N31 | C16 | 110.0° | 110.0° |
| N31 | C32 | C33 | 109.6° | 109.5° |
| C32 | N31 | C16 | 124.5° | 125.0° |
| N31 | C32 | H321 | 109.4° | 109.5° |
| N31 | C32 | H322 | 109.4° | 109.4° |
| C32 | C33 | O34 | 119.7° | 120.0° |
| C32 | C33 | N35 | 120.6° | 120.0° |
| C33 | C32 | H321 | 109.5° | 109.5° |
| C33 | C32 | H322 | 109.4° | 109.5° |
| O34 | C33 | N35 | 119.7° | 120.0° |
| C33 | N35 | C36 | 122.2° | 121.0° |
| C33 | N35 | C40 | 123.0° | 121.0° |
| N35 | C36 | C37 | 115.8° | 108.4° |
| C36 | N35 | C40 | 114.8° | 118.0° |
| N35 | C36 | H362 | 107.9° | 109.7° |
| N35 | C36 | H361 | 107.9° | 109.7° |
| C36 | C37 | O38 | 111.9° | 109.2° |
| C37 | C36 | H362 | 107.9° | 109.7° |
| C37 | C36 | H361 | 107.9° | 109.7° |
| C36 | C37 | H372 | 108.9° | 109.5° |
| C36 | C37 | H371 | 108.9° | 109.6° |
| C37 | O38 | C39 | 109.7° | 114.2° |
| O38 | C37 | H372 | 108.9° | 109.5° |
| O38 | C37 | H371 | 108.8° | 109.6° |
| O38 | C39 | C40 | 111.9° | 109.2° |
| O38 | C39 | H391 | 108.8° | 109.5° |
| O38 | C39 | H392 | 108.9° | 109.5° |
| C39 | C40 | N35 | 115.7° | 108.4° |
| C40 | C39 | H391 | 108.9° | 109.5° |
| C40 | C39 | H392 | 108.9° | 109.6° |
| C39 | C40 | H402 | 107.9° | 109.7° |
| C39 | C40 | H401 | 107.9° | 109.7° |
| C14 | C27 | H271 | 120.7° | 120.3° |
| C21 | C26 | H261 | 119.9° | 120.0° |
| N35 | C40 | H402 | 107.9° | 109.7° |
| N35 | C40 | H401 | 107.9° | 109.7° |
| H022 | C02 | H023 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H023 | C02 | H021 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.4° | 109.7° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.6° |
| H122 | N12 | H121 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | N13 | 179.5° | 179.7° |
| C02 | C01 | C03 | C04 | 180.0° | 179.7° |
| C02 | C01 | N13 | C05 | 179.7° | 179.7° |
| C02 | C01 | N13 | C14 | 2.1° | 0.1° |
| C01 | C02 | H022 | H023 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 120.0° | 120.0° |
| C01 | C02 | H023 | H021 | 120.0° | 120.0° |
| C02 | C01 | C03 | H031 | 0.0° | 0.2° |
| C01 | C03 | C04 | H031 | 180.0° | 179.9° |
| C01 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C01 | N13 | C05 | 0.8° | 0.0° |
| C03 | C01 | N13 | C14 | 178.4° | 179.8° |
| C01 | C03 | C04 | C09 | 179.9° | 180.0° |
| C03 | C01 | C02 | H022 | 89.7° | 94.9° |
| C03 | C01 | C02 | H023 | 150.3° | 25.1° |
| C03 | C01 | C02 | H021 | 30.3° | 145.1° |
| C03 | C04 | C05 | C09 | 179.9° | 180.0° |
| C03 | C04 | C09 | C08 | 180.0° | 179.9° |
| C03 | C04 | C09 | C10 | 0.5° | 0.0° |
| C03 | C04 | C05 | C06 | 179.9° | 179.9° |
| C03 | C04 | C05 | N13 | 0.4° | 0.0° |
| C04 | C03 | C01 | N13 | 0.5° | 0.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.1° |
| C05 | C04 | C09 | C08 | 0.2° | 0.1° |
| C05 | C04 | C09 | C10 | 179.6° | 180.0° |
| C04 | C05 | C06 | N13 | 179.6° | 180.0° |
| C04 | C05 | N13 | C14 | 178.5° | 179.8° |
| C04 | C05 | N13 | C01 | 0.8° | 0.0° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.1° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | N13 | 179.3° | 180.0° |
| C06 | C07 | C08 | H081 | 179.7° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.1° |
| C07 | C08 | C09 | C04 | 0.2° | 0.1° |
| C08 | C07 | C06 | H061 | 179.7° | 180.0° |
| C08 | C09 | C10 | C04 | 179.5° | 179.9° |
| C08 | C09 | C10 | O11 | 166.1° | 179.7° |
| C08 | C09 | C10 | N12 | 14.9° | 0.1° |
| C09 | C08 | C07 | H071 | 179.8° | 179.9° |
| C09 | C10 | O11 | N12 | 178.9° | 179.8° |
| C10 | C09 | C08 | H081 | 0.3° | 0.1° |
| C09 | C10 | N12 | H122 | 179.0° | 0.1° |
| C09 | C10 | N12 | H121 | 1.0° | 180.0° |
| O11 | C10 | C09 | C04 | 14.4° | 0.2° |
| O11 | C10 | N12 | H122 | 0.0° | 179.7° |
| O11 | C10 | N12 | H121 | 180.0° | 0.2° |
| N12 | C10 | C09 | C04 | 164.5° | 180.0° |
| C10 | N12 | H122 | H121 | 180.0° | 179.9° |
| C06 | C05 | N13 | C14 | 1.9° | 0.3° |
| C06 | C05 | N13 | C01 | 179.6° | 179.9° |
| C06 | C05 | C04 | C09 | 0.2° | 0.0° |
| C05 | C06 | C07 | H071 | 179.7° | 179.9° |
| C05 | N13 | C14 | C01 | 177.3° | 179.8° |
| C05 | N13 | C14 | N15 | 128.9° | 132.2° |
| N13 | C05 | C04 | C09 | 179.4° | 180.0° |
| C05 | N13 | C14 | C27 | 48.2° | 47.9° |
| N13 | C05 | C06 | H061 | 0.7° | 0.1° |
| N13 | C14 | N15 | C27 | 177.1° | 179.9° |
| N13 | C14 | N15 | C16 | 178.9° | 180.0° |
| N13 | C14 | C27 | C18 | 178.6° | 180.0° |
| N13 | C14 | C27 | H271 | 1.4° | 0.1° |
| C14 | N15 | C16 | C17 | 1.0° | 0.1° |
| N15 | C14 | C27 | C18 | 1.6° | 0.1° |
| N15 | C14 | N13 | C01 | 48.4° | 47.6° |
| C14 | N15 | C16 | N31 | 178.9° | 180.0° |
| N15 | C14 | C27 | H271 | 178.4° | 179.7° |
| N15 | C16 | C17 | N31 | 180.0° | 179.9° |
| N15 | C16 | C17 | C18 | 0.2° | 0.4° |
| N15 | C16 | C17 | C28 | 179.9° | 179.9° |
| N15 | C16 | N31 | C29 | 179.9° | 179.9° |
| N15 | C16 | N31 | C32 | 0.0° | 0.1° |
| C16 | N15 | C14 | C27 | 1.8° | 0.1° |
| C16 | C17 | C18 | N19 | 179.4° | 180.0° |
| C16 | C17 | C18 | C27 | 0.1° | 0.3° |
| C16 | C17 | C18 | C28 | 179.9° | 179.6° |
| C16 | C17 | C28 | C29 | 0.0° | 0.0° |
| C17 | C16 | N31 | C29 | 0.1° | 0.1° |
| C17 | C16 | N31 | C32 | 180.0° | 180.0° |
| C16 | C17 | C28 | H281 | 179.9° | 179.9° |
| N19 | C20 | C21 | H201 | 120.5° | 120.0° |
| N19 | C20 | C21 | H202 | 120.5° | 120.0° |
| N19 | C20 | C21 | C22 | 7.9° | 89.8° |
| C20 | N19 | C18 | H191 | 121.5° | 180.0° |
| C20 | N19 | C18 | C27 | 3.0° | 0.3° |
| C20 | N19 | C18 | C17 | 176.3° | 180.0° |
| N19 | C20 | C21 | C26 | 172.6° | 90.0° |
| N19 | C20 | H201 | H202 | 118.4° | 120.0° |
| C20 | C21 | C22 | C26 | 179.5° | 179.8° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C20 | C21 | C26 | C25 | 179.7° | 179.6° |
| C21 | C20 | N19 | C18 | 79.0° | 180.0° |
| C21 | C20 | H201 | H202 | 118.4° | 120.0° |
| C20 | C21 | C22 | H221 | 0.3° | 0.0° |
| C20 | C21 | C26 | H261 | 0.2° | 0.0° |
| C21 | C20 | N19 | H191 | 159.5° | 0.0° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C26 | C25 | 0.2° | 0.6° |
| C22 | C21 | C20 | H201 | 128.4° | 30.2° |
| C22 | C21 | C20 | H202 | 112.6° | 150.2° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| C22 | C21 | C26 | H261 | 179.8° | 179.8° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C21 | C26 | 0.2° | 0.2° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C24 | C23 | C22 | H221 | 179.9° | 180.0° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.6° |
| C24 | C25 | C26 | C21 | 0.0° | 0.6° |
| C25 | C24 | C23 | H231 | 180.0° | 179.9° |
| C24 | C25 | C26 | H261 | 179.9° | 179.7° |
| C25 | C26 | C21 | H261 | 180.0° | 179.7° |
| C26 | C25 | C24 | H241 | 179.9° | 179.7° |
| N19 | C18 | C27 | C17 | 179.3° | 179.7° |
| N19 | C18 | C17 | C28 | 0.7° | 0.4° |
| N19 | C18 | C27 | C14 | 179.9° | 179.8° |
| C18 | N19 | C20 | H201 | 160.4° | 60.0° |
| C18 | N19 | C20 | H202 | 41.5° | 60.0° |
| N19 | C18 | C27 | H271 | 0.1° | 0.3° |
| C27 | C18 | C17 | C28 | 179.9° | 179.9° |
| C18 | C27 | C14 | H271 | 180.0° | 179.9° |
| C27 | C18 | N19 | H191 | 118.5° | 179.7° |
| C18 | C17 | C28 | C29 | 179.8° | 179.6° |
| C17 | C18 | C27 | C14 | 0.8° | 0.1° |
| C18 | C17 | C16 | N31 | 179.8° | 179.7° |
| C17 | C18 | C27 | H271 | 179.2° | 180.0° |
| C18 | C17 | C28 | H281 | 0.2° | 0.3° |
| C17 | C18 | N19 | H191 | 62.2° | 0.0° |
| C17 | C28 | C29 | H281 | 180.0° | 179.9° |
| C17 | C28 | C29 | C30 | 179.9° | 180.0° |
| C17 | C28 | C29 | N31 | 0.0° | 0.0° |
| C28 | C17 | C16 | N31 | 0.1° | 0.1° |
| C28 | C29 | C30 | N31 | 179.9° | 180.0° |
| C28 | C29 | N31 | C32 | 180.0° | 180.0° |
| C28 | C29 | N31 | C16 | 0.1° | 0.1° |
| C28 | C29 | C30 | H302 | 90.0° | 90.0° |
| C28 | C29 | C30 | H301 | 149.9° | 150.0° |
| C28 | C29 | C30 | H303 | 29.9° | 30.0° |
| C30 | C29 | N31 | C32 | 0.1° | 0.0° |
| C30 | C29 | N31 | C16 | 180.0° | 180.0° |
| C30 | C29 | C28 | H281 | 0.1° | 0.1° |
| C29 | C30 | H302 | H301 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | N31 | C32 | C16 | 179.9° | 179.9° |
| C29 | N31 | C32 | C33 | 100.1° | 90.0° |
| N31 | C29 | C28 | H281 | 180.0° | 180.0° |
| N31 | C29 | C30 | H302 | 90.1° | 90.0° |
| N31 | C29 | C30 | H301 | 29.9° | 30.0° |
| N31 | C29 | C30 | H303 | 149.9° | 150.0° |
| C29 | N31 | C32 | H321 | 19.9° | 150.0° |
| C29 | N31 | C32 | H322 | 139.9° | 30.0° |
| N31 | C32 | C33 | H321 | 120.0° | 120.0° |
| N31 | C32 | C33 | H322 | 120.0° | 119.9° |
| N31 | C32 | C33 | O34 | 19.9° | 0.1° |
| N31 | C32 | C33 | N35 | 159.9° | 180.0° |
| N31 | C32 | H321 | H322 | 119.9° | 119.9° |
| C32 | C33 | O34 | N35 | 179.8° | 180.0° |
| C32 | C33 | N35 | C36 | 179.9° | 180.0° |
| C33 | C32 | N31 | C16 | 80.0° | 90.0° |
| C32 | C33 | N35 | C40 | 0.1° | 0.1° |
| C33 | C32 | H321 | H322 | 120.0° | 120.0° |
| O34 | C33 | N35 | C36 | 0.1° | 0.0° |
| O34 | C33 | N35 | C40 | 179.9° | 180.0° |
| O34 | C33 | C32 | H321 | 100.1° | 120.0° |
| O34 | C33 | C32 | H322 | 139.9° | 120.0° |
| C33 | N35 | C36 | C40 | 180.0° | 180.0° |
| C33 | N35 | C36 | C37 | 147.3° | 129.4° |
| C33 | N35 | C40 | C39 | 147.3° | 129.4° |
| N35 | C33 | C32 | H321 | 80.1° | 60.0° |
| N35 | C33 | C32 | H322 | 39.9° | 60.0° |
| C33 | N35 | C36 | H362 | 26.4° | 9.7° |
| C33 | N35 | C36 | H361 | 91.7° | 110.8° |
| C33 | N35 | C40 | H402 | 26.4° | 110.8° |
| C33 | N35 | C40 | H401 | 91.7° | 9.7° |
| N35 | C36 | C37 | H362 | 120.9° | 119.7° |
| N35 | C36 | C37 | H361 | 121.0° | 119.7° |
| N35 | C36 | C37 | O38 | 13.2° | 52.3° |
| C36 | N35 | C40 | C39 | 32.6° | 50.5° |
| N35 | C36 | H362 | H361 | 117.1° | 120.5° |
| N35 | C36 | C37 | H372 | 133.6° | 172.2° |
| N35 | C36 | C37 | H371 | 107.1° | 67.7° |
| C36 | N35 | C40 | H402 | 153.5° | 69.2° |
| C36 | N35 | C40 | H401 | 88.3° | 170.3° |
| C36 | C37 | O38 | H372 | 120.4° | 119.9° |
| C36 | C37 | O38 | H371 | 120.3° | 120.0° |
| C36 | C37 | O38 | C39 | 60.6° | 62.6° |
| C37 | C36 | N35 | C40 | 32.6° | 50.5° |
| C37 | C36 | H362 | H361 | 117.1° | 120.6° |
| C36 | C37 | H372 | H371 | 118.9° | 120.1° |
| C37 | O38 | C39 | C40 | 60.6° | 62.5° |
| O38 | C37 | C36 | H362 | 107.7° | 172.0° |
| O38 | C37 | C36 | H361 | 134.2° | 67.4° |
| O38 | C37 | H372 | H371 | 118.9° | 120.1° |
| C37 | O38 | C39 | H391 | 179.1° | 57.4° |
| C37 | O38 | C39 | H392 | 59.8° | 177.4° |
| O38 | C39 | C40 | H391 | 120.3° | 119.9° |
| O38 | C39 | C40 | H392 | 120.4° | 120.0° |
| O38 | C39 | C40 | N35 | 13.2° | 52.3° |
| C39 | O38 | C37 | H372 | 179.1° | 177.5° |
| C39 | O38 | C37 | H371 | 59.8° | 57.5° |
| O38 | C39 | H391 | H392 | 118.9° | 120.0° |
| O38 | C39 | C40 | H402 | 107.7° | 67.5° |
| O38 | C39 | C40 | H401 | 134.1° | 172.1° |
| C39 | C40 | N35 | H402 | 120.9° | 119.8° |
| C39 | C40 | N35 | H401 | 120.9° | 119.8° |
| C40 | C39 | H391 | H392 | 118.9° | 120.2° |
| C39 | C40 | H402 | H401 | 117.2° | 120.5° |
| C01 | N13 | C14 | C27 | 134.5° | 132.3° |
| N13 | C01 | C02 | H022 | 89.7° | 84.8° |
| N13 | C01 | C02 | H023 | 30.3° | 155.2° |
| N13 | C01 | C02 | H021 | 150.3° | 35.2° |
| N13 | C01 | C03 | H031 | 179.5° | 179.9° |
| C09 | C04 | C03 | H031 | 0.1° | 0.0° |
| C04 | C09 | C08 | H081 | 179.8° | 180.0° |
| C16 | N31 | C32 | H321 | 160.0° | 30.1° |
| C16 | N31 | C32 | H322 | 40.0° | 150.1° |
| C26 | C21 | C20 | H201 | 52.1° | 150.0° |
| C26 | C21 | C20 | H202 | 66.9° | 30.0° |
| C26 | C21 | C22 | H221 | 179.8° | 179.7° |
| C21 | C26 | C25 | H251 | 179.9° | 179.7° |
| C40 | N35 | C36 | H362 | 153.6° | 170.2° |
| C40 | N35 | C36 | H361 | 88.3° | 69.2° |
| N35 | C40 | C39 | H391 | 133.5° | 67.6° |
| N35 | C40 | C39 | H392 | 107.2° | 172.3° |
| N35 | C40 | H402 | H401 | 117.1° | 120.6° |
| H022 | C02 | H023 | H021 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 0.3° | 0.0° |
| H071 | C07 | C08 | H081 | 0.2° | 0.0° |
| H201 | C20 | N19 | H191 | 39.0° | 120.0° |
| H202 | C20 | N19 | H191 | 80.0° | 120.0° |
| H221 | C22 | C23 | H231 | 0.1° | 0.0° |
| H231 | C23 | C24 | H241 | 0.0° | 0.0° |
| H241 | C24 | C25 | H251 | 0.1° | 0.1° |
| H251 | C25 | C26 | H261 | 0.1° | 0.1° |
| H302 | C30 | H301 | H303 | 120.0° | 120.0° |
| H362 | C36 | C37 | H372 | 12.7° | 68.1° |
| H362 | C36 | C37 | H371 | 132.0° | 52.0° |
| H361 | C36 | C37 | H372 | 105.4° | 52.5° |
| H361 | C36 | C37 | H371 | 13.9° | 172.6° |
| H391 | C39 | C40 | H402 | 12.6° | 172.7° |
| H391 | C39 | C40 | H401 | 105.6° | 52.2° |
| H392 | C39 | C40 | H402 | 131.9° | 52.5° |
| H392 | C39 | C40 | H401 | 13.7° | 67.9° |
