A1CZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C08 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N13 | C12 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| N21 | N20 | sing | 1.40Å | 1.38Å | |
| C22 | N21 | sing | 1.35Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C27 | N26 | sing | 1.48Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.48Å | |
| O30 | C29 | sing | 1.44Å | 1.46Å | |
| C31 | O30 | sing | 1.44Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.46Å | |
| C32 | C28 | sing | 1.53Å | 1.49Å | |
| N26 | C25 | sing | 1.35Å | 1.43Å | |
| O33 | C25 | doub | 1.21Å | 1.19Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| O34 | C22 | doub | 1.21Å | 1.19Å | |
| N20 | C19 | sing | 1.35Å | 1.43Å | |
| O35 | C19 | doub | 1.21Å | 1.19Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C36 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| N39 | C38 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.25Å | |
| C40 | N13 | sing | 1.47Å | 1.46Å | |
| C41 | C40 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.45Å | |
| C42 | C10 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| O09 | C08 | sing | 1.36Å | 1.44Å | |
| C44 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C44 | sing | 1.39Å | 1.42Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.54Å | |
| C47 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| N49 | C48 | doub | 1.32Å | 1.32Å | Aromatic |
| C02 | N49 | sing | 1.32Å | 1.32Å | Aromatic |
| C05 | C46 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C41 | sing | 1.53Å | 1.47Å | |
| C15 | N39 | sing | 1.32Å | 1.32Å | Aromatic |
| N26 | C32 | sing | 1.48Å | 1.49Å | |
| C28 | C31 | sing | 1.53Å | 1.46Å | |
| C43 | C44 | sing | 1.51Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 118.7° | 119.5° |
| C01 | C02 | N49 | 120.4° | 119.6° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C02 | C03 | C04 | 119.1° | 119.0° |
| C03 | C02 | N49 | 120.9° | 120.9° |
| C02 | C03 | H031 | 120.5° | 120.5° |
| C03 | C04 | C05 | 121.9° | 120.9° |
| C03 | C04 | C47 | 118.4° | 118.2° |
| C04 | C03 | H031 | 120.4° | 120.5° |
| C05 | C06 | C07 | 124.4° | 119.9° |
| C05 | C06 | C08 | 119.2° | 120.1° |
| C06 | C05 | C04 | 121.1° | 120.2° |
| C06 | C05 | C46 | 120.1° | 119.7° |
| C07 | C06 | C08 | 116.3° | 120.0° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.4° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C08 | O09 | 116.6° | 118.3° |
| C06 | C08 | C44 | 120.2° | 119.9° |
| O09 | C10 | C11 | 103.8° | 109.8° |
| O09 | C10 | C42 | 112.1° | 108.7° |
| C10 | O09 | C08 | 117.4° | 118.0° |
| O09 | C10 | C41 | 97.7° | 109.8° |
| C11 | C12 | N13 | 113.7° | 109.5° |
| C12 | C11 | C10 | 114.3° | 109.3° |
| C12 | C11 | H111 | 108.2° | 109.5° |
| C12 | C11 | H112 | 108.3° | 109.5° |
| C11 | C12 | H121 | 108.4° | 109.5° |
| C11 | C12 | H122 | 108.4° | 109.5° |
| C12 | N13 | C14 | 109.5° | 111.0° |
| C12 | N13 | C40 | 107.8° | 111.2° |
| N13 | C12 | H121 | 108.4° | 109.5° |
| N13 | C12 | H122 | 108.4° | 109.4° |
| C14 | C15 | C16 | 120.8° | 119.6° |
| C15 | C14 | N13 | 115.6° | 109.5° |
| C14 | C15 | N39 | 121.3° | 119.6° |
| C15 | C14 | H141 | 107.9° | 109.4° |
| C15 | C14 | H142 | 107.9° | 109.5° |
| C15 | C16 | C17 | 121.0° | 120.5° |
| C15 | C16 | C36 | 119.1° | 119.1° |
| C16 | C15 | N39 | 117.9° | 120.8° |
| C17 | C18 | C19 | 116.9° | 109.5° |
| C18 | C17 | C16 | 105.3° | 109.5° |
| C18 | C17 | H171 | 110.5° | 109.5° |
| C18 | C17 | H172 | 110.5° | 109.4° |
| C17 | C18 | H181 | 107.6° | 109.5° |
| C17 | C18 | H182 | 107.5° | 109.5° |
| C18 | C19 | N20 | 114.7° | 120.0° |
| C18 | C19 | O35 | 125.5° | 120.0° |
| C19 | C18 | H181 | 107.6° | 109.5° |
| C19 | C18 | H182 | 107.6° | 109.4° |
| N20 | N21 | C22 | 111.4° | 120.0° |
| N21 | N20 | C19 | 120.6° | 120.0° |
| N21 | N20 | H201 | 119.7° | 120.0° |
| N20 | N21 | H211 | 124.3° | 120.0° |
| N21 | C22 | C23 | 117.8° | 120.0° |
| N21 | C22 | O34 | 118.1° | 120.0° |
| C22 | N21 | H211 | 124.3° | 120.0° |
| C23 | C24 | C25 | 111.6° | 109.5° |
| C24 | C23 | C22 | 110.5° | 109.5° |
| C23 | C24 | H241 | 108.9° | 109.4° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.4° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C24 | C25 | N26 | 117.8° | 120.0° |
| C24 | C25 | O33 | 121.0° | 120.0° |
| C25 | C24 | H241 | 108.9° | 109.5° |
| C25 | C24 | H242 | 108.9° | 109.5° |
| N26 | C27 | C28 | 89.1° | 85.7° |
| C27 | N26 | C25 | 133.6° | 134.3° |
| C27 | N26 | C32 | 90.5° | 91.3° |
| N26 | C27 | H271 | 114.3° | 113.8° |
| N26 | C27 | H272 | 114.3° | 113.9° |
| C27 | C28 | C29 | 111.6° | 121.5° |
| C27 | C28 | C32 | 91.0° | 87.5° |
| C27 | C28 | C31 | 126.6° | 121.6° |
| C28 | C27 | H271 | 114.3° | 113.8° |
| C28 | C27 | H272 | 114.3° | 113.9° |
| C29 | O30 | C31 | 90.9° | 93.6° |
| O30 | C29 | C28 | 89.3° | 85.1° |
| O30 | C29 | H291 | 114.3° | 113.9° |
| O30 | C29 | H292 | 114.3° | 114.1° |
| O30 | C31 | C28 | 89.1° | 85.1° |
| O30 | C31 | H311 | 114.3° | 113.9° |
| O30 | C31 | H312 | 114.3° | 113.9° |
| C29 | C28 | C32 | 123.2° | 121.6° |
| C29 | C28 | C31 | 90.5° | 87.1° |
| C28 | C29 | H291 | 114.3° | 113.9° |
| C28 | C29 | H292 | 114.2° | 114.0° |
| C28 | C32 | N26 | 89.1° | 85.7° |
| C32 | C28 | C31 | 117.2° | 121.6° |
| C28 | C32 | H321 | 114.3° | 113.8° |
| C28 | C32 | H322 | 114.3° | 113.8° |
| N26 | C25 | O33 | 121.2° | 120.0° |
| C25 | N26 | C32 | 135.9° | 134.4° |
| C23 | C22 | O34 | 124.1° | 120.0° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.2° | 109.5° |
| N20 | C19 | O35 | 119.7° | 120.0° |
| C19 | N20 | H201 | 119.7° | 120.0° |
| C17 | C16 | C36 | 119.9° | 120.4° |
| C16 | C17 | H171 | 110.5° | 109.5° |
| C16 | C17 | H172 | 110.5° | 109.5° |
| C16 | C36 | C37 | 120.3° | 118.4° |
| C16 | C36 | H361 | 119.9° | 120.8° |
| C36 | C37 | C38 | 117.8° | 119.2° |
| C37 | C36 | H361 | 119.9° | 120.8° |
| C36 | C37 | H371 | 121.1° | 120.5° |
| C37 | C38 | N39 | 119.7° | 120.8° |
| C38 | C37 | H371 | 121.1° | 120.4° |
| C37 | C38 | H381 | 120.2° | 119.6° |
| C38 | N39 | C15 | 125.2° | 121.7° |
| N39 | C38 | H381 | 120.2° | 119.6° |
| C14 | N13 | C40 | 113.1° | 111.0° |
| N13 | C14 | H141 | 107.9° | 109.5° |
| N13 | C14 | H142 | 107.9° | 109.5° |
| N13 | C40 | C41 | 114.1° | 109.5° |
| N13 | C40 | H401 | 108.3° | 109.4° |
| N13 | C40 | H402 | 108.3° | 109.4° |
| C40 | C41 | C10 | 117.4° | 109.3° |
| C41 | C40 | H401 | 108.3° | 109.5° |
| C41 | C40 | H402 | 108.3° | 109.5° |
| C40 | C41 | H411 | 107.5° | 109.5° |
| C40 | C41 | H412 | 107.4° | 109.5° |
| C11 | C10 | C42 | 123.2° | 109.6° |
| C11 | C10 | C41 | 112.6° | 109.5° |
| C10 | C11 | H111 | 108.3° | 109.6° |
| C10 | C11 | H112 | 108.2° | 109.5° |
| C10 | C42 | C43 | 116.3° | 108.4° |
| C42 | C10 | C41 | 104.6° | 109.5° |
| C10 | C42 | H421 | 107.7° | 109.7° |
| C10 | C42 | H422 | 107.8° | 109.7° |
| C42 | C43 | C44 | 114.9° | 109.7° |
| C43 | C42 | H421 | 107.8° | 109.7° |
| C43 | C42 | H422 | 107.7° | 109.7° |
| C42 | C43 | H431 | 108.1° | 109.4° |
| C42 | C43 | H432 | 108.1° | 109.4° |
| O09 | C08 | C44 | 123.2° | 121.8° |
| C08 | C44 | C45 | 121.4° | 120.0° |
| C08 | C44 | C43 | 118.7° | 121.4° |
| C44 | C45 | C46 | 117.6° | 120.5° |
| C45 | C44 | C43 | 119.9° | 118.6° |
| C44 | C45 | H451 | 121.2° | 119.8° |
| C45 | C46 | C05 | 121.4° | 119.9° |
| C46 | C45 | H451 | 121.2° | 119.7° |
| C45 | C46 | H461 | 119.3° | 120.0° |
| C05 | C04 | C47 | 119.7° | 120.9° |
| C04 | C05 | C46 | 118.7° | 120.1° |
| C04 | C47 | C48 | 119.1° | 119.0° |
| C04 | C47 | H471 | 120.5° | 120.5° |
| C47 | C48 | N49 | 120.5° | 120.9° |
| C48 | C47 | H471 | 120.5° | 120.5° |
| C47 | C48 | H481 | 119.7° | 119.5° |
| C48 | N49 | C02 | 122.0° | 122.0° |
| N49 | C48 | H481 | 119.8° | 119.6° |
| C05 | C46 | H461 | 119.3° | 120.1° |
| C10 | C41 | H411 | 107.5° | 109.5° |
| C10 | C41 | H412 | 107.5° | 109.5° |
| N26 | C32 | H321 | 114.3° | 113.9° |
| N26 | C32 | H322 | 114.3° | 113.9° |
| C28 | C31 | H311 | 114.3° | 113.9° |
| C28 | C31 | H312 | 114.3° | 114.0° |
| C44 | C43 | H431 | 108.1° | 109.4° |
| C44 | C43 | H432 | 108.1° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.4° |
| H271 | C27 | H272 | 109.5° | 113.1° |
| H291 | C29 | H292 | 109.5° | 113.1° |
| H311 | C31 | H312 | 109.5° | 113.2° |
| H321 | C32 | H322 | 109.5° | 113.0° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.6° |
| H421 | C42 | H422 | 109.5° | 109.7° |
| H431 | C43 | H432 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N49 | 179.6° | 179.7° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | N49 | C48 | 179.3° | 179.7° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.3° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.4° | 179.9° |
| C02 | C03 | C04 | C47 | 1.2° | 0.0° |
| C03 | C02 | N49 | C48 | 0.3° | 0.5° |
| C03 | C02 | C01 | H011 | 179.6° | 89.8° |
| C03 | C02 | C01 | H012 | 59.6° | 30.3° |
| C03 | C02 | C01 | H013 | 60.4° | 150.3° |
| C03 | C04 | C05 | C06 | 55.7° | 124.1° |
| C03 | C04 | C05 | C47 | 179.4° | 180.0° |
| C03 | C04 | C47 | C48 | 0.6° | 0.0° |
| C04 | C03 | C02 | N49 | 0.7° | 0.2° |
| C03 | C04 | C05 | C46 | 126.0° | 56.1° |
| C03 | C04 | C47 | H471 | 179.4° | 179.9° |
| C05 | C06 | C07 | C08 | 179.2° | 180.0° |
| C05 | C06 | C08 | O09 | 179.4° | 179.3° |
| C05 | C06 | C08 | C44 | 1.5° | 0.2° |
| C06 | C05 | C46 | C45 | 0.9° | 0.0° |
| C06 | C05 | C04 | C46 | 178.4° | 179.9° |
| C06 | C05 | C04 | C47 | 124.9° | 55.9° |
| C05 | C06 | C07 | H071 | 90.5° | 90.1° |
| C05 | C06 | C07 | H072 | 149.5° | 150.0° |
| C05 | C06 | C07 | H073 | 29.5° | 30.0° |
| C06 | C05 | C46 | H461 | 179.1° | 179.9° |
| C07 | C06 | C08 | O09 | 1.4° | 0.7° |
| C07 | C06 | C08 | C44 | 179.3° | 179.8° |
| C07 | C06 | C05 | C04 | 0.4° | 0.1° |
| C07 | C06 | C05 | C46 | 178.8° | 179.9° |
| C06 | C07 | H071 | H072 | 120.0° | 119.9° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H072 | H073 | 120.0° | 120.0° |
| C06 | C08 | O09 | C10 | 159.2° | 163.5° |
| C06 | C08 | O09 | C44 | 177.9° | 179.5° |
| C06 | C08 | C44 | C45 | 2.8° | 0.3° |
| C08 | C06 | C05 | C04 | 178.7° | 180.0° |
| C08 | C06 | C05 | C46 | 0.4° | 0.1° |
| C06 | C08 | C44 | C43 | 180.0° | 179.6° |
| C08 | C06 | C07 | H071 | 90.3° | 89.9° |
| C08 | C06 | C07 | H072 | 29.7° | 30.0° |
| C08 | C06 | C07 | H073 | 149.7° | 150.0° |
| O09 | C10 | C11 | C12 | 63.3° | 63.3° |
| O09 | C10 | C41 | C40 | 72.1° | 63.3° |
| O09 | C10 | C11 | C42 | 128.6° | 119.3° |
| O09 | C10 | C11 | C41 | 104.6° | 120.6° |
| O09 | C10 | C42 | C41 | 104.8° | 119.9° |
| O09 | C10 | C42 | C43 | 47.4° | 64.3° |
| C10 | O09 | C08 | C44 | 23.0° | 16.9° |
| O09 | C10 | C11 | H111 | 175.9° | 56.6° |
| O09 | C10 | C11 | H112 | 57.4° | 176.8° |
| O09 | C10 | C41 | H411 | 49.0° | 176.8° |
| O09 | C10 | C41 | H412 | 166.7° | 56.6° |
| O09 | C10 | C42 | H421 | 168.4° | 55.4° |
| O09 | C10 | C42 | H422 | 73.6° | 176.0° |
| C11 | C12 | N13 | H121 | 120.6° | 120.0° |
| C11 | C12 | N13 | H122 | 120.6° | 120.0° |
| C11 | C12 | N13 | C14 | 177.8° | 174.1° |
| C11 | C12 | N13 | C40 | 58.7° | 61.8° |
| C12 | C11 | C10 | H111 | 120.7° | 120.0° |
| C12 | C11 | C10 | H112 | 120.7° | 119.9° |
| C12 | C11 | C10 | C42 | 168.0° | 177.4° |
| C12 | C11 | C10 | C41 | 41.3° | 57.3° |
| C12 | C11 | H111 | H112 | 117.8° | 120.0° |
| C11 | C12 | H121 | H122 | 118.1° | 120.0° |
| C12 | N13 | C14 | C15 | 171.7° | 71.5° |
| C12 | N13 | C14 | C40 | 120.3° | 124.3° |
| C12 | N13 | C40 | C41 | 52.3° | 61.8° |
| N13 | C12 | C11 | C10 | 55.3° | 58.9° |
| N13 | C12 | C11 | H111 | 65.4° | 178.9° |
| N13 | C12 | C11 | H112 | 176.0° | 61.0° |
| N13 | C12 | H121 | H122 | 118.1° | 119.9° |
| C12 | N13 | C14 | H141 | 50.9° | 48.5° |
| C12 | N13 | C14 | H142 | 67.4° | 168.5° |
| C12 | N13 | C40 | H401 | 68.5° | 178.2° |
| C12 | N13 | C40 | H402 | 172.9° | 58.2° |
| C14 | C15 | C16 | N39 | 179.5° | 179.7° |
| C14 | C15 | C16 | C17 | 1.2° | 0.0° |
| C14 | C15 | C16 | C36 | 180.0° | 180.0° |
| C14 | C15 | N39 | C38 | 179.8° | 179.7° |
| C15 | C14 | N13 | H141 | 120.9° | 120.0° |
| C15 | C14 | N13 | H142 | 120.9° | 120.0° |
| C15 | C14 | N13 | C40 | 68.0° | 164.2° |
| C15 | C14 | H141 | H142 | 117.2° | 120.0° |
| C15 | C16 | C17 | C18 | 101.8° | 86.2° |
| C15 | C16 | C17 | C36 | 178.8° | 180.0° |
| C15 | C16 | C36 | C37 | 0.6° | 0.0° |
| C16 | C15 | N39 | C38 | 0.3° | 0.5° |
| C16 | C15 | C14 | N13 | 171.3° | 84.9° |
| C15 | C16 | C17 | H171 | 17.6° | 153.8° |
| C15 | C16 | C17 | H172 | 138.9° | 33.8° |
| C16 | C15 | C14 | H141 | 67.8° | 155.1° |
| C16 | C15 | C14 | H142 | 50.4° | 35.1° |
| C15 | C16 | C36 | H361 | 179.4° | 180.0° |
| C17 | C18 | C19 | H181 | 121.1° | 120.0° |
| C17 | C18 | C19 | H182 | 121.0° | 120.0° |
| C17 | C18 | C19 | N20 | 138.8° | 174.9° |
| C17 | C18 | C19 | O35 | 42.1° | 5.2° |
| C18 | C17 | C16 | H171 | 119.3° | 120.0° |
| C18 | C17 | C16 | H172 | 119.3° | 120.0° |
| C18 | C17 | C16 | C36 | 77.0° | 93.8° |
| C18 | C17 | H171 | H172 | 121.9° | 120.0° |
| C17 | C18 | H181 | H182 | 116.6° | 120.0° |
| C18 | C19 | N20 | N21 | 178.4° | 175.0° |
| C18 | C19 | N20 | O35 | 179.1° | 179.9° |
| C19 | C18 | C17 | C16 | 170.1° | 175.1° |
| C19 | C18 | C17 | H171 | 50.7° | 64.8° |
| C19 | C18 | C17 | H172 | 70.6° | 55.1° |
| C19 | C18 | H181 | H182 | 116.6° | 120.0° |
| C18 | C19 | N20 | H201 | 1.6° | 5.0° |
| N20 | N21 | C22 | H211 | 180.0° | 180.0° |
| N20 | N21 | C22 | C23 | 178.4° | 175.0° |
| N20 | N21 | C22 | O34 | 0.3° | 4.9° |
| N21 | N20 | C19 | H201 | 180.0° | 180.0° |
| N21 | N20 | C19 | O35 | 0.7° | 4.9° |
| N21 | C22 | C23 | C24 | 53.9° | 174.9° |
| N21 | C22 | C23 | O34 | 178.6° | 179.9° |
| C22 | N21 | N20 | C19 | 129.4° | 174.9° |
| N21 | C22 | C23 | H231 | 174.0° | 54.9° |
| N21 | C22 | C23 | H232 | 66.3° | 65.1° |
| C22 | N21 | N20 | H201 | 50.6° | 5.1° |
| C23 | C24 | C25 | H241 | 120.4° | 120.0° |
| C23 | C24 | C25 | H242 | 120.3° | 120.0° |
| C23 | C24 | C25 | N26 | 144.9° | 180.0° |
| C23 | C24 | C25 | O33 | 35.4° | 0.0° |
| C24 | C23 | C22 | H231 | 120.2° | 120.0° |
| C24 | C23 | C22 | H232 | 120.2° | 120.0° |
| C24 | C23 | C22 | O34 | 127.5° | 5.0° |
| C23 | C24 | H241 | H242 | 119.0° | 120.0° |
| C24 | C23 | H231 | H232 | 119.5° | 119.9° |
| C24 | C25 | N26 | C27 | 0.6° | 179.9° |
| C24 | C25 | N26 | O33 | 179.7° | 179.9° |
| C25 | C24 | C23 | C22 | 167.7° | 175.2° |
| C24 | C25 | N26 | C32 | 179.0° | 0.0° |
| C25 | C24 | H241 | H242 | 119.0° | 120.0° |
| C25 | C24 | C23 | H231 | 47.5° | 64.8° |
| C25 | C24 | C23 | H232 | 72.1° | 55.2° |
| N26 | C27 | C28 | H271 | 116.4° | 114.2° |
| N26 | C27 | C28 | H272 | 116.4° | 114.2° |
| N26 | C27 | C28 | C29 | 130.8° | 149.0° |
| N26 | C27 | C28 | C32 | 4.3° | 23.0° |
| C27 | N26 | C25 | C32 | 178.4° | 179.9° |
| C27 | N26 | C25 | O33 | 179.7° | 0.0° |
| N26 | C27 | C28 | C31 | 121.4° | 103.1° |
| N26 | C27 | H271 | H272 | 129.7° | 132.0° |
| C27 | N26 | C32 | H321 | 112.2° | 90.4° |
| C27 | N26 | C32 | H322 | 120.6° | 138.0° |
| C27 | C28 | C29 | O30 | 133.3° | 103.8° |
| C27 | C28 | C31 | O30 | 120.9° | 103.8° |
| C27 | C28 | C29 | C32 | 106.3° | 108.5° |
| C27 | C28 | C29 | C31 | 130.1° | 125.7° |
| C27 | C28 | C32 | C31 | 132.8° | 126.1° |
| C28 | C27 | N26 | C25 | 174.6° | 156.3° |
| C28 | C27 | H271 | H272 | 129.6° | 132.0° |
| C27 | C28 | C29 | H291 | 16.9° | 142.2° |
| C27 | C28 | C29 | H292 | 110.3° | 10.4° |
| C27 | C28 | C31 | H311 | 122.7° | 10.2° |
| C27 | C28 | C31 | H312 | 4.5° | 142.2° |
| C27 | C28 | C32 | H321 | 112.1° | 91.3° |
| C27 | C28 | C32 | H322 | 120.7° | 137.3° |
| O30 | C29 | C28 | H291 | 116.4° | 114.0° |
| O30 | C29 | C28 | H292 | 116.4° | 114.2° |
| O30 | C29 | C28 | C32 | 120.4° | 147.7° |
| C29 | O30 | C31 | C28 | 3.2° | 23.3° |
| O30 | C29 | H291 | H292 | 129.6° | 132.4° |
| C29 | O30 | C31 | H311 | 119.6° | 137.3° |
| C29 | O30 | C31 | H312 | 113.2° | 90.8° |
| O30 | C31 | C28 | C32 | 125.1° | 147.7° |
| O30 | C31 | C28 | H311 | 116.4° | 114.0° |
| O30 | C31 | C28 | H312 | 116.4° | 114.1° |
| C31 | O30 | C29 | H291 | 113.2° | 90.7° |
| C31 | O30 | C29 | H292 | 119.6° | 137.4° |
| O30 | C31 | H311 | H312 | 129.7° | 132.3° |
| C29 | C28 | C32 | C31 | 110.4° | 107.9° |
| C29 | C28 | C32 | N26 | 121.1° | 149.0° |
| C29 | C28 | C27 | H271 | 14.4° | 96.8° |
| C29 | C28 | C27 | H272 | 112.8° | 34.8° |
| C28 | C29 | H291 | H292 | 129.6° | 132.2° |
| C29 | C28 | C31 | H311 | 119.6° | 135.9° |
| C29 | C28 | C31 | H312 | 113.2° | 92.1° |
| C29 | C28 | C32 | H321 | 4.8° | 34.7° |
| C29 | C28 | C32 | H322 | 122.5° | 96.7° |
| C28 | C32 | N26 | C25 | 174.6° | 156.3° |
| C28 | C32 | N26 | H321 | 116.4° | 114.2° |
| C28 | C32 | N26 | H322 | 116.4° | 114.2° |
| C32 | C28 | C27 | H271 | 112.2° | 137.1° |
| C32 | C28 | C27 | H272 | 120.6° | 91.3° |
| C32 | C28 | C29 | H291 | 123.2° | 33.7° |
| C32 | C28 | C29 | H292 | 3.9° | 98.1° |
| C32 | C28 | C31 | H311 | 8.7° | 98.3° |
| C32 | C28 | C31 | H312 | 118.5° | 33.6° |
| C28 | C32 | H321 | H322 | 129.7° | 131.9° |
| N26 | C25 | C24 | H241 | 94.7° | 60.1° |
| N26 | C25 | C24 | H242 | 24.6° | 60.0° |
| C25 | N26 | C27 | H271 | 69.0° | 42.1° |
| C25 | N26 | C27 | H272 | 58.3° | 89.5° |
| C25 | N26 | C32 | H321 | 69.0° | 89.6° |
| C25 | N26 | C32 | H322 | 58.2° | 42.1° |
| O33 | C25 | N26 | C32 | 1.3° | 179.9° |
| O33 | C25 | C24 | H241 | 85.0° | 120.0° |
| O33 | C25 | C24 | H242 | 155.7° | 120.0° |
| C22 | C23 | C24 | H241 | 47.3° | 55.2° |
| C22 | C23 | C24 | H242 | 72.0° | 64.8° |
| C22 | C23 | H231 | H232 | 119.5° | 120.0° |
| C23 | C22 | N21 | H211 | 1.6° | 5.0° |
| O34 | C22 | C23 | H231 | 7.3° | 125.0° |
| O34 | C22 | C23 | H232 | 112.3° | 115.0° |
| O34 | C22 | N21 | H211 | 179.7° | 175.1° |
| N20 | C19 | C18 | H181 | 17.8° | 65.1° |
| N20 | C19 | C18 | H182 | 100.1° | 54.9° |
| C19 | N20 | N21 | H211 | 50.6° | 5.0° |
| O35 | C19 | C18 | H181 | 163.2° | 114.9° |
| O35 | C19 | C18 | H182 | 78.9° | 125.1° |
| O35 | C19 | N20 | H201 | 179.3° | 175.1° |
| C17 | C16 | C36 | C37 | 179.4° | 180.0° |
| C17 | C16 | C15 | N39 | 179.3° | 179.7° |
| C16 | C17 | H171 | H172 | 121.9° | 120.0° |
| C16 | C17 | C18 | H181 | 49.0° | 55.1° |
| C16 | C17 | C18 | H182 | 68.9° | 64.9° |
| C17 | C16 | C36 | H361 | 0.6° | 0.0° |
| C16 | C36 | C37 | H361 | 180.0° | 180.0° |
| C16 | C36 | C37 | C38 | 0.5° | 0.0° |
| C36 | C16 | C15 | N39 | 0.5° | 0.3° |
| C36 | C16 | C17 | H171 | 163.7° | 26.3° |
| C36 | C16 | C17 | H172 | 42.3° | 146.3° |
| C16 | C36 | C37 | H371 | 179.5° | 180.0° |
| C36 | C37 | C38 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | N39 | 0.2° | 0.3° |
| C36 | C37 | C38 | H381 | 179.7° | 180.0° |
| C37 | C38 | N39 | H381 | 180.0° | 179.8° |
| C37 | C38 | N39 | C15 | 0.2° | 0.5° |
| C38 | C37 | C36 | H361 | 179.5° | 180.0° |
| N39 | C38 | C37 | H371 | 179.7° | 179.8° |
| C14 | N13 | C40 | C41 | 173.5° | 174.0° |
| N13 | C14 | C15 | N39 | 8.2° | 95.4° |
| C14 | N13 | C12 | H121 | 61.6° | 65.9° |
| C14 | N13 | C12 | H122 | 57.2° | 54.1° |
| N13 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | N13 | C40 | H401 | 52.8° | 54.0° |
| C14 | N13 | C40 | H402 | 65.8° | 65.9° |
| N13 | C40 | C41 | H401 | 120.7° | 120.0° |
| N13 | C40 | C41 | H402 | 120.7° | 120.0° |
| N13 | C40 | C41 | C10 | 43.5° | 59.0° |
| C40 | N13 | C12 | H121 | 61.9° | 58.3° |
| C40 | N13 | C12 | H122 | 179.3° | 178.2° |
| C40 | N13 | C14 | H141 | 171.2° | 75.8° |
| C40 | N13 | C14 | H142 | 52.9° | 44.2° |
| N13 | C40 | H401 | H402 | 117.9° | 119.9° |
| N13 | C40 | C41 | H411 | 164.6° | 60.9° |
| N13 | C40 | C41 | H412 | 77.7° | 178.9° |
| C40 | C41 | C10 | C11 | 36.4° | 57.3° |
| C40 | C41 | C10 | C42 | 172.5° | 177.5° |
| C40 | C41 | C10 | H411 | 121.1° | 119.9° |
| C40 | C41 | C10 | H412 | 121.1° | 119.9° |
| C41 | C40 | H401 | H402 | 117.9° | 120.0° |
| C40 | C41 | H411 | H412 | 116.4° | 120.1° |
| C11 | C10 | C42 | C41 | 130.2° | 120.1° |
| C11 | C10 | C42 | C43 | 172.4° | 55.8° |
| C11 | C10 | O09 | C08 | 179.4° | 71.3° |
| C10 | C11 | H111 | H112 | 117.8° | 120.1° |
| C10 | C11 | C12 | H121 | 65.3° | 61.1° |
| C10 | C11 | C12 | H122 | 175.9° | 178.9° |
| C11 | C10 | C41 | H411 | 157.5° | 62.5° |
| C11 | C10 | C41 | H412 | 84.7° | 177.3° |
| C11 | C10 | C42 | H421 | 66.6° | 175.5° |
| C11 | C10 | C42 | H422 | 51.4° | 64.0° |
| C10 | C42 | C43 | H421 | 121.0° | 119.7° |
| C10 | C42 | C43 | H422 | 121.0° | 119.7° |
| C42 | C10 | O09 | C08 | 44.3° | 48.6° |
| C10 | C42 | C43 | C44 | 27.9° | 48.2° |
| C42 | C10 | C11 | H111 | 47.3° | 62.7° |
| C42 | C10 | C11 | H112 | 71.2° | 57.4° |
| C42 | C10 | C41 | H411 | 66.3° | 57.6° |
| C42 | C10 | C41 | H412 | 51.4° | 62.6° |
| C10 | C42 | H421 | H422 | 116.9° | 120.5° |
| C10 | C42 | C43 | H431 | 92.9° | 168.3° |
| C10 | C42 | C43 | H432 | 148.7° | 71.8° |
| C42 | C43 | C44 | C08 | 5.3° | 18.3° |
| C42 | C43 | C44 | C45 | 177.5° | 161.8° |
| C43 | C42 | C10 | C41 | 57.4° | 175.8° |
| C42 | C43 | C44 | H431 | 120.8° | 120.1° |
| C42 | C43 | C44 | H432 | 120.8° | 120.1° |
| C43 | C42 | H421 | H422 | 116.9° | 120.6° |
| C42 | C43 | H431 | H432 | 117.5° | 119.9° |
| O09 | C08 | C44 | C45 | 179.4° | 179.3° |
| C08 | O09 | C10 | C41 | 65.0° | 168.3° |
| O09 | C08 | C44 | C43 | 2.3° | 0.8° |
| C08 | C44 | C45 | C43 | 177.1° | 179.9° |
| C08 | C44 | C45 | C46 | 2.2° | 0.1° |
| C08 | C44 | C43 | H431 | 115.5° | 138.4° |
| C08 | C44 | C43 | H432 | 126.1° | 101.8° |
| C08 | C44 | C45 | H451 | 177.8° | 179.8° |
| C44 | C45 | C46 | H451 | 180.0° | 180.0° |
| C44 | C45 | C46 | C05 | 0.3° | 0.0° |
| C45 | C44 | C43 | H431 | 61.7° | 41.7° |
| C45 | C44 | C43 | H432 | 56.7° | 78.1° |
| C44 | C45 | C46 | H461 | 179.7° | 180.0° |
| C45 | C46 | C05 | C04 | 179.3° | 179.8° |
| C45 | C46 | C05 | H461 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 179.3° | 179.8° |
| C05 | C04 | C47 | C48 | 179.9° | 180.0° |
| C05 | C04 | C03 | H031 | 0.6° | 0.0° |
| C04 | C05 | C46 | H461 | 0.7° | 0.2° |
| C05 | C04 | C47 | H471 | 0.1° | 0.1° |
| C04 | C47 | C48 | H471 | 180.0° | 179.9° |
| C04 | C47 | C48 | N49 | 0.4° | 0.3° |
| C47 | C04 | C05 | C46 | 53.4° | 124.0° |
| C47 | C04 | C03 | H031 | 178.9° | 180.0° |
| C04 | C47 | C48 | H481 | 179.6° | 180.0° |
| C47 | C48 | N49 | H481 | 180.0° | 179.7° |
| C47 | C48 | N49 | C02 | 0.9° | 0.5° |
| N49 | C48 | C47 | H471 | 179.6° | 179.8° |
| N49 | C02 | C01 | H011 | 0.0° | 90.0° |
| N49 | C02 | C01 | H012 | 120.0° | 150.0° |
| N49 | C02 | C01 | H013 | 120.0° | 30.0° |
| N49 | C02 | C03 | H031 | 179.3° | 179.8° |
| C02 | N49 | C48 | H481 | 179.1° | 179.7° |
| C05 | C46 | C45 | H451 | 179.7° | 180.0° |
| C41 | C10 | C11 | H111 | 79.5° | 177.3° |
| C41 | C10 | C11 | H112 | 162.0° | 62.6° |
| C10 | C41 | C40 | H401 | 77.2° | 179.0° |
| C10 | C41 | C40 | H402 | 164.2° | 61.0° |
| C10 | C41 | H411 | H412 | 116.4° | 120.1° |
| C41 | C10 | C42 | H421 | 63.6° | 64.5° |
| C41 | C10 | C42 | H422 | 178.4° | 56.1° |
| N39 | C15 | C14 | H141 | 112.7° | 24.6° |
| N39 | C15 | C14 | H142 | 129.1° | 144.6° |
| C15 | N39 | C38 | H381 | 179.8° | 179.7° |
| N26 | C32 | C28 | C31 | 128.5° | 103.1° |
| C32 | N26 | C27 | H271 | 112.2° | 137.9° |
| C32 | N26 | C27 | H272 | 120.6° | 90.4° |
| N26 | C32 | H321 | H322 | 129.7° | 132.1° |
| C31 | C28 | C27 | H271 | 122.2° | 11.1° |
| C31 | C28 | C27 | H272 | 5.0° | 142.7° |
| C31 | C28 | C29 | H291 | 113.2° | 92.1° |
| C31 | C28 | C29 | H292 | 119.6° | 136.1° |
| C28 | C31 | H311 | H312 | 129.7° | 132.3° |
| C31 | C28 | C32 | H321 | 115.1° | 142.7° |
| C31 | C28 | C32 | H322 | 12.1° | 11.2° |
| C44 | C43 | C42 | H421 | 148.9° | 71.5° |
| C44 | C43 | C42 | H422 | 93.1° | 168.0° |
| C44 | C43 | H431 | H432 | 117.6° | 119.9° |
| C43 | C44 | C45 | H451 | 0.7° | 0.3° |
| H171 | C17 | C18 | H181 | 70.3° | 175.1° |
| H171 | C17 | C18 | H182 | 171.8° | 55.1° |
| H172 | C17 | C18 | H181 | 168.4° | 64.9° |
| H172 | C17 | C18 | H182 | 50.5° | 175.1° |
| H241 | C24 | C23 | H231 | 72.9° | 175.3° |
| H241 | C24 | C23 | H232 | 167.5° | 64.8° |
| H242 | C24 | C23 | H231 | 167.8° | 55.3° |
| H242 | C24 | C23 | H232 | 48.2° | 175.2° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H071 | C07 | H072 | H073 | 120.0° | 120.1° |
| H111 | C11 | C12 | H121 | 174.0° | 58.9° |
| H111 | C11 | C12 | H122 | 55.2° | 61.1° |
| H112 | C11 | C12 | H121 | 55.4° | 179.0° |
| H112 | C11 | C12 | H122 | 63.4° | 59.0° |
| H361 | C36 | C37 | H371 | 0.5° | 0.0° |
| H371 | C37 | C38 | H381 | 0.3° | 0.0° |
| H401 | C40 | C41 | H411 | 43.9° | 59.1° |
| H401 | C40 | C41 | H412 | 161.6° | 61.1° |
| H402 | C40 | C41 | H411 | 74.7° | 179.1° |
| H402 | C40 | C41 | H412 | 43.0° | 58.9° |
| H421 | C42 | C43 | H431 | 28.1° | 48.6° |
| H421 | C42 | C43 | H432 | 90.3° | 168.5° |
| H422 | C42 | C43 | H431 | 146.1° | 72.0° |
| H422 | C42 | C43 | H432 | 27.7° | 47.9° |
| H451 | C45 | C46 | H461 | 0.3° | 0.0° |
| H471 | C47 | C48 | H481 | 0.4° | 0.1° |
| H201 | N20 | N21 | H211 | 129.4° | 175.0° |
