7PZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N43 | C42 | sing | 1.47Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C47 | N48 | sing | 1.47Å | 1.47Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | sing | 1.53Å | 1.58Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| C45 | C44 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C34 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C33 | C32 | sing | 1.51Å | 1.55Å | |
| C37 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.50Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | C26 | sing | 1.53Å | 1.55Å | |
| C35 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| N31 | C32 | sing | 1.37Å | 1.45Å | |
| N31 | C30 | sing | 1.48Å | 1.47Å | |
| C02 | C03 | sing | 1.51Å | 1.57Å | |
| C32 | O38 | doub | 1.21Å | 1.19Å | |
| C03 | N04 | sing | 1.48Å | 1.46Å | |
| C39 | C30 | sing | 1.53Å | 1.53Å | |
| N27 | C26 | sing | 1.48Å | 1.45Å | |
| N27 | C28 | sing | 1.36Å | 1.43Å | |
| C30 | C28 | sing | 1.51Å | 1.54Å | |
| C26 | C24 | sing | 1.51Å | 1.50Å | |
| O06 | C05 | doub | 1.21Å | 1.20Å | |
| C28 | O29 | doub | 1.21Å | 1.18Å | |
| O25 | C24 | doub | 1.21Å | 1.19Å | |
| N04 | C05 | sing | 1.36Å | 1.44Å | |
| C24 | N23 | sing | 1.37Å | 1.43Å | |
| C05 | C07 | sing | 1.51Å | 1.52Å | |
| O13 | C12 | doub | 1.21Å | 1.21Å | |
| N17 | C16 | sing | 1.37Å | 1.29Å | |
| C12 | C14 | sing | 1.51Å | 1.56Å | |
| C12 | N11 | sing | 1.37Å | 1.44Å | |
| N23 | C22 | sing | 1.48Å | 1.47Å | |
| C07 | N11 | sing | 1.48Å | 1.45Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C14 | N15 | sing | 1.46Å | 1.46Å | |
| C14 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | N15 | sing | 1.38Å | 1.45Å | |
| C16 | N18 | doub | 1.30Å | 1.41Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| 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 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N17 | H2 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N43 | H432 | sing | 1.01Å | 1.00Å | |
| N43 | H3 | sing | 1.01Å | 1.00Å | |
| N48 | H482 | sing | 1.01Å | 1.00Å | |
| N48 | H481 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N43 | C42 | C41 | 109.0° | 109.4° |
| N43 | C42 | H422 | 109.6° | 109.4° |
| N43 | C42 | H421 | 109.6° | 109.5° |
| C42 | N43 | H432 | 109.5° | 111.0° |
| C42 | N43 | H3 | 109.5° | 111.0° |
| C42 | C41 | C40 | 111.9° | 109.4° |
| C42 | C41 | H411 | 108.8° | 109.5° |
| C42 | C41 | H412 | 108.9° | 109.5° |
| C41 | C42 | H422 | 109.6° | 109.5° |
| C41 | C42 | H421 | 109.6° | 109.5° |
| N48 | C47 | C46 | 112.1° | 109.4° |
| N48 | C47 | H472 | 108.8° | 109.4° |
| N48 | C47 | H471 | 108.8° | 109.4° |
| C47 | N48 | H482 | 109.5° | 111.0° |
| C47 | N48 | H481 | 109.5° | 111.0° |
| C47 | C46 | C45 | 103.4° | 109.4° |
| C47 | C46 | H462 | 111.0° | 109.5° |
| C47 | C46 | H461 | 111.0° | 109.5° |
| C46 | C47 | H472 | 108.8° | 109.5° |
| C46 | C47 | H471 | 108.8° | 109.5° |
| C41 | C40 | C39 | 100.3° | 109.4° |
| C41 | C40 | H401 | 111.7° | 109.5° |
| C41 | C40 | H402 | 111.7° | 109.4° |
| C40 | C41 | H411 | 108.9° | 109.5° |
| C40 | C41 | H412 | 108.9° | 109.4° |
| C46 | C45 | C44 | 115.0° | 109.5° |
| C46 | C45 | H452 | 108.1° | 109.5° |
| C46 | C45 | H451 | 108.1° | 109.5° |
| C45 | C46 | H462 | 110.9° | 109.4° |
| C45 | C46 | H461 | 111.0° | 109.5° |
| C45 | C44 | C26 | 107.9° | 109.5° |
| C45 | C44 | H441 | 109.9° | 109.5° |
| C45 | C44 | H442 | 109.9° | 109.5° |
| C44 | C45 | H452 | 108.1° | 109.5° |
| C44 | C45 | H451 | 108.1° | 109.4° |
| C37 | C36 | C34 | 118.5° | 120.1° |
| C36 | C37 | C01 | 120.4° | 119.9° |
| C37 | C36 | H361 | 120.8° | 120.0° |
| C36 | C37 | H371 | 119.8° | 120.0° |
| C36 | C34 | C33 | 118.1° | 120.1° |
| C36 | C34 | C35 | 122.4° | 119.9° |
| C34 | C36 | H361 | 120.8° | 120.0° |
| C34 | C33 | C32 | 113.3° | 109.4° |
| C33 | C34 | C35 | 119.5° | 120.0° |
| C34 | C33 | H332 | 108.5° | 109.5° |
| C34 | C33 | H331 | 108.5° | 109.5° |
| C33 | C32 | N31 | 114.0° | 118.8° |
| C33 | C32 | O38 | 124.5° | 120.7° |
| C32 | C33 | H332 | 108.5° | 109.5° |
| C32 | C33 | H331 | 108.5° | 109.4° |
| C37 | C01 | C02 | 121.1° | 120.0° |
| C37 | C01 | H011 | 119.4° | 120.0° |
| C01 | C37 | H371 | 119.8° | 120.0° |
| C40 | C39 | C30 | 106.4° | 109.4° |
| C40 | C39 | H391 | 110.3° | 109.5° |
| C40 | C39 | H392 | 110.2° | 109.5° |
| C39 | C40 | H401 | 111.7° | 109.5° |
| C39 | C40 | H402 | 111.7° | 109.5° |
| C34 | C35 | C02 | 118.0° | 120.0° |
| C34 | C35 | H351 | 121.0° | 120.0° |
| C01 | C02 | C35 | 119.5° | 120.0° |
| C01 | C02 | C03 | 119.9° | 120.0° |
| C02 | C01 | H011 | 119.5° | 120.0° |
| C44 | C26 | N27 | 112.6° | 109.7° |
| C44 | C26 | C24 | 109.0° | 109.5° |
| C44 | C26 | H261 | 109.1° | 109.6° |
| C26 | C44 | H441 | 109.9° | 109.5° |
| C26 | C44 | H442 | 109.8° | 109.4° |
| C35 | C02 | C03 | 120.6° | 120.0° |
| C02 | C35 | H351 | 121.0° | 120.0° |
| C32 | N31 | C30 | 119.4° | 115.3° |
| N31 | C32 | O38 | 121.5° | 120.6° |
| C32 | N31 | H311 | 120.3° | 122.3° |
| N31 | C30 | C39 | 112.7° | 109.7° |
| N31 | C30 | C28 | 113.7° | 108.7° |
| N31 | C30 | H1 | 105.0° | 109.6° |
| C30 | N31 | H311 | 120.3° | 122.3° |
| C02 | C03 | N04 | 108.2° | 108.7° |
| C02 | C03 | H031 | 109.8° | 109.6° |
| C02 | C03 | H032 | 109.8° | 109.6° |
| C03 | N04 | C05 | 119.7° | 116.4° |
| N04 | C03 | H031 | 109.8° | 109.6° |
| N04 | C03 | H032 | 109.8° | 109.6° |
| C03 | N04 | H041 | 120.2° | 121.8° |
| C39 | C30 | C28 | 115.4° | 109.6° |
| C39 | C30 | H1 | 104.4° | 109.6° |
| C30 | C39 | H391 | 110.2° | 109.5° |
| C30 | C39 | H392 | 110.2° | 109.4° |
| C26 | N27 | C28 | 123.1° | 116.6° |
| N27 | C26 | C24 | 105.9° | 108.9° |
| N27 | C26 | H261 | 110.5° | 109.6° |
| C26 | N27 | H271 | 118.5° | 121.7° |
| N27 | C28 | C30 | 116.3° | 118.9° |
| N27 | C28 | O29 | 121.5° | 120.5° |
| C28 | N27 | H271 | 118.5° | 121.7° |
| C30 | C28 | O29 | 122.2° | 120.5° |
| C28 | C30 | H1 | 104.3° | 109.6° |
| C26 | C24 | O25 | 126.8° | 120.6° |
| C26 | C24 | N23 | 115.5° | 118.6° |
| C24 | C26 | H261 | 109.8° | 109.6° |
| O06 | C05 | N04 | 122.5° | 120.4° |
| O06 | C05 | C07 | 124.3° | 120.4° |
| O25 | C24 | N23 | 117.6° | 120.7° |
| N04 | C05 | C07 | 113.2° | 119.2° |
| C05 | N04 | H041 | 120.2° | 121.8° |
| C24 | N23 | C22 | 120.4° | 115.4° |
| C24 | N23 | H231 | 119.8° | 122.3° |
| C05 | C07 | N11 | 110.7° | 108.6° |
| C05 | C07 | C08 | 110.7° | 109.6° |
| C05 | C07 | H071 | 107.5° | 109.6° |
| O13 | C12 | C14 | 123.3° | 120.6° |
| O13 | C12 | N11 | 117.6° | 120.7° |
| N17 | C16 | N15 | 123.7° | 120.0° |
| N17 | C16 | N18 | 124.2° | 120.0° |
| C16 | N17 | H2 | 120.0° | 120.0° |
| C16 | N17 | H171 | 120.0° | 120.0° |
| C14 | C12 | N11 | 119.1° | 118.7° |
| C12 | C14 | N15 | 107.5° | 109.5° |
| C12 | C14 | C19 | 110.0° | 109.6° |
| C12 | C14 | H141 | 110.5° | 109.5° |
| C12 | N11 | C07 | 120.3° | 115.3° |
| C12 | N11 | H111 | 119.8° | 122.4° |
| N23 | C22 | C21 | 108.6° | 108.6° |
| N23 | C22 | H222 | 109.7° | 109.6° |
| N23 | C22 | H221 | 109.7° | 109.8° |
| C22 | N23 | H231 | 119.8° | 122.3° |
| N11 | C07 | C08 | 111.7° | 109.6° |
| N11 | C07 | H071 | 108.4° | 109.6° |
| C07 | N11 | H111 | 119.8° | 122.3° |
| C07 | C08 | C09 | 111.2° | 109.5° |
| C07 | C08 | C10 | 111.9° | 109.5° |
| C08 | C07 | H071 | 107.6° | 109.8° |
| C07 | C08 | H081 | 109.8° | 109.5° |
| N15 | C14 | C19 | 105.4° | 109.5° |
| C14 | N15 | C16 | 118.5° | 120.0° |
| N15 | C14 | H141 | 112.1° | 109.4° |
| C14 | N15 | H151 | 120.8° | 120.0° |
| C14 | C19 | C20 | 108.1° | 109.4° |
| C19 | C14 | H141 | 111.2° | 109.4° |
| C14 | C19 | H192 | 109.8° | 109.5° |
| C14 | C19 | H191 | 109.8° | 109.5° |
| N15 | C16 | N18 | 112.1° | 120.0° |
| C16 | N15 | H151 | 120.8° | 120.0° |
| C16 | N18 | H181 | 112.0° | 120.1° |
| C19 | C20 | C21 | 106.7° | 109.5° |
| C19 | C20 | H202 | 110.2° | 109.4° |
| C19 | C20 | H201 | 110.2° | 109.5° |
| C20 | C19 | H192 | 109.8° | 109.5° |
| C20 | C19 | H191 | 109.8° | 109.5° |
| C20 | C21 | C22 | 109.6° | 109.5° |
| C21 | C20 | H202 | 110.2° | 109.5° |
| C21 | C20 | H201 | 110.2° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C22 | C21 | H211 | 109.5° | 109.5° |
| C22 | C21 | H212 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.7° | 109.6° |
| C21 | C22 | H221 | 109.7° | 109.6° |
| C09 | C08 | C10 | 104.5° | 109.4° |
| C09 | C08 | H081 | 109.8° | 109.5° |
| C08 | C09 | H093 | 109.5° | 109.5° |
| C08 | C09 | H091 | 109.5° | 109.5° |
| C08 | C09 | H092 | 109.5° | 109.5° |
| C08 | C10 | H101 | 109.5° | 109.4° |
| C08 | C10 | H103 | 109.5° | 109.5° |
| C08 | C10 | H102 | 109.5° | 109.4° |
| C10 | C08 | H081 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.6° |
| H031 | C03 | H032 | 109.5° | 109.8° |
| H093 | C09 | H091 | 109.5° | 109.5° |
| H093 | C09 | H092 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.4° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H452 | C45 | H451 | 109.4° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.5° |
| H2 | N17 | H171 | 120.0° | 120.0° |
| H432 | N43 | H3 | 109.4° | 111.0° |
| H482 | N48 | H481 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N43 | C42 | C41 | H422 | 120.0° | 119.9° |
| N43 | C42 | C41 | H421 | 119.9° | 120.0° |
| N43 | C42 | C41 | C40 | 176.7° | 180.0° |
| N43 | C42 | C41 | H411 | 56.3° | 60.0° |
| N43 | C42 | C41 | H412 | 62.9° | 60.0° |
| N43 | C42 | H422 | H421 | 120.2° | 120.0° |
| C42 | N43 | H432 | H3 | 120.0° | 124.0° |
| C42 | C41 | C40 | H411 | 120.3° | 120.0° |
| C42 | C41 | C40 | H412 | 120.4° | 119.9° |
| C42 | C41 | C40 | C39 | 161.5° | 180.0° |
| C42 | C41 | C40 | H401 | 43.1° | 60.0° |
| C42 | C41 | C40 | H402 | 80.0° | 60.1° |
| C42 | C41 | H411 | H412 | 118.9° | 120.0° |
| C41 | C42 | H422 | H421 | 120.2° | 120.1° |
| C41 | C42 | N43 | H432 | 180.0° | 56.0° |
| C41 | C42 | N43 | H3 | 60.0° | 180.0° |
| N48 | C47 | C46 | H472 | 120.4° | 120.0° |
| N48 | C47 | C46 | H471 | 120.4° | 120.0° |
| N48 | C47 | C46 | C45 | 167.6° | 180.0° |
| N48 | C47 | C46 | H462 | 73.4° | 60.1° |
| N48 | C47 | C46 | H461 | 48.6° | 60.0° |
| N48 | C47 | H472 | H471 | 118.8° | 119.9° |
| C47 | N48 | H482 | H481 | 120.0° | 124.0° |
| C47 | C46 | C45 | H462 | 119.0° | 120.0° |
| C47 | C46 | C45 | H461 | 119.0° | 120.0° |
| C47 | C46 | C45 | C44 | 178.2° | 180.0° |
| C47 | C46 | C45 | H452 | 57.3° | 60.0° |
| C47 | C46 | C45 | H451 | 61.0° | 60.0° |
| C47 | C46 | H462 | H461 | 122.8° | 120.1° |
| C46 | C47 | H472 | H471 | 118.8° | 120.1° |
| C46 | C47 | N48 | H482 | 180.0° | 180.0° |
| C46 | C47 | N48 | H481 | 60.0° | 56.1° |
| C41 | C40 | C39 | H401 | 118.5° | 120.0° |
| C41 | C40 | C39 | H402 | 118.5° | 119.9° |
| C41 | C40 | C39 | C30 | 159.1° | 174.4° |
| C41 | C40 | C39 | H391 | 39.6° | 54.5° |
| C41 | C40 | C39 | H392 | 81.4° | 65.6° |
| C41 | C40 | H401 | H402 | 124.3° | 119.9° |
| C40 | C41 | H411 | H412 | 118.9° | 120.0° |
| C40 | C41 | C42 | H422 | 63.4° | 60.0° |
| C40 | C41 | C42 | H421 | 56.8° | 60.0° |
| C46 | C45 | C44 | H452 | 120.8° | 120.0° |
| C46 | C45 | C44 | H451 | 120.8° | 120.0° |
| C46 | C45 | C44 | C26 | 69.8° | 180.0° |
| C46 | C45 | C44 | H441 | 50.0° | 60.0° |
| C46 | C45 | C44 | H442 | 170.5° | 60.0° |
| C46 | C45 | H452 | H451 | 117.5° | 120.1° |
| C45 | C46 | H462 | H461 | 122.8° | 120.0° |
| C45 | C46 | C47 | H472 | 47.2° | 60.0° |
| C45 | C46 | C47 | H471 | 72.0° | 60.0° |
| C45 | C44 | C26 | H441 | 119.8° | 120.0° |
| C45 | C44 | C26 | H442 | 119.8° | 120.0° |
| C45 | C44 | C26 | N27 | 59.6° | 65.5° |
| C45 | C44 | C26 | C24 | 176.7° | 175.0° |
| C45 | C44 | C26 | H261 | 63.4° | 54.8° |
| C45 | C44 | H441 | H442 | 120.7° | 120.0° |
| C44 | C45 | H452 | H451 | 117.5° | 119.9° |
| C44 | C45 | C46 | H462 | 62.8° | 60.0° |
| C44 | C45 | C46 | H461 | 59.1° | 60.0° |
| C37 | C36 | C34 | H361 | 180.0° | 179.9° |
| C37 | C36 | C34 | C33 | 179.7° | 180.0° |
| C36 | C37 | C01 | H371 | 180.0° | 179.9° |
| C37 | C36 | C34 | C35 | 0.0° | 0.2° |
| C36 | C37 | C01 | C02 | 3.2° | 0.0° |
| C36 | C37 | C01 | H011 | 176.8° | 180.0° |
| C36 | C34 | C33 | C35 | 179.7° | 179.8° |
| C36 | C34 | C33 | C32 | 82.5° | 90.0° |
| C34 | C36 | C37 | C01 | 0.8° | 0.1° |
| C36 | C34 | C35 | C02 | 1.4° | 0.2° |
| C36 | C34 | C33 | H332 | 38.0° | 30.0° |
| C36 | C34 | C33 | H331 | 156.9° | 150.1° |
| C36 | C34 | C35 | H351 | 178.7° | 179.8° |
| C34 | C36 | C37 | H371 | 179.2° | 180.0° |
| C34 | C33 | C32 | H332 | 120.5° | 120.0° |
| C34 | C33 | C32 | H331 | 120.6° | 119.9° |
| C33 | C34 | C35 | C02 | 178.3° | 180.0° |
| C34 | C33 | C32 | N31 | 159.0° | 161.3° |
| C34 | C33 | C32 | O38 | 24.3° | 18.8° |
| C34 | C33 | H332 | H331 | 118.3° | 120.0° |
| C33 | C34 | C35 | H351 | 1.7° | 0.0° |
| C33 | C34 | C36 | H361 | 0.3° | 0.1° |
| C32 | C33 | C34 | C35 | 97.8° | 90.3° |
| C33 | C32 | N31 | O38 | 176.7° | 179.9° |
| C33 | C32 | N31 | C30 | 178.4° | 179.8° |
| C32 | C33 | H332 | H331 | 118.3° | 120.0° |
| C33 | C32 | N31 | H311 | 1.6° | 0.1° |
| C37 | C01 | C02 | H011 | 180.0° | 179.9° |
| C37 | C01 | C02 | C35 | 4.7° | 0.0° |
| C37 | C01 | C02 | C03 | 177.7° | 179.8° |
| C01 | C37 | C36 | H361 | 179.2° | 180.0° |
| C40 | C39 | C30 | N31 | 56.8° | 176.1° |
| C40 | C39 | C30 | H391 | 119.5° | 120.0° |
| C40 | C39 | C30 | H392 | 119.5° | 120.0° |
| C40 | C39 | C30 | C28 | 76.1° | 56.7° |
| C40 | C39 | C30 | H1 | 170.1° | 63.6° |
| C40 | C39 | H391 | H392 | 121.4° | 120.1° |
| C39 | C40 | H401 | H402 | 124.3° | 120.1° |
| C39 | C40 | C41 | H411 | 78.1° | 60.0° |
| C39 | C40 | C41 | H412 | 41.1° | 60.1° |
| C34 | C35 | C02 | C01 | 3.7° | 0.1° |
| C34 | C35 | C02 | H351 | 180.0° | 180.0° |
| C34 | C35 | C02 | C03 | 178.7° | 179.7° |
| C35 | C34 | C33 | H332 | 141.7° | 149.7° |
| C35 | C34 | C33 | H331 | 22.8° | 29.7° |
| C35 | C34 | C36 | H361 | 180.0° | 179.9° |
| C01 | C02 | C35 | C03 | 177.6° | 179.9° |
| C01 | C02 | C03 | N04 | 115.6° | 107.6° |
| C01 | C02 | C03 | H031 | 124.7° | 12.2° |
| C01 | C02 | C03 | H032 | 4.2° | 132.7° |
| C01 | C02 | C35 | H351 | 176.4° | 179.9° |
| C02 | C01 | C37 | H371 | 176.8° | 179.9° |
| C44 | C26 | N27 | C24 | 119.0° | 119.8° |
| C44 | C26 | N27 | H261 | 122.2° | 120.3° |
| C44 | C26 | N27 | C28 | 133.2° | 159.7° |
| C44 | C26 | C24 | H261 | 119.4° | 120.2° |
| C44 | C26 | C24 | O25 | 45.4° | 138.4° |
| C44 | C26 | C24 | N23 | 136.1° | 41.7° |
| C26 | C44 | H441 | H442 | 120.7° | 119.9° |
| C26 | C44 | C45 | H452 | 169.4° | 60.0° |
| C26 | C44 | C45 | H451 | 51.0° | 60.0° |
| C44 | C26 | N27 | H271 | 46.8° | 20.2° |
| C35 | C02 | C03 | N04 | 62.0° | 72.3° |
| C35 | C02 | C01 | H011 | 175.3° | 180.0° |
| C35 | C02 | C03 | H031 | 57.7° | 168.0° |
| C35 | C02 | C03 | H032 | 178.2° | 47.5° |
| C32 | N31 | C30 | H311 | 180.0° | 180.0° |
| C32 | N31 | C30 | C39 | 116.6° | 7.0° |
| C32 | N31 | C30 | C28 | 109.6° | 126.9° |
| C32 | N31 | C30 | H1 | 3.7° | 113.4° |
| N31 | C32 | C33 | H332 | 38.5° | 78.7° |
| N31 | C32 | C33 | H331 | 80.4° | 41.3° |
| C30 | N31 | C32 | O38 | 1.7° | 0.2° |
| N31 | C30 | C39 | C28 | 132.9° | 119.3° |
| N31 | C30 | C39 | H1 | 113.3° | 120.3° |
| N31 | C30 | C28 | N27 | 4.1° | 171.0° |
| N31 | C30 | C28 | H1 | 113.7° | 119.7° |
| N31 | C30 | C28 | O29 | 177.0° | 9.0° |
| N31 | C30 | C39 | H391 | 62.8° | 63.9° |
| N31 | C30 | C39 | H392 | 176.3° | 56.1° |
| C02 | C03 | N04 | H031 | 119.8° | 119.7° |
| C02 | C03 | N04 | H032 | 119.8° | 119.8° |
| C02 | C03 | N04 | C05 | 125.0° | 158.5° |
| C03 | C02 | C01 | H011 | 2.3° | 0.1° |
| C02 | C03 | H031 | H032 | 120.6° | 120.4° |
| C03 | C02 | C35 | H351 | 1.3° | 0.3° |
| C02 | C03 | N04 | H041 | 55.0° | 21.4° |
| O38 | C32 | C33 | H332 | 144.9° | 101.2° |
| O38 | C32 | C33 | H331 | 96.2° | 138.7° |
| O38 | C32 | N31 | H311 | 178.3° | 179.8° |
| C03 | N04 | C05 | O06 | 1.7° | 0.7° |
| C03 | N04 | C05 | H041 | 180.0° | 179.9° |
| C03 | N04 | C05 | C07 | 177.2° | 179.1° |
| N04 | C03 | H031 | H032 | 120.6° | 120.4° |
| C39 | C30 | C28 | N27 | 136.5° | 69.0° |
| C39 | C30 | C28 | H1 | 113.8° | 120.3° |
| C39 | C30 | C28 | O29 | 44.6° | 111.0° |
| C30 | C39 | H391 | H392 | 121.4° | 119.9° |
| C30 | C39 | C40 | H401 | 82.4° | 65.6° |
| C30 | C39 | C40 | H402 | 40.7° | 54.6° |
| C39 | C30 | N31 | H311 | 63.3° | 173.0° |
| C26 | N27 | C28 | H271 | 180.0° | 179.9° |
| C26 | N27 | C28 | C30 | 178.3° | 179.8° |
| N27 | C26 | C24 | H261 | 119.3° | 119.9° |
| C26 | N27 | C28 | O29 | 0.6° | 0.2° |
| N27 | C26 | C24 | O25 | 76.0° | 18.5° |
| N27 | C26 | C24 | N23 | 102.6° | 161.6° |
| N27 | C26 | C44 | H441 | 179.3° | 54.5° |
| N27 | C26 | C44 | H442 | 60.2° | 174.5° |
| N27 | C28 | C30 | O29 | 178.8° | 180.0° |
| C28 | N27 | C26 | C24 | 107.7° | 39.9° |
| C28 | N27 | C26 | H261 | 11.1° | 80.0° |
| N27 | C28 | C30 | H1 | 109.6° | 51.3° |
| C28 | C30 | C39 | H391 | 164.3° | 176.8° |
| C28 | C30 | C39 | H392 | 43.4° | 63.2° |
| C30 | C28 | N27 | H271 | 1.7° | 0.1° |
| C28 | C30 | N31 | H311 | 70.4° | 53.1° |
| C26 | C24 | O25 | N23 | 178.5° | 179.9° |
| C26 | C24 | N23 | C22 | 179.1° | 179.7° |
| C24 | C26 | C44 | H441 | 63.5° | 64.9° |
| C24 | C26 | C44 | H442 | 57.0° | 55.0° |
| C26 | C24 | N23 | H231 | 0.9° | 0.4° |
| C24 | C26 | N27 | H271 | 72.2° | 140.0° |
| O06 | C05 | N04 | C07 | 178.9° | 179.9° |
| O06 | C05 | C07 | N11 | 141.6° | 57.3° |
| O06 | C05 | C07 | C08 | 93.9° | 62.4° |
| O06 | C05 | C07 | H071 | 23.4° | 177.0° |
| O06 | C05 | N04 | H041 | 178.3° | 179.2° |
| O29 | C28 | C30 | H1 | 69.2° | 128.7° |
| O29 | C28 | N27 | H271 | 179.5° | 179.9° |
| O25 | C24 | N23 | C22 | 0.4° | 0.2° |
| O25 | C24 | C26 | H261 | 164.8° | 101.4° |
| O25 | C24 | N23 | H231 | 179.6° | 179.7° |
| N04 | C05 | C07 | N11 | 37.3° | 122.8° |
| N04 | C05 | C07 | C08 | 87.2° | 117.4° |
| C05 | N04 | C03 | H031 | 5.2° | 81.7° |
| C05 | N04 | C03 | H032 | 115.2° | 38.8° |
| N04 | C05 | C07 | H071 | 155.5° | 3.1° |
| C24 | N23 | C22 | H231 | 180.0° | 179.9° |
| C24 | N23 | C22 | C21 | 105.2° | 145.2° |
| C24 | N23 | C22 | H222 | 134.9° | 95.0° |
| C24 | N23 | C22 | H221 | 14.6° | 25.4° |
| N23 | C24 | C26 | H261 | 16.7° | 78.6° |
| C05 | C07 | N11 | C12 | 61.6° | 161.6° |
| C05 | C07 | N11 | C08 | 123.9° | 119.8° |
| C05 | C07 | N11 | H071 | 117.7° | 119.7° |
| C05 | C07 | C08 | H071 | 117.2° | 120.4° |
| C05 | C07 | C08 | C09 | 59.5° | 180.0° |
| C05 | C07 | C08 | C10 | 176.0° | 60.0° |
| C05 | C07 | C08 | H081 | 62.2° | 60.0° |
| C07 | C05 | N04 | H041 | 2.8° | 0.9° |
| C05 | C07 | N11 | H111 | 118.5° | 18.4° |
| O13 | C12 | C14 | N11 | 179.1° | 180.0° |
| O13 | C12 | N11 | C07 | 3.5° | 0.6° |
| O13 | C12 | C14 | N15 | 158.8° | 44.7° |
| O13 | C12 | C14 | C19 | 86.9° | 75.4° |
| O13 | C12 | C14 | H141 | 36.2° | 164.6° |
| O13 | C12 | N11 | H111 | 176.6° | 179.3° |
| N17 | C16 | N15 | C14 | 5.5° | 0.1° |
| N17 | C16 | N15 | N18 | 178.6° | 179.9° |
| N17 | C16 | N15 | H151 | 174.5° | 180.0° |
| C16 | N17 | H2 | H171 | 180.0° | 180.0° |
| N17 | C16 | N18 | H181 | 178.6° | 180.0° |
| C14 | C12 | N11 | C07 | 175.7° | 179.4° |
| C12 | C14 | N15 | C19 | 117.3° | 120.2° |
| C12 | C14 | N15 | H141 | 121.6° | 119.9° |
| C12 | C14 | C19 | H141 | 122.7° | 120.0° |
| C12 | C14 | N15 | C16 | 81.1° | 84.9° |
| C12 | C14 | C19 | C20 | 61.1° | 126.8° |
| C12 | C14 | C19 | H192 | 58.7° | 6.9° |
| C12 | C14 | C19 | H191 | 179.0° | 113.2° |
| C14 | C12 | N11 | H111 | 4.3° | 0.7° |
| C12 | C14 | N15 | H151 | 98.9° | 95.0° |
| C12 | N11 | C07 | H111 | 180.0° | 180.0° |
| C12 | N11 | C07 | C08 | 174.5° | 78.7° |
| N11 | C12 | C14 | N15 | 22.1° | 135.3° |
| N11 | C12 | C14 | C19 | 92.2° | 104.6° |
| C12 | N11 | C07 | H071 | 56.2° | 41.9° |
| N11 | C12 | C14 | H141 | 144.7° | 15.4° |
| N23 | C22 | C21 | C20 | 71.3° | 152.8° |
| N23 | C22 | C21 | H222 | 119.9° | 119.7° |
| N23 | C22 | C21 | H221 | 119.8° | 119.9° |
| N23 | C22 | C21 | H211 | 168.6° | 32.8° |
| N23 | C22 | C21 | H212 | 48.7° | 87.2° |
| N23 | C22 | H222 | H221 | 120.4° | 120.5° |
| N11 | C07 | C08 | H071 | 118.9° | 120.4° |
| N11 | C07 | C08 | C09 | 64.4° | 60.9° |
| N11 | C07 | C08 | C10 | 52.1° | 179.2° |
| N11 | C07 | C08 | H081 | 173.9° | 59.1° |
| C07 | C08 | C09 | C10 | 120.9° | 120.0° |
| C07 | C08 | C09 | H081 | 121.7° | 120.0° |
| C07 | C08 | C10 | H081 | 121.9° | 120.1° |
| C07 | C08 | C10 | H101 | 180.0° | 180.0° |
| C07 | C08 | C10 | H103 | 60.0° | 60.0° |
| C07 | C08 | C10 | H102 | 60.0° | 60.1° |
| C07 | C08 | C09 | H093 | 180.0° | 59.9° |
| C07 | C08 | C09 | H091 | 60.0° | 180.0° |
| C07 | C08 | C09 | H092 | 60.0° | 60.0° |
| C08 | C07 | N11 | H111 | 5.4° | 101.4° |
| N15 | C14 | C19 | H141 | 121.7° | 119.9° |
| C14 | N15 | C16 | H151 | 180.0° | 179.9° |
| C14 | N15 | C16 | N18 | 173.1° | 180.0° |
| N15 | C14 | C19 | C20 | 176.8° | 6.8° |
| N15 | C14 | C19 | H192 | 56.9° | 113.2° |
| N15 | C14 | C19 | H191 | 63.4° | 126.7° |
| C19 | C14 | N15 | C16 | 161.6° | 154.9° |
| C14 | C19 | C20 | H192 | 119.8° | 120.0° |
| C14 | C19 | C20 | H191 | 119.8° | 120.0° |
| C14 | C19 | C20 | C21 | 173.6° | 176.6° |
| C14 | C19 | C20 | H202 | 54.0° | 56.6° |
| C14 | C19 | C20 | H201 | 66.8° | 63.4° |
| C14 | C19 | H192 | H191 | 120.6° | 120.1° |
| C19 | C14 | N15 | H151 | 18.4° | 25.2° |
| C16 | N15 | C14 | H141 | 40.5° | 35.0° |
| N15 | C16 | N17 | H2 | 178.4° | 0.0° |
| N15 | C16 | N17 | H171 | 1.6° | 180.0° |
| N15 | C16 | N18 | H181 | 0.0° | 0.1° |
| N18 | C16 | N15 | H151 | 6.9° | 0.1° |
| N18 | C16 | N17 | H2 | 0.0° | 180.0° |
| N18 | C16 | N17 | H171 | 180.0° | 0.1° |
| C19 | C20 | C21 | H202 | 119.6° | 120.0° |
| C19 | C20 | C21 | H201 | 119.6° | 120.0° |
| C19 | C20 | C21 | C22 | 171.9° | 8.2° |
| C19 | C20 | H202 | H201 | 121.3° | 120.0° |
| C19 | C20 | C21 | H211 | 68.1° | 111.8° |
| C19 | C20 | C21 | H212 | 51.9° | 128.2° |
| C20 | C19 | C14 | H141 | 61.6° | 113.1° |
| C20 | C19 | H192 | H191 | 120.6° | 120.0° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C21 | C20 | H202 | H201 | 121.3° | 120.0° |
| C20 | C21 | H211 | H212 | 119.9° | 120.0° |
| C20 | C21 | C22 | H222 | 168.8° | 87.5° |
| C20 | C21 | C22 | H221 | 48.5° | 32.9° |
| C21 | C20 | C19 | H192 | 66.6° | 63.5° |
| C21 | C20 | C19 | H191 | 53.8° | 56.6° |
| C22 | C21 | C20 | H202 | 52.3° | 111.8° |
| C22 | C21 | C20 | H201 | 68.5° | 128.2° |
| C22 | C21 | H211 | H212 | 120.0° | 120.0° |
| C21 | C22 | H222 | H221 | 120.4° | 120.4° |
| C21 | C22 | N23 | H231 | 74.8° | 34.7° |
| C09 | C08 | C10 | H081 | 117.6° | 120.0° |
| C09 | C08 | C10 | H101 | 59.5° | 60.0° |
| C09 | C08 | C10 | H103 | 60.5° | 60.0° |
| C09 | C08 | C10 | H102 | 179.5° | 180.0° |
| C09 | C08 | C07 | H071 | 176.7° | 59.6° |
| C08 | C09 | H093 | H091 | 120.0° | 120.1° |
| C08 | C09 | H093 | H092 | 120.0° | 120.0° |
| C08 | C09 | H091 | H092 | 120.0° | 120.0° |
| C08 | C10 | H101 | H103 | 120.0° | 120.0° |
| C08 | C10 | H101 | H102 | 120.0° | 119.9° |
| C08 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | C08 | C07 | H071 | 66.8° | 60.4° |
| C10 | C08 | C09 | H093 | 59.1° | 60.0° |
| C10 | C08 | C09 | H091 | 179.0° | 60.0° |
| C10 | C08 | C09 | H092 | 61.0° | 180.0° |
| H101 | C10 | H103 | H102 | 120.0° | 120.1° |
| H101 | C10 | C08 | H081 | 58.1° | 60.0° |
| H103 | C10 | C08 | H081 | 178.0° | 180.0° |
| H102 | C10 | C08 | H081 | 61.9° | 60.0° |
| H202 | C20 | C21 | H211 | 172.3° | 128.2° |
| H202 | C20 | C21 | H212 | 67.7° | 8.2° |
| H202 | C20 | C19 | H192 | 173.9° | 176.5° |
| H202 | C20 | C19 | H191 | 65.8° | 63.4° |
| H201 | C20 | C21 | H211 | 51.5° | 8.2° |
| H201 | C20 | C21 | H212 | 171.4° | 111.8° |
| H201 | C20 | C19 | H192 | 53.0° | 56.6° |
| H201 | C20 | C19 | H191 | 173.4° | 176.6° |
| H211 | C21 | C22 | H222 | 48.8° | 152.5° |
| H211 | C21 | C22 | H221 | 71.5° | 87.1° |
| H212 | C21 | C22 | H222 | 71.2° | 32.5° |
| H212 | C21 | C22 | H221 | 168.5° | 152.9° |
| H222 | C22 | N23 | H231 | 45.1° | 85.1° |
| H221 | C22 | N23 | H231 | 165.4° | 154.5° |
| H261 | C26 | C44 | H441 | 56.3° | 174.8° |
| H261 | C26 | C44 | H442 | 176.8° | 65.2° |
| H261 | C26 | N27 | H271 | 169.0° | 100.1° |
| H011 | C01 | C37 | H371 | 3.3° | 0.1° |
| H031 | C03 | N04 | H041 | 174.8° | 98.4° |
| H032 | C03 | N04 | H041 | 64.7° | 141.1° |
| H071 | C07 | C08 | H081 | 55.0° | 179.5° |
| H071 | C07 | N11 | H111 | 123.8° | 138.1° |
| H081 | C08 | C09 | H093 | 58.3° | 180.0° |
| H081 | C08 | C09 | H091 | 61.7° | 60.0° |
| H081 | C08 | C09 | H092 | 178.3° | 60.0° |
| H093 | C09 | H091 | H092 | 120.0° | 119.9° |
| H141 | C14 | C19 | H192 | 178.6° | 126.9° |
| H141 | C14 | C19 | H191 | 58.2° | 6.8° |
| H141 | C14 | N15 | H151 | 139.5° | 145.1° |
| H1 | C30 | C39 | H391 | 50.6° | 56.4° |
| H1 | C30 | C39 | H392 | 70.4° | 176.4° |
| H1 | C30 | N31 | H311 | 176.3° | 66.6° |
| H361 | C36 | C37 | H371 | 0.8° | 0.1° |
| H391 | C39 | C40 | H401 | 158.1° | 174.5° |
| H391 | C39 | C40 | H402 | 78.9° | 65.4° |
| H392 | C39 | C40 | H401 | 37.1° | 54.4° |
| H392 | C39 | C40 | H402 | 160.2° | 174.5° |
| H401 | C40 | C41 | H411 | 163.4° | 180.0° |
| H401 | C40 | C41 | H412 | 77.3° | 60.0° |
| H402 | C40 | C41 | H411 | 40.4° | 60.0° |
| H402 | C40 | C41 | H412 | 159.6° | 180.0° |
| H411 | C41 | C42 | H422 | 176.3° | 180.0° |
| H411 | C41 | C42 | H421 | 63.6° | 60.0° |
| H412 | C41 | C42 | H422 | 57.0° | 59.9° |
| H412 | C41 | C42 | H421 | 177.2° | 180.0° |
| H422 | C42 | N43 | H432 | 60.0° | 63.9° |
| H422 | C42 | N43 | H3 | 60.0° | 60.0° |
| H421 | C42 | N43 | H432 | 60.1° | 176.0° |
| H421 | C42 | N43 | H3 | 179.9° | 60.0° |
| H441 | C44 | C45 | H452 | 70.9° | 180.0° |
| H441 | C44 | C45 | H451 | 170.8° | 60.0° |
| H442 | C44 | C45 | H452 | 49.6° | 60.0° |
| H442 | C44 | C45 | H451 | 68.7° | 179.9° |
| H452 | C45 | C46 | H462 | 176.4° | 180.0° |
| H452 | C45 | C46 | H461 | 61.7° | 60.0° |
| H451 | C45 | C46 | H462 | 58.0° | 60.0° |
| H451 | C45 | C46 | H461 | 180.0° | 180.0° |
| H462 | C46 | C47 | H472 | 166.2° | 180.0° |
| H462 | C46 | C47 | H471 | 47.0° | 59.9° |
| H461 | C46 | C47 | H472 | 71.8° | 59.9° |
| H461 | C46 | C47 | H471 | 169.0° | 180.0° |
| H472 | C47 | N48 | H482 | 59.6° | 60.0° |
| H472 | C47 | N48 | H481 | 60.4° | 176.1° |
| H471 | C47 | N48 | H482 | 59.6° | 60.0° |
| H471 | C47 | N48 | H481 | 179.6° | 64.0° |
