ZJP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C53 | C52 | sing | 1.55Å | 1.36Å | |
C53 | C54 | sing | 1.55Å | 1.58Å | |
C52 | C51 | sing | 1.54Å | 1.68Å | |
C54 | C50 | sing | 1.54Å | 1.62Å | |
C14 | C13 | sing | 1.53Å | 1.50Å | |
C14 | C11 | sing | 1.53Å | 1.53Å | |
C51 | C50 | sing | 1.54Å | 1.32Å | |
C32 | C25 | sing | 1.51Å | 1.54Å | |
C50 | O20 | sing | 1.45Å | 1.45Å | |
O20 | C19 | sing | 1.35Å | 1.40Å | |
N30 | C25 | doub | 1.31Å | 1.45Å | Aromatic |
N30 | C28 | sing | 1.34Å | 1.47Å | Aromatic |
C13 | C11 | sing | 1.53Å | 1.52Å | |
C13 | C46 | sing | 1.51Å | 1.56Å | |
C11 | N10 | sing | 1.48Å | 1.47Å | |
C11 | C12 | sing | 1.50Å | 1.53Å | |
N10 | C04 | sing | 1.36Å | 1.48Å | |
C25 | C24 | sing | 1.40Å | 1.55Å | Aromatic |
C46 | C47 | doub | 1.31Å | 1.36Å | |
C31 | C28 | sing | 1.41Å | 1.56Å | Aromatic |
C31 | C34 | doub | 1.36Å | 1.53Å | Aromatic |
O38 | C12 | doub | 1.21Å | 1.19Å | |
O16 | C08 | doub | 1.21Å | 1.18Å | |
C12 | N37 | sing | 1.35Å | 1.45Å | |
C19 | N17 | sing | 1.35Å | 1.46Å | |
C19 | O21 | doub | 1.22Å | 1.20Å | |
C28 | C27 | doub | 1.42Å | 1.51Å | Aromatic |
C47 | C48 | sing | 1.51Å | 1.56Å | |
N17 | C15 | sing | 1.47Å | 1.44Å | |
O41 | S39 | doub | 1.42Å | 1.47Å | |
C04 | C01 | sing | 1.51Å | 1.49Å | |
C04 | O09 | doub | 1.21Å | 1.19Å | |
C34 | C33 | sing | 1.40Å | 1.53Å | Aromatic |
C08 | N03 | sing | 1.35Å | 1.49Å | |
C08 | C15 | sing | 1.51Å | 1.54Å | |
C24 | O07 | sing | 1.36Å | 1.39Å | |
C24 | N26 | doub | 1.32Å | 1.44Å | Aromatic |
C01 | N03 | sing | 1.47Å | 1.41Å | |
C01 | C02 | sing | 1.53Å | 1.66Å | |
N37 | S39 | sing | 1.66Å | 1.69Å | |
O07 | C05 | sing | 1.43Å | 1.46Å | |
C48 | C49 | sing | 1.53Å | 1.55Å | |
N03 | C06 | sing | 1.47Å | 1.61Å | |
C27 | N26 | sing | 1.34Å | 1.46Å | Aromatic |
C27 | C29 | sing | 1.40Å | 1.54Å | Aromatic |
C15 | C18 | sing | 1.53Å | 1.54Å | |
S39 | O40 | doub | 1.42Å | 1.46Å | |
S39 | C42 | sing | 1.81Å | 1.83Å | |
C18 | C22 | sing | 1.53Å | 1.56Å | |
C33 | C29 | doub | 1.37Å | 1.53Å | Aromatic |
C33 | O35 | sing | 1.36Å | 1.41Å | |
C02 | C05 | sing | 1.54Å | 1.32Å | |
C44 | C42 | sing | 1.53Å | 1.53Å | |
C44 | C43 | sing | 1.53Å | 1.54Å | |
C05 | C06 | sing | 1.53Å | 1.61Å | |
C49 | C23 | sing | 1.53Å | 1.56Å | |
C42 | C43 | sing | 1.53Å | 1.53Å | |
C42 | C45 | sing | 1.53Å | 1.55Å | |
O35 | C36 | sing | 1.43Å | 1.41Å | |
C22 | C23 | sing | 1.53Å | 1.56Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H061 | 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 | |
C29 | H291 | sing | 1.08Å | 1.08Å | |
C31 | H311 | sing | 1.08Å | 1.08Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C32 | H322 | sing | 1.09Å | 1.10Å | |
C32 | H323 | sing | 1.09Å | 1.10Å | |
C34 | H341 | sing | 1.08Å | 1.08Å | |
C36 | H363 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C44 | H442 | sing | 1.09Å | 1.10Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C45 | H451 | sing | 1.09Å | 1.10Å | |
C45 | H452 | sing | 1.09Å | 1.10Å | |
C45 | H453 | sing | 1.09Å | 1.10Å | |
C46 | H461 | sing | 1.08Å | 1.08Å | |
C47 | H471 | sing | 1.08Å | 1.08Å | |
C48 | H481 | sing | 1.09Å | 1.10Å | |
C48 | H482 | sing | 1.09Å | 1.10Å | |
C49 | H492 | sing | 1.09Å | 1.10Å | |
C49 | H491 | sing | 1.09Å | 1.10Å | |
C50 | H501 | sing | 1.09Å | 1.10Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
C52 | H521 | sing | 1.09Å | 1.10Å | |
C52 | H522 | sing | 1.09Å | 1.10Å | |
C53 | H531 | sing | 1.09Å | 1.10Å | |
C53 | H532 | sing | 1.09Å | 1.10Å | |
C54 | H541 | sing | 1.09Å | 1.10Å | |
C54 | H542 | sing | 1.09Å | 1.10Å | |
N10 | H101 | sing | 0.97Å | 1.00Å | |
N17 | H171 | sing | 0.97Å | 1.00Å | |
N37 | H371 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C52 | C53 | C54 | 104.6° | 102.8° |
C53 | C52 | C51 | 106.8° | 104.2° |
C53 | C52 | H521 | 110.1° | 110.5° |
C53 | C52 | H522 | 110.2° | 110.6° |
C52 | C53 | H531 | 110.7° | 110.7° |
C52 | C53 | H532 | 110.7° | 110.8° |
C53 | C54 | C50 | 99.8° | 104.2° |
C54 | C53 | H531 | 110.7° | 110.7° |
C54 | C53 | H532 | 110.7° | 110.8° |
C53 | C54 | H541 | 111.8° | 110.5° |
C53 | C54 | H542 | 111.8° | 110.5° |
C52 | C51 | C50 | 106.4° | 106.6° |
C52 | C51 | H511 | 110.2° | 110.1° |
C52 | C51 | H512 | 110.2° | 110.0° |
C51 | C52 | H521 | 110.1° | 110.5° |
C51 | C52 | H522 | 110.1° | 110.5° |
C54 | C50 | C51 | 105.1° | 106.6° |
C54 | C50 | O20 | 106.0° | 110.0° |
C54 | C50 | H501 | 109.5° | 110.0° |
C50 | C54 | H541 | 111.8° | 110.4° |
C50 | C54 | H542 | 111.8° | 110.5° |
C13 | C14 | C11 | 60.0° | 60.1° |
C14 | C13 | C11 | 61.2° | 59.9° |
C14 | C13 | C46 | 118.5° | 118.4° |
C14 | C13 | H131 | 110.7° | 117.3° |
C13 | C14 | H141 | 120.0° | 117.5° |
C13 | C14 | H142 | 120.0° | 117.5° |
C14 | C11 | C13 | 58.8° | 60.0° |
C14 | C11 | N10 | 115.1° | 118.1° |
C14 | C11 | C12 | 108.0° | 118.0° |
C11 | C14 | H141 | 120.0° | 117.5° |
C11 | C14 | H142 | 120.0° | 117.5° |
C51 | C50 | O20 | 109.5° | 110.0° |
C51 | C50 | H501 | 114.2° | 110.0° |
C50 | C51 | H511 | 110.2° | 110.0° |
C50 | C51 | H512 | 110.2° | 110.0° |
C32 | C25 | N30 | 119.9° | 119.7° |
C32 | C25 | C24 | 120.5° | 119.7° |
C25 | C32 | H321 | 109.5° | 109.5° |
C25 | C32 | H322 | 109.5° | 109.5° |
C25 | C32 | H323 | 109.4° | 109.5° |
C50 | O20 | C19 | 115.8° | 117.0° |
O20 | C50 | H501 | 111.9° | 110.1° |
O20 | C19 | N17 | 116.0° | 120.0° |
O20 | C19 | O21 | 121.9° | 119.9° |
C25 | N30 | C28 | 119.0° | 119.8° |
N30 | C25 | C24 | 119.6° | 120.7° |
N30 | C28 | C31 | 119.9° | 120.9° |
N30 | C28 | C27 | 120.2° | 119.7° |
C11 | C13 | C46 | 135.8° | 117.2° |
C13 | C11 | N10 | 123.3° | 116.4° |
C13 | C11 | C12 | 113.2° | 117.8° |
C11 | C13 | H131 | 110.4° | 117.3° |
C13 | C46 | C47 | 118.2° | 119.3° |
C46 | C13 | H131 | 109.9° | 115.4° |
C13 | C46 | H461 | 120.9° | 120.4° |
N10 | C11 | C12 | 120.7° | 115.4° |
C11 | N10 | C04 | 113.6° | 116.0° |
C11 | N10 | H101 | 123.2° | 122.0° |
C11 | C12 | O38 | 122.0° | 120.0° |
C11 | C12 | N37 | 118.2° | 120.0° |
N10 | C04 | C01 | 122.2° | 119.6° |
N10 | C04 | O09 | 118.3° | 120.2° |
C04 | N10 | H101 | 123.2° | 122.0° |
C25 | C24 | O07 | 120.0° | 119.7° |
C25 | C24 | N26 | 121.2° | 120.5° |
C46 | C47 | C48 | 120.0° | 119.5° |
C47 | C46 | H461 | 120.9° | 120.3° |
C46 | C47 | H471 | 120.0° | 120.1° |
C28 | C31 | C34 | 119.2° | 119.8° |
C31 | C28 | C27 | 120.0° | 119.3° |
C28 | C31 | H311 | 120.4° | 120.1° |
C31 | C34 | C33 | 120.3° | 120.9° |
C34 | C31 | H311 | 120.4° | 120.1° |
C31 | C34 | H341 | 119.8° | 119.6° |
O38 | C12 | N37 | 119.7° | 120.0° |
O16 | C08 | N03 | 120.5° | 119.8° |
O16 | C08 | C15 | 119.8° | 119.8° |
C12 | N37 | S39 | 115.4° | 120.0° |
C12 | N37 | H371 | 122.3° | 120.0° |
N17 | C19 | O21 | 122.1° | 120.0° |
C19 | N17 | C15 | 120.4° | 120.0° |
C19 | N17 | H171 | 119.8° | 120.0° |
C28 | C27 | N26 | 121.9° | 119.6° |
C28 | C27 | C29 | 121.0° | 119.5° |
C47 | C48 | C49 | 112.7° | 109.8° |
C48 | C47 | H471 | 120.0° | 120.4° |
C47 | C48 | H481 | 108.7° | 109.4° |
C47 | C48 | H482 | 108.7° | 109.4° |
N17 | C15 | C08 | 108.7° | 109.4° |
N17 | C15 | C18 | 108.6° | 109.4° |
N17 | C15 | H151 | 111.0° | 109.4° |
C15 | N17 | H171 | 119.8° | 120.0° |
O41 | S39 | N37 | 113.3° | 104.3° |
O41 | S39 | O40 | 105.5° | 121.0° |
O41 | S39 | C42 | 112.8° | 110.5° |
C01 | C04 | O09 | 119.4° | 120.2° |
C04 | C01 | N03 | 101.3° | 109.2° |
C04 | C01 | C02 | 123.2° | 109.9° |
C04 | C01 | H011 | 109.7° | 110.1° |
C34 | C33 | C29 | 120.5° | 120.8° |
C34 | C33 | O35 | 120.9° | 119.6° |
C33 | C34 | H341 | 119.8° | 119.5° |
N03 | C08 | C15 | 119.6° | 120.4° |
C08 | N03 | C01 | 128.4° | 125.0° |
C08 | N03 | C06 | 124.3° | 126.0° |
C08 | C15 | C18 | 109.4° | 109.6° |
C08 | C15 | H151 | 109.6° | 109.4° |
O07 | C24 | N26 | 118.7° | 119.7° |
C24 | O07 | C05 | 113.1° | 117.0° |
C24 | N26 | C27 | 118.0° | 119.7° |
N03 | C01 | C02 | 103.5° | 107.7° |
C01 | N03 | C06 | 107.1° | 108.9° |
N03 | C01 | H011 | 110.9° | 109.9° |
C01 | C02 | C05 | 101.2° | 106.2° |
C02 | C01 | H011 | 107.6° | 109.9° |
C01 | C02 | H022 | 111.5° | 110.1° |
C01 | C02 | H021 | 111.5° | 110.1° |
N37 | S39 | O40 | 109.5° | 104.3° |
N37 | S39 | C42 | 105.9° | 104.5° |
S39 | N37 | H371 | 122.3° | 120.0° |
O07 | C05 | C02 | 115.0° | 110.2° |
O07 | C05 | C06 | 99.1° | 110.2° |
O07 | C05 | H051 | 112.9° | 110.2° |
C48 | C49 | C23 | 116.6° | 109.5° |
C49 | C48 | H481 | 108.7° | 109.5° |
C49 | C48 | H482 | 108.7° | 109.4° |
C48 | C49 | H492 | 107.7° | 109.4° |
C48 | C49 | H491 | 107.7° | 109.5° |
N03 | C06 | C05 | 97.0° | 107.6° |
N03 | C06 | H062 | 112.5° | 109.8° |
N03 | C06 | H061 | 112.5° | 109.9° |
N26 | C27 | C29 | 117.1° | 121.0° |
C27 | C29 | C33 | 119.0° | 119.7° |
C27 | C29 | H291 | 120.5° | 120.2° |
C15 | C18 | C22 | 109.5° | 109.6° |
C18 | C15 | H151 | 109.6° | 109.5° |
C15 | C18 | H181 | 109.5° | 109.4° |
C15 | C18 | H182 | 109.5° | 109.4° |
O40 | S39 | C42 | 109.8° | 110.6° |
S39 | C42 | C44 | 114.2° | 117.5° |
S39 | C42 | C43 | 116.1° | 117.5° |
S39 | C42 | C45 | 119.0° | 115.5° |
C18 | C22 | C23 | 111.1° | 109.5° |
C18 | C22 | H222 | 109.1° | 109.5° |
C18 | C22 | H221 | 109.1° | 109.4° |
C22 | C18 | H181 | 109.5° | 109.5° |
C22 | C18 | H182 | 109.5° | 109.4° |
C29 | C33 | O35 | 118.5° | 119.6° |
C33 | C29 | H291 | 120.5° | 120.2° |
C33 | O35 | C36 | 114.6° | 117.0° |
C02 | C05 | C06 | 101.4° | 106.0° |
C05 | C02 | H022 | 111.5° | 110.2° |
C05 | C02 | H021 | 111.5° | 110.1° |
C02 | C05 | H051 | 115.6° | 110.1° |
C42 | C44 | C43 | 59.8° | 60.0° |
C44 | C42 | C43 | 60.6° | 60.0° |
C44 | C42 | C45 | 116.6° | 117.5° |
C42 | C44 | H442 | 120.1° | 117.5° |
C42 | C44 | H441 | 120.0° | 117.5° |
C44 | C43 | C42 | 59.6° | 60.0° |
C44 | C43 | H431 | 120.1° | 117.5° |
C44 | C43 | H432 | 120.1° | 117.5° |
C43 | C44 | H442 | 120.0° | 117.5° |
C43 | C44 | H441 | 120.0° | 117.5° |
C06 | C05 | H051 | 110.6° | 110.1° |
C05 | C06 | H062 | 112.5° | 109.9° |
C05 | C06 | H061 | 112.5° | 109.8° |
C49 | C23 | C22 | 115.8° | 109.5° |
C49 | C23 | H231 | 107.9° | 109.4° |
C49 | C23 | H232 | 107.8° | 109.5° |
C23 | C49 | H492 | 107.7° | 109.5° |
C23 | C49 | H491 | 107.7° | 109.5° |
C43 | C42 | C45 | 117.0° | 117.5° |
C42 | C43 | H431 | 120.1° | 117.5° |
C42 | C43 | H432 | 120.0° | 117.5° |
C42 | C45 | H451 | 109.5° | 109.5° |
C42 | C45 | H452 | 109.5° | 109.5° |
C42 | C45 | H453 | 109.5° | 109.5° |
O35 | C36 | H363 | 109.5° | 109.4° |
O35 | C36 | H362 | 109.4° | 109.5° |
O35 | C36 | H361 | 109.5° | 109.4° |
C23 | C22 | H222 | 109.1° | 109.5° |
C23 | C22 | H221 | 109.1° | 109.5° |
C22 | C23 | H231 | 107.8° | 109.4° |
C22 | C23 | H232 | 107.9° | 109.5° |
H222 | C22 | H221 | 109.5° | 109.4° |
H022 | C02 | H021 | 109.5° | 110.1° |
H062 | C06 | H061 | 109.5° | 109.8° |
H141 | C14 | H142 | 109.5° | 115.6° |
H181 | C18 | H182 | 109.5° | 109.5° |
H231 | C23 | H232 | 109.5° | 109.4° |
H321 | C32 | H322 | 109.4° | 109.5° |
H321 | C32 | H323 | 109.5° | 109.4° |
H322 | C32 | H323 | 109.5° | 109.5° |
H363 | C36 | H362 | 109.5° | 109.5° |
H363 | C36 | H361 | 109.5° | 109.5° |
H362 | C36 | H361 | 109.4° | 109.5° |
H431 | C43 | H432 | 109.5° | 115.6° |
H442 | C44 | H441 | 109.5° | 115.6° |
H451 | C45 | H452 | 109.4° | 109.4° |
H451 | C45 | H453 | 109.5° | 109.5° |
H452 | C45 | H453 | 109.5° | 109.5° |
H481 | C48 | H482 | 109.5° | 109.4° |
H492 | C49 | H491 | 109.5° | 109.4° |
H511 | C51 | H512 | 109.5° | 110.0° |
H521 | C52 | H522 | 109.5° | 110.4° |
H531 | C53 | H532 | 109.5° | 110.8° |
H541 | C54 | H542 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C52 | C53 | C54 | H531 | 119.2° | 118.3° |
C52 | C53 | C54 | H532 | 119.2° | 118.3° |
C53 | C52 | C51 | H521 | 119.6° | 118.7° |
C53 | C52 | C51 | H522 | 119.6° | 118.8° |
C52 | C53 | C54 | C50 | 38.5° | 37.9° |
C53 | C52 | C51 | C50 | 1.5° | 23.6° |
C53 | C52 | C51 | H511 | 121.0° | 95.7° |
C53 | C52 | C51 | H512 | 118.0° | 142.9° |
C53 | C52 | H521 | H522 | 121.3° | 122.7° |
C52 | C53 | H531 | H532 | 122.3° | 123.3° |
C52 | C53 | C54 | H541 | 79.9° | 80.7° |
C52 | C53 | C54 | H542 | 156.9° | 156.6° |
C54 | C53 | C52 | C51 | 24.4° | 37.9° |
C53 | C54 | C50 | H541 | 118.4° | 118.7° |
C53 | C54 | C50 | H542 | 118.4° | 118.7° |
C53 | C54 | C50 | C51 | 40.1° | 23.6° |
C53 | C54 | C50 | O20 | 75.8° | 142.8° |
C53 | C54 | C50 | H501 | 163.3° | 95.7° |
C54 | C53 | C52 | H521 | 144.0° | 156.6° |
C54 | C53 | C52 | H522 | 95.1° | 80.9° |
C54 | C53 | H531 | H532 | 122.3° | 123.4° |
C53 | C54 | H541 | H542 | 124.5° | 122.6° |
C52 | C51 | C50 | C54 | 26.0° | 0.0° |
C52 | C51 | C50 | H511 | 119.5° | 119.3° |
C52 | C51 | C50 | H512 | 119.5° | 119.3° |
C52 | C51 | C50 | O20 | 87.5° | 119.3° |
C52 | C51 | C50 | H501 | 146.0° | 119.3° |
C52 | C51 | H511 | H512 | 121.4° | 121.4° |
C51 | C52 | H521 | H522 | 121.2° | 122.6° |
C51 | C52 | C53 | H531 | 143.6° | 80.3° |
C51 | C52 | C53 | H532 | 94.8° | 156.3° |
C54 | C50 | C51 | O20 | 113.5° | 119.3° |
C54 | C50 | C51 | H501 | 120.0° | 119.3° |
C54 | C50 | O20 | H501 | 119.3° | 121.4° |
C54 | C50 | O20 | C19 | 165.0° | 92.1° |
C54 | C50 | C51 | H511 | 145.5° | 119.3° |
C54 | C50 | C51 | H512 | 93.5° | 119.3° |
C50 | C54 | C53 | H531 | 157.7° | 80.4° |
C50 | C54 | C53 | H532 | 80.8° | 156.2° |
C50 | C54 | H541 | H542 | 124.5° | 122.6° |
C13 | C14 | C11 | H141 | 109.5° | 107.5° |
C13 | C14 | C11 | H142 | 109.5° | 107.5° |
C14 | C13 | C11 | C46 | 102.5° | 108.7° |
C14 | C13 | C11 | H131 | 103.0° | 107.4° |
C14 | C13 | C46 | H131 | 128.6° | 146.6° |
C13 | C14 | C11 | N10 | 115.1° | 105.8° |
C13 | C14 | C11 | C12 | 106.7° | 107.7° |
C14 | C13 | C46 | C47 | 174.9° | 173.6° |
C13 | C14 | H141 | H142 | 144.8° | 145.6° |
C14 | C13 | C46 | H461 | 5.0° | 6.3° |
C14 | C11 | N10 | C12 | 132.5° | 147.4° |
C14 | C11 | N10 | C04 | 145.6° | 167.1° |
C14 | C11 | C12 | O38 | 27.3° | 94.3° |
C14 | C11 | C12 | N37 | 151.2° | 85.7° |
C11 | C14 | H141 | H142 | 144.7° | 145.7° |
C14 | C11 | N10 | H101 | 34.4° | 12.9° |
C51 | C50 | O20 | H501 | 127.7° | 121.4° |
C51 | C50 | O20 | C19 | 82.0° | 150.7° |
C50 | C51 | H511 | H512 | 121.4° | 121.4° |
C50 | C51 | C52 | H521 | 118.1° | 142.3° |
C50 | C51 | C52 | H522 | 121.1° | 95.2° |
C51 | C50 | C54 | H541 | 78.3° | 95.1° |
C51 | C50 | C54 | H542 | 158.5° | 142.3° |
C32 | C25 | N30 | C24 | 179.7° | 179.9° |
C32 | C25 | N30 | C28 | 179.8° | 180.0° |
C32 | C25 | C24 | O07 | 0.4° | 0.1° |
C32 | C25 | C24 | N26 | 179.9° | 179.7° |
C25 | C32 | H321 | H322 | 120.0° | 120.0° |
C25 | C32 | H321 | H323 | 120.0° | 120.0° |
C25 | C32 | H322 | H323 | 120.0° | 120.0° |
C50 | O20 | C19 | N17 | 166.8° | 180.0° |
C50 | O20 | C19 | O21 | 12.4° | 0.0° |
O20 | C50 | C51 | H511 | 32.0° | 121.4° |
O20 | C50 | C51 | H512 | 152.9° | 0.0° |
O20 | C50 | C54 | H541 | 165.8° | 24.2° |
O20 | C50 | C54 | H542 | 42.6° | 98.5° |
O20 | C19 | N17 | O21 | 179.3° | 180.0° |
O20 | C19 | N17 | C15 | 171.5° | 175.1° |
C19 | O20 | C50 | H501 | 45.7° | 29.3° |
O20 | C19 | N17 | H171 | 8.4° | 4.8° |
C25 | N30 | C28 | C31 | 179.9° | 180.0° |
C25 | N30 | C28 | C27 | 0.2° | 0.2° |
N30 | C25 | C24 | O07 | 179.9° | 180.0° |
N30 | C25 | C24 | N26 | 0.2° | 0.4° |
N30 | C25 | C32 | H321 | 0.0° | 90.1° |
N30 | C25 | C32 | H322 | 120.0° | 30.0° |
N30 | C25 | C32 | H323 | 120.0° | 150.0° |
C28 | N30 | C25 | C24 | 0.1° | 0.1° |
N30 | C28 | C31 | C27 | 179.8° | 179.9° |
N30 | C28 | C31 | C34 | 179.8° | 179.8° |
N30 | C28 | C27 | N26 | 0.4° | 0.1° |
N30 | C28 | C27 | C29 | 180.0° | 179.8° |
N30 | C28 | C31 | H311 | 0.2° | 0.2° |
C11 | C13 | C46 | H131 | 154.6° | 144.6° |
C13 | C11 | N10 | C12 | 159.6° | 144.2° |
C13 | C11 | N10 | C04 | 77.7° | 124.5° |
C11 | C13 | C46 | C47 | 108.2° | 104.8° |
C13 | C11 | C12 | O38 | 35.8° | 25.4° |
C13 | C11 | C12 | N37 | 145.8° | 154.6° |
C11 | C13 | C46 | H461 | 71.8° | 75.0° |
C13 | C11 | N10 | H101 | 102.2° | 55.5° |
C46 | C13 | C11 | N10 | 156.2° | 142.6° |
C46 | C13 | C11 | C12 | 4.8° | 0.7° |
C13 | C46 | C47 | H461 | 180.0° | 179.9° |
C13 | C46 | C47 | C48 | 0.7° | 0.1° |
C46 | C13 | C14 | H141 | 19.7° | 0.8° |
C46 | C13 | C14 | H142 | 121.3° | 145.8° |
C13 | C46 | C47 | H471 | 179.3° | 179.8° |
C11 | N10 | C04 | H101 | 180.0° | 179.9° |
N10 | C11 | C12 | O38 | 162.7° | 118.3° |
N10 | C11 | C12 | N37 | 15.8° | 61.7° |
C11 | N10 | C04 | C01 | 173.6° | 171.8° |
C11 | N10 | C04 | O09 | 1.9° | 8.2° |
N10 | C11 | C13 | H131 | 1.7° | 1.4° |
N10 | C11 | C14 | H141 | 135.4° | 146.7° |
N10 | C11 | C14 | H142 | 5.6° | 1.7° |
C12 | C11 | N10 | C04 | 81.9° | 19.7° |
C11 | C12 | O38 | N37 | 178.4° | 180.0° |
C11 | C12 | N37 | S39 | 178.8° | 174.6° |
C12 | C11 | C13 | H131 | 159.3° | 144.7° |
C12 | C11 | C14 | H141 | 2.8° | 0.2° |
C12 | C11 | C14 | H142 | 143.8° | 144.8° |
C12 | C11 | N10 | H101 | 98.1° | 160.3° |
C11 | C12 | N37 | H371 | 1.2° | 5.4° |
N10 | C04 | C01 | O09 | 175.4° | 180.0° |
N10 | C04 | C01 | N03 | 125.0° | 124.6° |
N10 | C04 | C01 | C02 | 120.5° | 117.4° |
N10 | C04 | C01 | H011 | 7.7° | 3.9° |
C25 | C24 | O07 | N26 | 179.7° | 179.7° |
C25 | C24 | O07 | C05 | 169.4° | 179.7° |
C25 | C24 | N26 | C27 | 0.0° | 0.4° |
C24 | C25 | C32 | H321 | 179.7° | 90.0° |
C24 | C25 | C32 | H322 | 59.8° | 149.9° |
C24 | C25 | C32 | H323 | 60.3° | 29.9° |
C46 | C47 | C48 | H471 | 180.0° | 179.9° |
C46 | C47 | C48 | C49 | 167.9° | 171.8° |
C47 | C46 | C13 | H131 | 46.4° | 39.8° |
C46 | C47 | C48 | H481 | 47.4° | 51.7° |
C46 | C47 | C48 | H482 | 71.6° | 68.2° |
C28 | C31 | C34 | H311 | 180.0° | 180.0° |
C28 | C31 | C34 | C33 | 0.2° | 0.0° |
C31 | C28 | C27 | N26 | 179.8° | 180.0° |
C31 | C28 | C27 | C29 | 0.2° | 0.1° |
C28 | C31 | C34 | H341 | 179.8° | 180.0° |
C34 | C31 | C28 | C27 | 0.1° | 0.1° |
C31 | C34 | C33 | H341 | 180.0° | 180.0° |
C31 | C34 | C33 | C29 | 0.3° | 0.0° |
C31 | C34 | C33 | O35 | 179.8° | 180.0° |
O38 | C12 | N37 | S39 | 2.7° | 5.4° |
O38 | C12 | N37 | H371 | 177.3° | 174.6° |
O16 | C08 | C15 | N17 | 57.9° | 128.6° |
O16 | C08 | N03 | C15 | 179.9° | 180.0° |
O16 | C08 | N03 | C01 | 3.5° | 1.4° |
O16 | C08 | N03 | C06 | 178.4° | 178.7° |
O16 | C08 | C15 | C18 | 60.6° | 8.6° |
O16 | C08 | C15 | H151 | 179.2° | 111.5° |
C12 | N37 | S39 | O41 | 61.5° | 178.9° |
C12 | N37 | S39 | H371 | 180.0° | 180.0° |
C12 | N37 | S39 | O40 | 56.0° | 51.1° |
C12 | N37 | S39 | C42 | 174.3° | 65.0° |
C19 | N17 | C15 | H171 | 180.0° | 180.0° |
C19 | N17 | C15 | C08 | 76.3° | 154.0° |
C19 | N17 | C15 | C18 | 164.8° | 85.8° |
C19 | N17 | C15 | H151 | 44.3° | 34.1° |
O21 | C19 | N17 | C15 | 9.2° | 4.9° |
O21 | C19 | N17 | H171 | 170.8° | 175.2° |
C28 | C27 | N26 | C24 | 0.3° | 0.1° |
C28 | C27 | N26 | C29 | 179.6° | 180.0° |
C28 | C27 | C29 | C33 | 0.1° | 0.0° |
C28 | C27 | C29 | H291 | 179.8° | 179.9° |
C27 | C28 | C31 | H311 | 179.9° | 179.9° |
C47 | C48 | C49 | H481 | 120.5° | 120.1° |
C47 | C48 | C49 | H482 | 120.5° | 120.1° |
C47 | C48 | C49 | C23 | 164.4° | 166.3° |
C48 | C47 | C46 | H461 | 179.3° | 180.0° |
C47 | C48 | H481 | H482 | 118.5° | 119.8° |
C47 | C48 | C49 | H492 | 74.6° | 46.3° |
C47 | C48 | C49 | H491 | 43.4° | 73.6° |
N17 | C15 | C08 | N03 | 122.2° | 51.4° |
N17 | C15 | C08 | C18 | 118.5° | 120.0° |
N17 | C15 | C08 | H151 | 121.4° | 119.9° |
N17 | C15 | C18 | H151 | 121.4° | 119.9° |
N17 | C15 | C18 | C22 | 177.9° | 175.3° |
N17 | C15 | C18 | H181 | 62.1° | 64.7° |
N17 | C15 | C18 | H182 | 57.9° | 55.3° |
O41 | S39 | N37 | O40 | 117.5° | 127.8° |
O41 | S39 | N37 | C42 | 124.2° | 116.1° |
O41 | S39 | O40 | C42 | 121.8° | 131.5° |
O41 | S39 | C42 | C44 | 31.3° | 137.0° |
O41 | S39 | C42 | C43 | 36.4° | 68.4° |
O41 | S39 | C42 | C45 | 175.5° | 77.3° |
O41 | S39 | N37 | H371 | 118.5° | 1.1° |
C04 | C01 | N03 | C08 | 42.0° | 42.5° |
C04 | C01 | N03 | C02 | 128.5° | 119.4° |
C04 | C01 | N03 | H011 | 116.4° | 120.9° |
C04 | C01 | C02 | H011 | 129.1° | 121.4° |
C04 | C01 | N03 | C06 | 133.6° | 137.4° |
C04 | C01 | C02 | C05 | 152.4° | 128.3° |
C04 | C01 | C02 | H022 | 33.8° | 9.0° |
C04 | C01 | C02 | H021 | 88.9° | 112.5° |
C01 | C04 | N10 | H101 | 6.4° | 8.3° |
O09 | C04 | C01 | N03 | 50.4° | 55.3° |
O09 | C04 | C01 | C02 | 64.1° | 62.7° |
O09 | C04 | C01 | H011 | 167.7° | 176.1° |
O09 | C04 | N10 | H101 | 178.2° | 171.8° |
C34 | C33 | C29 | C27 | 0.1° | 0.0° |
C34 | C33 | C29 | O35 | 179.9° | 180.0° |
C34 | C33 | O35 | C36 | 176.8° | 0.0° |
C34 | C33 | C29 | H291 | 179.9° | 180.0° |
C33 | C34 | C31 | H311 | 179.8° | 180.0° |
C08 | N03 | C01 | C06 | 175.7° | 179.9° |
C08 | N03 | C01 | C02 | 170.5° | 161.9° |
N03 | C08 | C15 | C18 | 119.3° | 171.4° |
C08 | N03 | C06 | C05 | 161.3° | 160.5° |
N03 | C08 | C15 | H151 | 0.8° | 68.5° |
C08 | N03 | C01 | H011 | 74.4° | 78.4° |
C08 | N03 | C06 | H062 | 43.4° | 40.9° |
C08 | N03 | C06 | H061 | 80.7° | 80.0° |
C15 | C08 | N03 | C01 | 176.5° | 178.6° |
C15 | C08 | N03 | C06 | 1.5° | 1.3° |
C08 | C15 | C18 | H151 | 120.1° | 120.0° |
C08 | C15 | C18 | C22 | 59.4° | 55.2° |
C08 | C15 | C18 | H181 | 179.4° | 175.3° |
C08 | C15 | C18 | H182 | 60.6° | 64.7° |
C08 | C15 | N17 | H171 | 103.7° | 25.9° |
O07 | C24 | N26 | C27 | 179.7° | 180.0° |
C24 | O07 | C05 | C02 | 87.4° | 150.0° |
C24 | O07 | C05 | C06 | 165.3° | 93.4° |
C24 | O07 | C05 | H051 | 48.2° | 28.3° |
N26 | C24 | O07 | C05 | 10.9° | 0.0° |
C24 | N26 | C27 | C29 | 180.0° | 179.9° |
N03 | C01 | C02 | H011 | 117.5° | 119.7° |
N03 | C01 | C02 | C05 | 39.0° | 9.4° |
C01 | N03 | C06 | C05 | 22.8° | 19.4° |
N03 | C01 | C02 | H022 | 79.7° | 109.9° |
N03 | C01 | C02 | H021 | 157.7° | 128.6° |
C01 | N03 | C06 | H062 | 140.7° | 138.9° |
C01 | N03 | C06 | H061 | 95.1° | 100.2° |
C01 | C02 | C05 | O07 | 52.4° | 121.3° |
C02 | C01 | N03 | C06 | 5.2° | 18.0° |
C01 | C02 | C05 | H022 | 118.6° | 119.2° |
C01 | C02 | C05 | H021 | 118.6° | 119.2° |
C01 | C02 | C05 | C06 | 53.4° | 2.2° |
C01 | C02 | H022 | H021 | 123.8° | 121.6° |
C01 | C02 | C05 | H051 | 173.1° | 116.9° |
N37 | S39 | O40 | C42 | 115.9° | 111.8° |
N37 | S39 | C42 | C44 | 93.3° | 111.4° |
N37 | S39 | C42 | C43 | 161.0° | 180.0° |
N37 | S39 | C42 | C45 | 50.9° | 34.3° |
O07 | C05 | C06 | N03 | 68.5° | 132.1° |
O07 | C05 | C02 | C06 | 105.8° | 119.1° |
O07 | C05 | C02 | H051 | 134.5° | 121.7° |
O07 | C05 | C06 | H051 | 118.8° | 121.7° |
O07 | C05 | C02 | H022 | 171.1° | 119.5° |
O07 | C05 | C02 | H021 | 66.2° | 2.1° |
O07 | C05 | C06 | H062 | 49.4° | 108.4° |
O07 | C05 | C06 | H061 | 173.6° | 12.6° |
C48 | C49 | C23 | H492 | 121.0° | 120.0° |
C48 | C49 | C23 | H491 | 121.0° | 120.0° |
C48 | C49 | C23 | C22 | 8.4° | 78.1° |
C48 | C49 | C23 | H231 | 129.3° | 161.9° |
C48 | C49 | C23 | H232 | 112.5° | 41.9° |
C49 | C48 | C47 | H471 | 12.1° | 8.1° |
C49 | C48 | H481 | H482 | 118.5° | 119.9° |
C48 | C49 | H492 | H491 | 116.8° | 120.0° |
N03 | C06 | C05 | C02 | 49.5° | 13.0° |
N03 | C06 | C05 | H062 | 117.9° | 119.5° |
N03 | C06 | C05 | H061 | 117.9° | 119.6° |
C06 | N03 | C01 | H011 | 110.0° | 101.8° |
N03 | C06 | C05 | H051 | 172.7° | 106.1° |
N03 | C06 | H062 | H061 | 125.8° | 120.9° |
N26 | C27 | C29 | C33 | 179.7° | 180.0° |
N26 | C27 | C29 | H291 | 0.2° | 0.0° |
C27 | C29 | C33 | H291 | 180.0° | 180.0° |
C27 | C29 | C33 | O35 | 180.0° | 180.0° |
C15 | C18 | C22 | H181 | 120.0° | 120.0° |
C15 | C18 | C22 | H182 | 120.0° | 120.0° |
C15 | C18 | C22 | C23 | 175.5° | 144.9° |
C15 | C18 | C22 | H222 | 55.3° | 24.9° |
C15 | C18 | C22 | H221 | 64.2° | 95.1° |
C15 | C18 | H181 | H182 | 120.0° | 119.9° |
C18 | C15 | N17 | H171 | 15.2° | 94.2° |
O40 | S39 | C42 | C44 | 148.6° | 0.3° |
O40 | S39 | C42 | C43 | 80.9° | 68.4° |
O40 | S39 | C42 | C45 | 67.2° | 146.0° |
O40 | S39 | N37 | H371 | 124.0° | 128.9° |
S39 | C42 | C44 | C43 | 107.4° | 107.5° |
S39 | C42 | C44 | C45 | 145.1° | 145.0° |
S39 | C42 | C43 | C45 | 148.7° | 145.0° |
S39 | C42 | C43 | H431 | 5.0° | 145.0° |
S39 | C42 | C43 | H432 | 146.2° | 0.0° |
S39 | C42 | C44 | H442 | 2.0° | 0.0° |
S39 | C42 | C44 | H441 | 143.2° | 145.0° |
S39 | C42 | C45 | H451 | 180.0° | 154.3° |
S39 | C42 | C45 | H452 | 60.0° | 34.4° |
S39 | C42 | C45 | H453 | 60.0° | 85.7° |
C42 | S39 | N37 | H371 | 5.7° | 115.0° |
C18 | C22 | C23 | C49 | 75.7° | 163.7° |
C18 | C22 | C23 | H222 | 120.2° | 120.1° |
C18 | C22 | C23 | H221 | 120.2° | 120.0° |
C22 | C18 | C15 | H151 | 60.7° | 64.8° |
C18 | C22 | H222 | H221 | 119.3° | 120.0° |
C22 | C18 | H181 | H182 | 120.0° | 120.0° |
C18 | C22 | C23 | H231 | 45.2° | 76.3° |
C18 | C22 | C23 | H232 | 163.4° | 43.6° |
C29 | C33 | O35 | C36 | 3.1° | 180.0° |
C29 | C33 | C34 | H341 | 179.7° | 180.0° |
O35 | C33 | C29 | H291 | 0.0° | 0.1° |
O35 | C33 | C34 | H341 | 0.2° | 0.0° |
C33 | O35 | C36 | H363 | 180.0° | 180.0° |
C33 | O35 | C36 | H362 | 60.0° | 60.0° |
C33 | O35 | C36 | H361 | 60.0° | 60.0° |
C02 | C05 | C06 | H051 | 123.2° | 119.1° |
C05 | C02 | C01 | H011 | 78.5° | 110.4° |
C05 | C02 | H022 | H021 | 123.9° | 121.7° |
C02 | C05 | C06 | H062 | 167.4° | 132.5° |
C02 | C05 | C06 | H061 | 68.4° | 106.6° |
C42 | C44 | C43 | H442 | 109.4° | 107.5° |
C42 | C44 | C43 | H441 | 109.4° | 107.5° |
C44 | C42 | C43 | C45 | 106.8° | 107.5° |
C42 | C44 | C43 | H431 | 109.4° | 107.4° |
C42 | C44 | C43 | H432 | 109.4° | 107.5° |
C42 | C44 | H442 | H441 | 144.9° | 145.7° |
C44 | C42 | C45 | H451 | 36.6° | 8.6° |
C44 | C42 | C45 | H452 | 83.4° | 111.3° |
C44 | C42 | C45 | H453 | 156.6° | 128.6° |
C44 | C43 | H431 | H432 | 144.9° | 145.8° |
C43 | C44 | H442 | H441 | 144.8° | 145.7° |
C06 | C05 | C02 | H022 | 65.3° | 121.4° |
C06 | C05 | C02 | H021 | 172.0° | 117.0° |
C05 | C06 | H062 | H061 | 125.9° | 120.9° |
C49 | C23 | C22 | H231 | 121.0° | 120.0° |
C49 | C23 | C22 | H232 | 120.9° | 120.1° |
C49 | C23 | C22 | H222 | 44.5° | 43.6° |
C49 | C23 | C22 | H221 | 164.0° | 76.3° |
C49 | C23 | H231 | H232 | 117.1° | 120.0° |
C23 | C49 | C48 | H481 | 43.9° | 46.3° |
C23 | C49 | C48 | H482 | 75.1° | 73.6° |
C23 | C49 | H492 | H491 | 116.8° | 120.0° |
C42 | C43 | H431 | H432 | 144.9° | 145.6° |
C43 | C42 | C45 | H451 | 32.2° | 60.0° |
C43 | C42 | C45 | H452 | 152.2° | 180.0° |
C43 | C42 | C45 | H453 | 87.8° | 60.0° |
C45 | C42 | C43 | H431 | 143.8° | 0.0° |
C45 | C42 | C43 | H432 | 2.5° | 145.0° |
C45 | C42 | C44 | H442 | 143.1° | 145.0° |
C45 | C42 | C44 | H441 | 1.9° | 0.0° |
C42 | C45 | H451 | H452 | 120.0° | 120.0° |
C42 | C45 | H451 | H453 | 120.0° | 120.0° |
C42 | C45 | H452 | H453 | 120.0° | 120.0° |
O35 | C36 | H363 | H362 | 120.0° | 120.0° |
O35 | C36 | H363 | H361 | 120.0° | 119.9° |
O35 | C36 | H362 | H361 | 120.0° | 120.0° |
C23 | C22 | H222 | H221 | 119.3° | 119.9° |
C23 | C22 | C18 | H181 | 64.5° | 95.1° |
C23 | C22 | C18 | H182 | 55.5° | 24.9° |
C22 | C23 | H231 | H232 | 117.1° | 120.0° |
C22 | C23 | C49 | H492 | 112.6° | 41.8° |
C22 | C23 | C49 | H491 | 129.4° | 161.8° |
H131 | C13 | C14 | H141 | 147.9° | 145.2° |
H131 | C13 | C14 | H142 | 6.9° | 0.2° |
H131 | C13 | C46 | H461 | 133.6° | 140.4° |
H151 | C15 | C18 | H181 | 59.3° | 55.3° |
H151 | C15 | C18 | H182 | 179.3° | 175.2° |
H151 | C15 | N17 | H171 | 135.8° | 145.8° |
H222 | C22 | C18 | H181 | 175.3° | 144.9° |
H222 | C22 | C18 | H182 | 64.7° | 95.1° |
H222 | C22 | C23 | H231 | 165.4° | 163.6° |
H222 | C22 | C23 | H232 | 76.4° | 76.4° |
H221 | C22 | C18 | H181 | 55.8° | 24.9° |
H221 | C22 | C18 | H182 | 175.8° | 144.9° |
H221 | C22 | C23 | H231 | 75.0° | 43.7° |
H221 | C22 | C23 | H232 | 43.1° | 163.6° |
H011 | C01 | C02 | H022 | 162.9° | 130.4° |
H011 | C01 | C02 | H021 | 40.2° | 8.8° |
H022 | C02 | C05 | H051 | 54.4° | 2.3° |
H021 | C02 | C05 | H051 | 68.3° | 123.9° |
H051 | C05 | C06 | H062 | 69.4° | 13.4° |
H051 | C05 | C06 | H061 | 54.8° | 134.3° |
H231 | C23 | C49 | H492 | 8.3° | 78.1° |
H231 | C23 | C49 | H491 | 109.7° | 41.8° |
H232 | C23 | C49 | H492 | 126.5° | 161.9° |
H232 | C23 | C49 | H491 | 8.5° | 78.1° |
H311 | C31 | C34 | H341 | 0.2° | 0.0° |
H321 | C32 | H322 | H323 | 120.0° | 120.0° |
H363 | C36 | H362 | H361 | 120.0° | 120.1° |
H431 | C43 | C44 | H442 | 0.1° | 145.1° |
H431 | C43 | C44 | H441 | 141.2° | 0.0° |
H432 | C43 | C44 | H442 | 141.2° | 0.0° |
H432 | C43 | C44 | H441 | 0.0° | 145.1° |
H451 | C45 | H452 | H453 | 120.0° | 120.0° |
H461 | C46 | C47 | H471 | 0.7° | 0.1° |
H471 | C47 | C48 | H481 | 132.6° | 128.3° |
H471 | C47 | C48 | H482 | 108.4° | 111.9° |
H481 | C48 | C49 | H492 | 164.9° | 73.7° |
H481 | C48 | C49 | H491 | 77.1° | 166.3° |
H482 | C48 | C49 | H492 | 45.9° | 166.4° |
H482 | C48 | C49 | H491 | 163.9° | 46.5° |
H501 | C50 | C51 | H511 | 94.5° | 0.0° |
H501 | C50 | C51 | H512 | 26.5° | 121.4° |
H501 | C50 | C54 | H541 | 44.9° | 145.6° |
H501 | C50 | C54 | H542 | 78.3° | 23.0° |
H511 | C51 | C52 | H521 | 1.4° | 23.0° |
H511 | C51 | C52 | H522 | 119.4° | 145.5° |
H512 | C51 | C52 | H521 | 122.4° | 98.4° |
H512 | C51 | C52 | H522 | 1.6° | 24.1° |
H521 | C52 | C53 | H531 | 96.8° | 38.3° |
H521 | C52 | C53 | H532 | 24.8° | 85.1° |
H522 | C52 | C53 | H531 | 24.1° | 160.9° |
H522 | C52 | C53 | H532 | 145.6° | 37.5° |
H531 | C53 | C54 | H541 | 39.3° | 161.0° |
H531 | C53 | C54 | H542 | 83.9° | 38.3° |
H532 | C53 | C54 | H541 | 160.8° | 37.6° |
H532 | C53 | C54 | H542 | 37.6° | 85.1° |