A1A9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C05 | C03 | sing | 1.51Å | 1.53Å | |
| O06 | C05 | doub | 1.21Å | 1.19Å | |
| C07 | C05 | sing | 1.49Å | 1.55Å | |
| O08 | C07 | doub | 1.21Å | 1.19Å | |
| N09 | C07 | sing | 1.35Å | 1.47Å | |
| C10 | N09 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| O18 | C15 | sing | 1.36Å | 1.41Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.48Å | 1.54Å | |
| C20 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.42Å | Aromatic |
| C25 | C21 | sing | 1.51Å | 1.66Å | |
| C29 | N28 | sing | 1.36Å | 1.49Å | |
| O30 | C29 | doub | 1.21Å | 1.19Å | |
| C31 | C29 | sing | 1.51Å | 1.54Å | |
| C33 | N32 | sing | 1.37Å | 1.49Å | |
| O34 | C33 | doub | 1.21Å | 1.19Å | |
| N32 | C31 | sing | 1.49Å | 1.46Å | |
| C35 | C31 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.51Å | 1.55Å | |
| O37 | C36 | doub | 1.21Å | 1.19Å | |
| N38 | C36 | sing | 1.35Å | 1.47Å | |
| N28 | C27 | sing | 1.48Å | 1.47Å | |
| C39 | C27 | sing | 1.51Å | 1.53Å | |
| O40 | C39 | doub | 1.21Å | 1.19Å | |
| N41 | C39 | sing | 1.35Å | 1.48Å | |
| C42 | N41 | sing | 1.39Å | 1.47Å | |
| C43 | C42 | doub | 1.32Å | 1.34Å | |
| C44 | C43 | sing | 1.51Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| O45 | C26 | sing | 1.43Å | 1.39Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| O47 | C46 | doub | 1.21Å | 1.19Å | |
| N48 | C46 | sing | 1.34Å | 1.30Å | |
| C46 | C25 | sing | 1.52Å | 1.58Å | |
| O49 | C25 | sing | 1.42Å | 1.27Å | |
| C10 | C33 | sing | 1.51Å | 1.55Å | |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N48 | sing | 1.39Å | 1.31Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | 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 | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N38 | H382 | sing | 0.97Å | 1.00Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N41 | H411 | sing | 0.97Å | 1.00Å | |
| N48 | H481 | sing | 0.97Å | 1.00Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å | |
| O45 | H451 | sing | 0.97Å | 0.95Å | |
| O49 | H491 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.2° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C01 | C02 | H022 | 108.8° | 109.5° |
| C02 | C03 | C04 | 109.4° | 109.5° |
| C02 | C03 | C05 | 109.4° | 109.5° |
| C03 | C02 | H021 | 108.8° | 109.5° |
| C03 | C02 | H022 | 108.8° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C04 | C03 | C05 | 109.5° | 109.5° |
| C04 | C03 | H031 | 109.6° | 109.5° |
| C03 | C04 | H042 | 109.5° | 109.5° |
| C03 | C04 | H043 | 109.5° | 109.5° |
| C03 | C04 | H041 | 109.4° | 109.5° |
| C03 | C05 | O06 | 120.0° | 120.0° |
| C03 | C05 | C07 | 120.2° | 120.0° |
| C05 | C03 | H031 | 109.5° | 109.5° |
| O06 | C05 | C07 | 119.8° | 120.0° |
| C05 | C07 | O08 | 120.2° | 120.0° |
| C05 | C07 | N09 | 119.6° | 120.0° |
| O08 | C07 | N09 | 120.2° | 120.0° |
| C07 | N09 | C10 | 120.4° | 120.0° |
| C07 | N09 | H091 | 119.8° | 120.0° |
| N09 | C10 | C11 | 107.9° | 109.2° |
| N09 | C10 | C33 | 110.3° | 109.3° |
| N09 | C10 | H101 | 108.7° | 109.3° |
| C10 | N09 | H091 | 119.8° | 120.0° |
| C10 | C11 | C12 | 113.6° | 110.0° |
| C11 | C10 | C33 | 114.4° | 110.6° |
| C11 | C10 | H101 | 107.8° | 109.2° |
| C10 | C11 | H111 | 108.4° | 109.4° |
| C10 | C11 | H112 | 108.4° | 109.4° |
| C11 | C12 | C13 | 119.5° | 119.2° |
| C11 | C12 | C17 | 120.3° | 120.5° |
| C12 | C11 | H111 | 108.4° | 109.4° |
| C12 | C11 | H112 | 108.4° | 109.3° |
| C12 | C13 | C14 | 120.0° | 119.7° |
| C13 | C12 | C17 | 120.2° | 120.3° |
| C12 | C13 | H131 | 120.0° | 120.2° |
| C13 | C14 | C15 | 120.2° | 119.8° |
| C13 | C14 | C19 | 118.5° | 118.6° |
| C14 | C13 | H131 | 120.0° | 120.2° |
| C17 | C16 | C15 | 120.0° | 119.9° |
| C16 | C17 | C12 | 119.8° | 120.4° |
| C16 | C17 | H171 | 120.1° | 119.8° |
| C17 | C16 | H161 | 120.0° | 120.1° |
| C16 | C15 | O18 | 119.8° | 120.1° |
| C16 | C15 | C14 | 119.8° | 119.9° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| O18 | C15 | C14 | 120.4° | 120.1° |
| C15 | O18 | H181 | 109.5° | 114.0° |
| C15 | C14 | C19 | 121.3° | 121.6° |
| C14 | C19 | C20 | 118.8° | 120.0° |
| C14 | C19 | C24 | 120.7° | 120.3° |
| C19 | C20 | C21 | 120.2° | 118.9° |
| C20 | C19 | C24 | 120.4° | 119.7° |
| C19 | C20 | N48 | 134.7° | 131.1° |
| C20 | C21 | C22 | 119.3° | 120.8° |
| C20 | C21 | C25 | 105.2° | 106.2° |
| C21 | C20 | N48 | 105.0° | 110.0° |
| C22 | C23 | C24 | 120.5° | 119.9° |
| C23 | C22 | C21 | 120.1° | 120.2° |
| C23 | C22 | H221 | 119.9° | 119.9° |
| C22 | C23 | H231 | 119.7° | 120.1° |
| C23 | C24 | C19 | 119.4° | 120.3° |
| C23 | C24 | H241 | 120.3° | 119.8° |
| C24 | C23 | H231 | 119.7° | 120.0° |
| C22 | C21 | C25 | 135.5° | 133.0° |
| C21 | C22 | H221 | 120.0° | 119.9° |
| C21 | C25 | C26 | 113.0° | 110.4° |
| C21 | C25 | C46 | 101.9° | 103.8° |
| C21 | C25 | O49 | 109.9° | 110.8° |
| N28 | C29 | O30 | 121.1° | 120.2° |
| N28 | C29 | C31 | 117.9° | 119.5° |
| C29 | N28 | C27 | 123.1° | 116.2° |
| C29 | N28 | H281 | 118.4° | 121.9° |
| O30 | C29 | C31 | 121.0° | 120.3° |
| C29 | C31 | N32 | 113.8° | 108.8° |
| C29 | C31 | C35 | 106.5° | 109.6° |
| C29 | C31 | H311 | 109.0° | 109.6° |
| N32 | C33 | O34 | 119.2° | 120.6° |
| C33 | N32 | C31 | 119.2° | 114.3° |
| N32 | C33 | C10 | 121.5° | 118.8° |
| C33 | N32 | H321 | 120.4° | 122.9° |
| O34 | C33 | C10 | 119.3° | 120.6° |
| N32 | C31 | C35 | 108.1° | 109.6° |
| N32 | C31 | H311 | 110.1° | 109.6° |
| C31 | N32 | H321 | 120.4° | 122.8° |
| C31 | C35 | C36 | 118.7° | 109.5° |
| C35 | C31 | H311 | 109.2° | 109.7° |
| C31 | C35 | H352 | 107.1° | 109.5° |
| C31 | C35 | H351 | 107.1° | 109.5° |
| C35 | C36 | O37 | 119.7° | 120.0° |
| C35 | C36 | N38 | 120.2° | 120.0° |
| C36 | C35 | H352 | 107.1° | 109.5° |
| C36 | C35 | H351 | 107.2° | 109.4° |
| O37 | C36 | N38 | 120.1° | 120.0° |
| C36 | N38 | H382 | 120.0° | 120.0° |
| C36 | N38 | H381 | 120.0° | 120.0° |
| N28 | C27 | C39 | 103.3° | 109.8° |
| N28 | C27 | C26 | 112.9° | 108.6° |
| N28 | C27 | H271 | 111.7° | 109.7° |
| C27 | N28 | H281 | 118.4° | 121.9° |
| C27 | C39 | O40 | 118.6° | 120.0° |
| C27 | C39 | N41 | 122.9° | 120.0° |
| C39 | C27 | C26 | 107.3° | 109.6° |
| C39 | C27 | H271 | 110.8° | 109.6° |
| O40 | C39 | N41 | 118.4° | 120.0° |
| C39 | N41 | C42 | 121.3° | 120.0° |
| C39 | N41 | H411 | 119.3° | 120.0° |
| N41 | C42 | C43 | 113.2° | 120.0° |
| N41 | C42 | H421 | 123.4° | 120.0° |
| C42 | N41 | H411 | 119.3° | 120.0° |
| C42 | C43 | C44 | 115.9° | 120.0° |
| C43 | C42 | H421 | 123.4° | 120.0° |
| C42 | C43 | H431 | 122.1° | 120.0° |
| C44 | C43 | H431 | 122.1° | 120.0° |
| C43 | C44 | H443 | 109.5° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C43 | C44 | H441 | 109.5° | 109.4° |
| C27 | C26 | O45 | 108.3° | 109.6° |
| C27 | C26 | C25 | 116.6° | 109.1° |
| C27 | C26 | H261 | 107.4° | 109.5° |
| C26 | C27 | H271 | 110.6° | 109.6° |
| O45 | C26 | C25 | 108.0° | 109.5° |
| O45 | C26 | H261 | 109.3° | 109.5° |
| C26 | O45 | H451 | 109.5° | 114.0° |
| C26 | C25 | C46 | 112.9° | 110.1° |
| C26 | C25 | O49 | 109.1° | 109.8° |
| C25 | C26 | H261 | 107.1° | 109.5° |
| O47 | C46 | N48 | 130.5° | 126.8° |
| O47 | C46 | C25 | 131.1° | 126.7° |
| N48 | C46 | C25 | 98.4° | 106.5° |
| C46 | N48 | C20 | 129.5° | 112.4° |
| C46 | N48 | H481 | 115.2° | 123.8° |
| C46 | C25 | O49 | 109.9° | 111.8° |
| C25 | O49 | H491 | 109.5° | 114.0° |
| C33 | C10 | H101 | 107.6° | 109.3° |
| C12 | C17 | H171 | 120.1° | 119.9° |
| C19 | C24 | H241 | 120.3° | 119.8° |
| C20 | N48 | H481 | 115.2° | 123.7° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.4° | 109.5° |
| H042 | C04 | H043 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H043 | C04 | H041 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.4° | 109.5° |
| H443 | C44 | H442 | 109.5° | 109.5° |
| H443 | C44 | H441 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.4° | 109.5° |
| H382 | N38 | H381 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 120.4° | 120.0° |
| C01 | C02 | C03 | H022 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 141.3° | 65.0° |
| C01 | C02 | C03 | C05 | 98.8° | 175.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 118.8° | 120.0° |
| C01 | C02 | C03 | H031 | 21.2° | 55.0° |
| C02 | C03 | C04 | C05 | 119.9° | 120.0° |
| C02 | C03 | C04 | H031 | 120.0° | 120.0° |
| C02 | C03 | C05 | H031 | 120.0° | 120.0° |
| C02 | C03 | C05 | O06 | 112.4° | 25.0° |
| C02 | C03 | C05 | C07 | 67.9° | 155.0° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | H021 | H022 | 118.8° | 120.0° |
| C02 | C03 | C04 | H042 | 180.0° | 60.0° |
| C02 | C03 | C04 | H043 | 60.0° | 180.0° |
| C02 | C03 | C04 | H041 | 60.0° | 60.0° |
| C04 | C03 | C05 | H031 | 120.1° | 120.0° |
| C04 | C03 | C05 | O06 | 7.5° | 95.0° |
| C04 | C03 | C05 | C07 | 172.2° | 85.0° |
| C04 | C03 | C02 | H021 | 20.9° | 55.0° |
| C04 | C03 | C02 | H022 | 98.3° | 175.0° |
| C03 | C04 | H042 | H043 | 120.0° | 120.0° |
| C03 | C04 | H042 | H041 | 120.0° | 120.0° |
| C03 | C04 | H043 | H041 | 120.0° | 120.0° |
| C03 | C05 | O06 | C07 | 179.7° | 180.0° |
| C03 | C05 | C07 | O08 | 51.5° | 0.0° |
| C03 | C05 | C07 | N09 | 128.1° | 180.0° |
| C05 | C03 | C02 | H021 | 140.8° | 65.0° |
| C05 | C03 | C02 | H022 | 21.6° | 55.0° |
| C05 | C03 | C04 | H042 | 60.1° | 60.0° |
| C05 | C03 | C04 | H043 | 179.9° | 60.0° |
| C05 | C03 | C04 | H041 | 59.9° | 180.0° |
| O06 | C05 | C07 | O08 | 128.1° | 180.0° |
| O06 | C05 | C07 | N09 | 52.3° | 0.0° |
| O06 | C05 | C03 | H031 | 127.7° | 145.0° |
| C05 | C07 | O08 | N09 | 179.6° | 180.0° |
| C05 | C07 | N09 | C10 | 179.7° | 180.0° |
| C07 | C05 | C03 | H031 | 52.0° | 35.0° |
| C05 | C07 | N09 | H091 | 0.3° | 0.0° |
| O08 | C07 | N09 | C10 | 0.7° | 0.0° |
| O08 | C07 | N09 | H091 | 179.3° | 180.0° |
| C07 | N09 | C10 | H091 | 180.0° | 180.0° |
| C07 | N09 | C10 | C11 | 144.3° | 150.0° |
| C07 | N09 | C10 | C33 | 90.1° | 88.9° |
| C07 | N09 | C10 | H101 | 27.6° | 30.6° |
| N09 | C10 | C11 | C33 | 123.2° | 120.3° |
| N09 | C10 | C11 | H101 | 117.2° | 119.4° |
| N09 | C10 | C11 | C12 | 58.9° | 34.9° |
| N09 | C10 | C33 | N32 | 171.8° | 91.5° |
| N09 | C10 | C33 | O34 | 9.3° | 88.5° |
| N09 | C10 | C33 | H101 | 118.4° | 119.5° |
| N09 | C10 | C11 | H111 | 179.5° | 155.0° |
| N09 | C10 | C11 | H112 | 61.8° | 85.2° |
| C10 | C11 | C12 | H111 | 120.6° | 120.1° |
| C10 | C11 | C12 | H112 | 120.6° | 120.2° |
| C10 | C11 | C12 | C13 | 83.9° | 31.5° |
| C11 | C10 | C33 | N32 | 49.8° | 148.3° |
| C11 | C10 | C33 | O34 | 131.2° | 31.8° |
| C11 | C10 | C33 | H101 | 119.7° | 120.2° |
| C10 | C11 | C12 | C17 | 95.2° | 148.8° |
| C10 | C11 | H111 | H112 | 118.1° | 119.8° |
| C11 | C10 | N09 | H091 | 35.7° | 30.0° |
| C11 | C12 | C13 | C17 | 179.1° | 179.7° |
| C11 | C12 | C13 | C14 | 177.9° | 176.3° |
| C11 | C12 | C17 | C16 | 179.4° | 177.4° |
| C12 | C11 | C10 | C33 | 64.3° | 85.4° |
| C12 | C11 | C10 | H101 | 176.1° | 154.3° |
| C11 | C12 | C13 | H131 | 2.1° | 3.7° |
| C11 | C12 | C17 | H171 | 0.6° | 2.4° |
| C12 | C11 | H111 | H112 | 118.1° | 119.7° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C13 | C12 | C17 | C16 | 0.3° | 2.3° |
| C12 | C13 | C14 | C15 | 2.5° | 2.0° |
| C12 | C13 | C14 | C19 | 179.0° | 175.3° |
| C13 | C12 | C17 | H171 | 179.7° | 177.9° |
| C13 | C12 | C11 | H111 | 36.7° | 88.6° |
| C13 | C12 | C11 | H112 | 155.5° | 151.7° |
| C13 | C14 | C15 | C16 | 2.4° | 0.5° |
| C13 | C14 | C15 | O18 | 178.6° | 179.5° |
| C13 | C14 | C15 | C19 | 176.4° | 177.2° |
| C13 | C14 | C19 | C20 | 73.4° | 29.6° |
| C14 | C13 | C12 | C17 | 1.2° | 3.3° |
| C13 | C14 | C19 | C24 | 110.1° | 149.3° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | O18 | 180.0° | 178.5° |
| C17 | C16 | C15 | C14 | 1.0° | 1.6° |
| C16 | C17 | C12 | H171 | 180.0° | 179.8° |
| C16 | C15 | O18 | C14 | 179.0° | 180.0° |
| C16 | C15 | C14 | C19 | 178.8° | 177.7° |
| C15 | C16 | C17 | C12 | 0.4° | 0.2° |
| C15 | C16 | C17 | H171 | 179.6° | 179.7° |
| C16 | C15 | O18 | H181 | 180.0° | 90.0° |
| O18 | C15 | C14 | C19 | 2.2° | 2.3° |
| O18 | C15 | C16 | H161 | 0.0° | 1.6° |
| C15 | C14 | C19 | C20 | 110.1° | 153.1° |
| C15 | C14 | C19 | C24 | 66.3° | 27.9° |
| C15 | C14 | C13 | H131 | 177.5° | 178.0° |
| C14 | C15 | C16 | H161 | 179.0° | 178.3° |
| C14 | C15 | O18 | H181 | 1.0° | 90.0° |
| C14 | C19 | C20 | C24 | 176.4° | 179.0° |
| C14 | C19 | C20 | C21 | 180.0° | 175.8° |
| C14 | C19 | C24 | C23 | 178.6° | 176.9° |
| C14 | C19 | C20 | N48 | 4.1° | 4.7° |
| C19 | C14 | C13 | H131 | 1.0° | 4.7° |
| C14 | C19 | C24 | H241 | 1.4° | 3.0° |
| C19 | C20 | C21 | N48 | 176.9° | 179.6° |
| C20 | C19 | C24 | C23 | 2.3° | 2.1° |
| C19 | C20 | C21 | C22 | 2.8° | 2.6° |
| C19 | C20 | C21 | C25 | 178.3° | 176.5° |
| C19 | C20 | N48 | C46 | 178.0° | 176.5° |
| C20 | C19 | C24 | H241 | 177.7° | 178.0° |
| C19 | C20 | N48 | H481 | 2.0° | 3.5° |
| C20 | C21 | C22 | C23 | 0.9° | 1.0° |
| C20 | C21 | C22 | C25 | 178.4° | 178.9° |
| C20 | C21 | C25 | C26 | 122.4° | 109.6° |
| C21 | C20 | N48 | C46 | 1.7° | 3.1° |
| C20 | C21 | C25 | C46 | 1.0° | 8.4° |
| C20 | C21 | C25 | O49 | 115.5° | 128.6° |
| C21 | C20 | C19 | C24 | 3.6° | 3.2° |
| C20 | C21 | C22 | H221 | 179.1° | 179.0° |
| C21 | C20 | N48 | H481 | 178.3° | 176.9° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C23 | C22 | C21 | C25 | 179.3° | 177.9° |
| C22 | C23 | C24 | C19 | 0.3° | 0.4° |
| C22 | C23 | C24 | H241 | 179.7° | 179.7° |
| C24 | C23 | C22 | C21 | 0.4° | 0.2° |
| C23 | C24 | C19 | H241 | 180.0° | 179.9° |
| C24 | C23 | C22 | H221 | 179.6° | 179.9° |
| C22 | C21 | C25 | C26 | 59.0° | 69.5° |
| C22 | C21 | C25 | C46 | 179.5° | 172.6° |
| C22 | C21 | C25 | O49 | 63.1° | 52.4° |
| C22 | C21 | C20 | N48 | 179.8° | 177.0° |
| C21 | C22 | C23 | H231 | 179.6° | 179.8° |
| C21 | C25 | C26 | C27 | 54.1° | 131.8° |
| C21 | C25 | C26 | O45 | 68.1° | 11.8° |
| C21 | C25 | C26 | C46 | 115.0° | 114.0° |
| C21 | C25 | C26 | O49 | 122.5° | 122.4° |
| C21 | C25 | C46 | O47 | 179.9° | 169.8° |
| C21 | C25 | C46 | N48 | 0.1° | 10.2° |
| C21 | C25 | C46 | O49 | 116.5° | 119.5° |
| C25 | C21 | C20 | N48 | 1.4° | 3.8° |
| C25 | C21 | C22 | H221 | 0.7° | 2.1° |
| C21 | C25 | C26 | H261 | 174.3° | 108.3° |
| C21 | C25 | O49 | H491 | 180.0° | 57.8° |
| N28 | C29 | O30 | C31 | 178.8° | 180.0° |
| N28 | C29 | C31 | N32 | 154.4° | 91.5° |
| N28 | C29 | C31 | C35 | 86.6° | 28.3° |
| C29 | N28 | C27 | H281 | 180.0° | 180.0° |
| C29 | N28 | C27 | C39 | 114.0° | 58.1° |
| C29 | N28 | C27 | C26 | 130.5° | 177.9° |
| C29 | N28 | C27 | H271 | 5.1° | 62.3° |
| N28 | C29 | C31 | H311 | 31.1° | 148.7° |
| O30 | C29 | C31 | N32 | 26.8° | 88.5° |
| O30 | C29 | C31 | C35 | 92.3° | 151.7° |
| O30 | C29 | N28 | C27 | 0.3° | 2.7° |
| O30 | C29 | C31 | H311 | 150.0° | 31.3° |
| O30 | C29 | N28 | H281 | 179.7° | 177.3° |
| C29 | C31 | N32 | C33 | 118.9° | 95.0° |
| C29 | C31 | N32 | C35 | 118.1° | 119.8° |
| C29 | C31 | N32 | H311 | 122.7° | 119.8° |
| C29 | C31 | C35 | H311 | 117.6° | 120.3° |
| C29 | C31 | C35 | C36 | 176.6° | 75.0° |
| C31 | C29 | N28 | C27 | 178.5° | 177.3° |
| C29 | C31 | C35 | H352 | 55.3° | 165.0° |
| C29 | C31 | C35 | H351 | 62.0° | 45.0° |
| C31 | C29 | N28 | H281 | 1.5° | 2.7° |
| C29 | C31 | N32 | H321 | 61.1° | 85.2° |
| N32 | C33 | O34 | C10 | 179.0° | 180.0° |
| C33 | N32 | C31 | H321 | 180.0° | 179.9° |
| C33 | N32 | C31 | C35 | 122.9° | 24.9° |
| N32 | C33 | C10 | H101 | 69.8° | 28.0° |
| C33 | N32 | C31 | H311 | 3.8° | 145.2° |
| O34 | C33 | N32 | C31 | 0.4° | 1.2° |
| O34 | C33 | C10 | H101 | 109.1° | 152.0° |
| O34 | C33 | N32 | H321 | 179.6° | 178.6° |
| N32 | C31 | C35 | H311 | 119.7° | 120.3° |
| N32 | C31 | C35 | C36 | 53.9° | 165.6° |
| C31 | N32 | C33 | C10 | 178.5° | 178.7° |
| N32 | C31 | C35 | H352 | 67.4° | 45.6° |
| N32 | C31 | C35 | H351 | 175.3° | 74.4° |
| C31 | C35 | C36 | H352 | 121.3° | 120.0° |
| C31 | C35 | C36 | H351 | 121.3° | 120.0° |
| C31 | C35 | C36 | O37 | 24.1° | 0.0° |
| C31 | C35 | C36 | N38 | 156.5° | 180.0° |
| C31 | C35 | H352 | H351 | 115.8° | 120.0° |
| C35 | C31 | N32 | H321 | 57.1° | 155.0° |
| C35 | C36 | O37 | N38 | 179.4° | 180.0° |
| C36 | C35 | C31 | H311 | 65.8° | 45.3° |
| C36 | C35 | H352 | H351 | 115.9° | 120.0° |
| C35 | C36 | N38 | H382 | 179.4° | 0.0° |
| C35 | C36 | N38 | H381 | 0.6° | 179.9° |
| O37 | C36 | C35 | H352 | 97.2° | 120.0° |
| O37 | C36 | C35 | H351 | 145.4° | 120.1° |
| O37 | C36 | N38 | H382 | 0.0° | 179.9° |
| O37 | C36 | N38 | H381 | 180.0° | 0.0° |
| N38 | C36 | C35 | H352 | 82.2° | 60.0° |
| N38 | C36 | C35 | H351 | 35.2° | 60.0° |
| C36 | N38 | H382 | H381 | 180.0° | 179.9° |
| N28 | C27 | C39 | C26 | 119.4° | 119.2° |
| N28 | C27 | C39 | H271 | 119.7° | 120.5° |
| N28 | C27 | C39 | O40 | 56.3° | 30.2° |
| N28 | C27 | C39 | N41 | 122.6° | 149.8° |
| N28 | C27 | C26 | H271 | 126.0° | 119.8° |
| N28 | C27 | C26 | O45 | 177.6° | 34.4° |
| N28 | C27 | C26 | C25 | 60.4° | 85.5° |
| N28 | C27 | C26 | H261 | 59.7° | 154.6° |
| C27 | C39 | O40 | N41 | 178.9° | 180.0° |
| C27 | C39 | N41 | C42 | 1.1° | 176.2° |
| C39 | C27 | C26 | H271 | 120.9° | 120.3° |
| C39 | C27 | C26 | O45 | 64.5° | 154.3° |
| C39 | C27 | C26 | C25 | 173.5° | 34.4° |
| C39 | C27 | C26 | H261 | 53.4° | 85.5° |
| C39 | C27 | N28 | H281 | 66.0° | 121.9° |
| C27 | C39 | N41 | H411 | 178.9° | 3.8° |
| O40 | C39 | N41 | C42 | 180.0° | 3.8° |
| O40 | C39 | C27 | C26 | 63.2° | 149.4° |
| O40 | C39 | C27 | H271 | 176.0° | 90.3° |
| O40 | C39 | N41 | H411 | 0.0° | 176.2° |
| C39 | N41 | C42 | H411 | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 155.1° | 180.0° |
| N41 | C39 | C27 | C26 | 117.9° | 30.6° |
| N41 | C39 | C27 | H271 | 2.9° | 89.7° |
| C39 | N41 | C42 | H421 | 24.9° | 0.0° |
| N41 | C42 | C43 | H421 | 180.0° | 179.9° |
| N41 | C42 | C43 | C44 | 0.3° | 0.1° |
| N41 | C42 | C43 | H431 | 179.7° | 180.0° |
| C42 | C43 | C44 | H431 | 180.0° | 179.9° |
| C42 | C43 | C44 | H443 | 180.0° | 180.0° |
| C42 | C43 | C44 | H442 | 60.0° | 60.0° |
| C42 | C43 | C44 | H441 | 60.0° | 60.0° |
| C43 | C42 | N41 | H411 | 24.9° | 0.1° |
| C44 | C43 | C42 | H421 | 179.7° | 180.0° |
| C43 | C44 | H443 | H442 | 120.0° | 120.0° |
| C43 | C44 | H443 | H441 | 120.0° | 120.0° |
| C43 | C44 | H442 | H441 | 120.0° | 120.0° |
| C27 | C26 | O45 | C25 | 127.1° | 119.7° |
| C27 | C26 | O45 | H261 | 116.7° | 120.2° |
| C27 | C26 | C25 | H261 | 120.2° | 119.9° |
| C27 | C26 | C25 | C46 | 60.9° | 17.7° |
| C27 | C26 | C25 | O49 | 176.6° | 105.8° |
| C26 | C27 | N28 | H281 | 49.5° | 2.1° |
| C27 | C26 | O45 | H451 | 180.0° | 60.4° |
| O45 | C26 | C25 | H261 | 117.6° | 120.2° |
| O45 | C26 | C25 | C46 | 176.9° | 102.2° |
| O45 | C26 | C25 | O49 | 54.4° | 134.2° |
| O45 | C26 | C27 | H271 | 56.5° | 85.4° |
| C26 | C25 | C46 | O47 | 58.4° | 72.0° |
| C26 | C25 | C46 | N48 | 121.7° | 108.0° |
| C26 | C25 | C46 | O49 | 122.0° | 122.3° |
| C25 | C26 | C27 | H271 | 65.5° | 154.7° |
| C25 | C26 | O45 | H451 | 52.9° | 179.9° |
| C26 | C25 | O49 | H491 | 55.6° | 180.0° |
| O47 | C46 | N48 | C25 | 179.9° | 179.9° |
| O47 | C46 | C25 | O49 | 63.6° | 50.4° |
| O47 | C46 | N48 | C20 | 179.0° | 171.5° |
| O47 | C46 | N48 | H481 | 1.0° | 8.4° |
| N48 | C46 | C25 | O49 | 116.3° | 129.7° |
| C46 | N48 | C20 | H481 | 180.0° | 180.0° |
| C25 | C46 | N48 | C20 | 1.0° | 8.5° |
| C46 | C25 | C26 | H261 | 59.3° | 137.6° |
| C25 | C46 | N48 | H481 | 179.1° | 171.5° |
| C46 | C25 | O49 | H491 | 68.7° | 57.5° |
| O49 | C25 | C26 | H261 | 63.2° | 14.1° |
| C33 | C10 | C11 | H111 | 56.3° | 34.7° |
| C33 | C10 | C11 | H112 | 175.1° | 154.5° |
| C33 | C10 | N09 | H091 | 90.0° | 91.1° |
| C10 | C33 | N32 | H321 | 1.5° | 1.4° |
| C17 | C12 | C13 | H131 | 178.8° | 176.6° |
| C17 | C12 | C11 | H111 | 144.2° | 91.1° |
| C17 | C12 | C11 | H112 | 25.4° | 28.6° |
| C12 | C17 | C16 | H161 | 179.6° | 179.7° |
| C24 | C19 | C20 | N48 | 179.4° | 176.4° |
| C19 | C24 | C23 | H231 | 179.7° | 179.7° |
| H101 | C10 | C11 | H111 | 63.3° | 85.6° |
| H101 | C10 | C11 | H112 | 55.5° | 34.2° |
| H101 | C10 | N09 | H091 | 152.3° | 149.4° |
| H171 | C17 | C16 | H161 | 0.4° | 0.4° |
| H221 | C22 | C23 | H231 | 0.4° | 0.2° |
| H241 | C24 | C23 | H231 | 0.3° | 0.2° |
| H261 | C26 | C27 | H271 | 174.4° | 34.8° |
| H261 | C26 | O45 | H451 | 63.3° | 59.8° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H013 | C01 | C02 | H021 | 59.6° | 180.0° |
| H013 | C01 | C02 | H022 | 59.6° | 60.0° |
| H011 | C01 | C02 | H021 | 60.4° | 60.0° |
| H011 | C01 | C02 | H022 | 179.6° | 60.0° |
| H012 | C01 | C02 | H021 | 179.6° | 60.1° |
| H012 | C01 | C02 | H022 | 60.4° | 180.0° |
| H021 | C02 | C03 | H031 | 99.2° | 175.0° |
| H022 | C02 | C03 | H031 | 141.7° | 65.0° |
| H031 | C03 | C04 | H042 | 60.1° | 180.0° |
| H031 | C03 | C04 | H043 | 60.0° | 60.0° |
| H031 | C03 | C04 | H041 | 180.0° | 59.9° |
| H042 | C04 | H043 | H041 | 120.0° | 120.0° |
| H271 | C27 | N28 | H281 | 174.9° | 117.6° |
| H311 | C31 | C35 | H352 | 172.9° | 74.7° |
| H311 | C31 | C35 | H351 | 55.5° | 165.3° |
| H311 | C31 | N32 | H321 | 176.2° | 34.6° |
| H421 | C42 | C43 | H431 | 0.3° | 0.1° |
| H421 | C42 | N41 | H411 | 155.1° | 180.0° |
| H431 | C43 | C44 | H443 | 0.0° | 0.0° |
| H431 | C43 | C44 | H442 | 120.0° | 120.0° |
| H431 | C43 | C44 | H441 | 120.0° | 120.0° |
| H443 | C44 | H442 | H441 | 120.0° | 120.0° |
