ZK7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C46 | C45 | doub | 1.36Å | 1.36Å | |
C46 | C47 | sing | 1.55Å | 1.55Å | |
C45 | C44 | sing | 1.55Å | 1.55Å | |
C48 | C47 | sing | 1.55Å | 1.55Å | |
C48 | C50 | sing | 1.55Å | 1.55Å | |
C50 | C19 | sing | 1.55Å | 1.55Å | |
C44 | C49 | sing | 1.53Å | 1.53Å | |
C44 | C09 | sing | 1.54Å | 1.54Å | |
C49 | C09 | sing | 1.54Å | 1.54Å | |
C18 | C19 | sing | 1.56Å | 1.56Å | |
C18 | C11 | sing | 1.55Å | 1.55Å | |
O36 | C34 | doub | 1.17Å | 1.17Å | |
C09 | C34 | sing | 1.51Å | 1.51Å | |
C09 | N08 | sing | 1.47Å | 1.47Å | |
F55 | C51 | sing | 1.36Å | 1.36Å | |
N13 | C11 | sing | 1.44Å | 1.44Å | |
N13 | C14 | sing | 1.48Å | 1.48Å | |
C34 | N35 | sing | 1.43Å | 1.43Å | |
F56 | C51 | sing | 1.36Å | 1.36Å | |
O12 | C10 | doub | 1.21Å | 1.21Å | |
C11 | C10 | sing | 1.54Å | 1.54Å | |
O39 | S37 | doub | 1.47Å | 1.47Å | |
O15 | C14 | sing | 1.42Å | 1.42Å | |
O15 | C17 | sing | 1.42Å | 1.42Å | |
O07 | C06 | doub | 1.19Å | 1.19Å | |
C10 | N05 | sing | 1.54Å | 1.54Å | |
C51 | C17 | sing | 1.46Å | 1.46Å | |
C51 | F57 | sing | 1.36Å | 1.36Å | |
C14 | O16 | doub | 1.20Å | 1.20Å | |
N08 | C06 | sing | 1.49Å | 1.49Å | |
O38 | S37 | doub | 1.45Å | 1.45Å | |
N35 | S37 | sing | 1.69Å | 1.69Å | |
S37 | C40 | sing | 1.82Å | 1.82Å | |
C06 | C01 | sing | 1.57Å | 1.57Å | |
C17 | C54 | sing | 1.52Å | 1.52Å | |
C17 | C52 | sing | 1.51Å | 1.51Å | |
N05 | C01 | sing | 1.67Å | 1.67Å | |
N05 | C04 | sing | 1.34Å | 1.34Å | |
C54 | C53 | sing | 1.52Å | 1.52Å | |
C52 | C53 | sing | 1.52Å | 1.52Å | |
C01 | C02 | sing | 1.28Å | 1.28Å | |
C04 | C03 | sing | 1.54Å | 1.54Å | |
C40 | C42 | sing | 1.54Å | 1.54Å | |
C40 | C43 | sing | 1.56Å | 1.56Å | |
C40 | C41 | sing | 1.53Å | 1.53Å | |
C42 | C41 | sing | 1.53Å | 1.53Å | |
C02 | C03 | sing | 1.57Å | 1.57Å | |
C03 | O20 | sing | 1.36Å | 1.36Å | |
O20 | C21 | sing | 1.39Å | 1.39Å | |
C33 | C26 | sing | 1.55Å | 1.55Å | |
C21 | C26 | doub | 1.52Å | 1.52Å | Aromatic |
C21 | N22 | sing | 1.43Å | 1.43Å | Aromatic |
C26 | N25 | sing | 1.45Å | 1.45Å | Aromatic |
N22 | C23 | doub | 1.46Å | 1.46Å | Aromatic |
N25 | C24 | doub | 1.47Å | 1.47Å | Aromatic |
C23 | C24 | sing | 1.49Å | 1.49Å | Aromatic |
C23 | C27 | sing | 1.55Å | 1.55Å | Aromatic |
C24 | C30 | sing | 1.56Å | 1.56Å | Aromatic |
C27 | C28 | doub | 1.54Å | 1.54Å | Aromatic |
C30 | C29 | doub | 1.54Å | 1.54Å | Aromatic |
C28 | C29 | sing | 1.54Å | 1.54Å | Aromatic |
C28 | O31 | sing | 1.41Å | 1.41Å | |
C32 | O31 | sing | 1.42Å | 1.42Å | |
C01 | H011 | sing | 1.10Å | 1.10Å | |
C02 | H022 | sing | 1.10Å | 1.10Å | |
C02 | H021 | sing | 1.10Å | 1.10Å | |
C03 | H031 | sing | 1.10Å | 1.10Å | |
C04 | H042 | sing | 1.10Å | 1.10Å | |
C04 | H041 | sing | 1.10Å | 1.10Å | |
C11 | H111 | sing | 1.10Å | 1.10Å | |
C18 | H181 | sing | 1.10Å | 1.10Å | |
C18 | H182 | sing | 1.10Å | 1.10Å | |
C19 | H191 | sing | 1.10Å | 1.10Å | |
C19 | H192 | sing | 1.10Å | 1.10Å | |
C27 | H271 | sing | 1.08Å | 1.08Å | |
C29 | H291 | sing | 1.08Å | 1.08Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C32 | H322 | sing | 1.10Å | 1.10Å | |
C32 | H323 | sing | 1.10Å | 1.10Å | |
C32 | H321 | sing | 1.10Å | 1.10Å | |
C33 | H331 | sing | 1.10Å | 1.10Å | |
C33 | H332 | sing | 1.10Å | 1.10Å | |
C33 | H333 | sing | 1.10Å | 1.10Å | |
C41 | H411 | sing | 1.10Å | 1.10Å | |
C41 | H412 | sing | 1.10Å | 1.10Å | |
C42 | H421 | sing | 1.10Å | 1.10Å | |
C42 | H422 | sing | 1.10Å | 1.10Å | |
C43 | H433 | sing | 1.10Å | 1.10Å | |
C43 | H431 | sing | 1.10Å | 1.10Å | |
C43 | H432 | sing | 1.10Å | 1.10Å | |
C44 | H441 | sing | 1.10Å | 1.10Å | |
C45 | H451 | sing | 1.08Å | 1.08Å | |
C46 | H461 | sing | 1.08Å | 1.08Å | |
C47 | H471 | sing | 1.10Å | 1.10Å | |
C47 | H472 | sing | 1.10Å | 1.10Å | |
C48 | H482 | sing | 1.10Å | 1.10Å | |
C48 | H481 | sing | 1.10Å | 1.10Å | |
C49 | H491 | sing | 1.10Å | 1.10Å | |
C49 | H492 | sing | 1.10Å | 1.10Å | |
C50 | H501 | sing | 1.10Å | 1.10Å | |
C50 | H502 | sing | 1.10Å | 1.10Å | |
C52 | H522 | sing | 1.10Å | 1.10Å | |
C52 | H521 | sing | 1.10Å | 1.10Å | |
C53 | H531 | sing | 1.10Å | 1.10Å | |
C53 | H532 | sing | 1.10Å | 1.10Å | |
C54 | H542 | sing | 1.10Å | 1.10Å | |
C54 | H541 | sing | 1.10Å | 1.10Å | |
N08 | H081 | sing | 1.00Å | 1.00Å | |
N13 | H131 | sing | 1.00Å | 1.00Å | |
N35 | H351 | sing | 1.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C45 | C46 | C47 | 122.0° | 122.0° |
C46 | C45 | C44 | 122.2° | 122.2° |
C46 | C45 | H451 | 118.9° | 118.9° |
C45 | C46 | H461 | 119.0° | 119.0° |
C46 | C47 | C48 | 112.2° | 112.2° |
C47 | C46 | H461 | 119.0° | 119.0° |
C46 | C47 | H471 | 108.8° | 108.8° |
C46 | C47 | H472 | 108.8° | 108.8° |
C45 | C44 | C49 | 123.1° | 123.1° |
C45 | C44 | C09 | 132.7° | 132.7° |
C45 | C44 | H441 | 110.4° | 110.4° |
C44 | C45 | H451 | 118.9° | 118.9° |
C47 | C48 | C50 | 110.7° | 110.7° |
C48 | C47 | H471 | 108.8° | 108.8° |
C48 | C47 | H472 | 108.8° | 108.8° |
C47 | C48 | H482 | 109.2° | 109.2° |
C47 | C48 | H481 | 109.2° | 109.1° |
C48 | C50 | C19 | 113.8° | 113.8° |
C50 | C48 | H482 | 109.2° | 109.2° |
C50 | C48 | H481 | 109.2° | 109.2° |
C48 | C50 | H501 | 108.4° | 108.4° |
C48 | C50 | H502 | 108.4° | 108.4° |
C50 | C19 | C18 | 109.0° | 109.0° |
C50 | C19 | H191 | 109.6° | 109.6° |
C50 | C19 | H192 | 109.6° | 109.6° |
C19 | C50 | H501 | 108.4° | 108.4° |
C19 | C50 | H502 | 108.3° | 108.4° |
C49 | C44 | C09 | 60.0° | 60.0° |
C44 | C49 | C09 | 60.4° | 60.4° |
C49 | C44 | H441 | 110.6° | 110.6° |
C44 | C49 | H491 | 119.9° | 119.9° |
C44 | C49 | H492 | 119.9° | 119.9° |
C44 | C09 | C49 | 59.6° | 59.6° |
C44 | C09 | C34 | 113.8° | 113.8° |
C44 | C09 | N08 | 134.3° | 134.3° |
C09 | C44 | H441 | 110.5° | 110.5° |
C49 | C09 | C34 | 104.6° | 104.6° |
C49 | C09 | N08 | 127.4° | 127.4° |
C09 | C49 | H491 | 119.9° | 119.9° |
C09 | C49 | H492 | 119.9° | 119.9° |
C19 | C18 | C11 | 111.4° | 111.4° |
C19 | C18 | H181 | 109.0° | 109.0° |
C19 | C18 | H182 | 109.0° | 109.0° |
C18 | C19 | H191 | 109.6° | 109.6° |
C18 | C19 | H192 | 109.6° | 109.6° |
C18 | C11 | N13 | 106.5° | 106.5° |
C18 | C11 | C10 | 109.4° | 109.4° |
C18 | C11 | H111 | 109.6° | 109.6° |
C11 | C18 | H181 | 109.0° | 109.0° |
C11 | C18 | H182 | 109.0° | 109.0° |
O36 | C34 | C09 | 122.5° | 122.5° |
O36 | C34 | N35 | 119.2° | 119.2° |
C34 | C09 | N08 | 107.3° | 107.3° |
C09 | C34 | N35 | 117.8° | 117.8° |
C09 | N08 | C06 | 118.6° | 118.6° |
C09 | N08 | H081 | 120.7° | 120.7° |
F55 | C51 | F56 | 107.1° | 107.1° |
F55 | C51 | C17 | 112.0° | 112.0° |
F55 | C51 | F57 | 107.5° | 107.5° |
C11 | N13 | C14 | 120.0° | 120.0° |
N13 | C11 | C10 | 110.2° | 110.2° |
N13 | C11 | H111 | 111.2° | 111.2° |
C11 | N13 | H131 | 120.0° | 120.0° |
N13 | C14 | O15 | 115.1° | 115.1° |
N13 | C14 | O16 | 122.1° | 122.1° |
C14 | N13 | H131 | 120.0° | 120.0° |
C34 | N35 | S37 | 115.5° | 115.5° |
C34 | N35 | H351 | 122.2° | 122.2° |
F56 | C51 | C17 | 104.8° | 104.8° |
F56 | C51 | F57 | 115.5° | 115.5° |
O12 | C10 | C11 | 119.5° | 119.5° |
O12 | C10 | N05 | 122.4° | 122.4° |
C11 | C10 | N05 | 118.1° | 118.1° |
C10 | C11 | H111 | 109.8° | 109.8° |
O39 | S37 | O38 | 107.9° | 107.9° |
O39 | S37 | N35 | 105.5° | 105.5° |
O39 | S37 | C40 | 114.3° | 114.3° |
C14 | O15 | C17 | 121.8° | 121.8° |
O15 | C14 | O16 | 122.8° | 122.8° |
O15 | C17 | C51 | 107.8° | 107.8° |
O15 | C17 | C54 | 115.6° | 115.6° |
O15 | C17 | C52 | 115.0° | 115.0° |
O07 | C06 | N08 | 119.3° | 119.3° |
O07 | C06 | C01 | 122.3° | 122.3° |
C10 | N05 | C01 | 124.3° | 124.3° |
C10 | N05 | C04 | 126.8° | 126.8° |
C17 | C51 | F57 | 110.0° | 110.0° |
C51 | C17 | C54 | 112.7° | 112.7° |
C51 | C17 | C52 | 113.4° | 113.4° |
N08 | C06 | C01 | 118.2° | 118.2° |
C06 | N08 | H081 | 120.7° | 120.7° |
O38 | S37 | N35 | 111.6° | 111.6° |
O38 | S37 | C40 | 110.2° | 110.2° |
N35 | S37 | C40 | 107.3° | 107.3° |
S37 | N35 | H351 | 122.3° | 122.3° |
S37 | C40 | C42 | 115.7° | 115.7° |
S37 | C40 | C43 | 119.4° | 119.4° |
S37 | C40 | C41 | 115.3° | 115.3° |
C06 | C01 | N05 | 96.7° | 96.7° |
C06 | C01 | C02 | 121.0° | 121.0° |
C06 | C01 | H011 | 110.5° | 110.5° |
C54 | C17 | C52 | 91.8° | 91.8° |
C17 | C54 | C53 | 88.0° | 88.0° |
C17 | C54 | H542 | 114.5° | 114.5° |
C17 | C54 | H541 | 114.5° | 114.5° |
C17 | C52 | C53 | 87.9° | 87.9° |
C17 | C52 | H522 | 114.6° | 114.6° |
C17 | C52 | H521 | 114.5° | 114.5° |
C01 | N05 | C04 | 108.5° | 108.5° |
N05 | C01 | C02 | 101.3° | 101.3° |
N05 | C01 | H011 | 109.2° | 109.2° |
N05 | C04 | C03 | 96.7° | 96.7° |
N05 | C04 | H042 | 112.6° | 112.6° |
N05 | C04 | H041 | 112.6° | 112.6° |
C54 | C53 | C52 | 91.5° | 91.5° |
C54 | C53 | H531 | 113.8° | 113.8° |
C54 | C53 | H532 | 113.8° | 113.8° |
C53 | C54 | H542 | 114.5° | 114.5° |
C53 | C54 | H541 | 114.5° | 114.5° |
C53 | C52 | H522 | 114.5° | 114.5° |
C53 | C52 | H521 | 114.6° | 114.6° |
C52 | C53 | H531 | 113.8° | 113.8° |
C52 | C53 | H532 | 113.8° | 113.8° |
C01 | C02 | C03 | 99.7° | 99.7° |
C02 | C01 | H011 | 115.3° | 115.3° |
C01 | C02 | H022 | 111.9° | 111.9° |
C01 | C02 | H021 | 111.9° | 111.8° |
C04 | C03 | C02 | 98.5° | 98.5° |
C04 | C03 | O20 | 101.5° | 101.5° |
C04 | C03 | H031 | 110.2° | 110.2° |
C03 | C04 | H042 | 112.6° | 112.6° |
C03 | C04 | H041 | 112.6° | 112.6° |
C42 | C40 | C43 | 116.7° | 116.7° |
C42 | C40 | C41 | 59.7° | 59.7° |
C40 | C42 | C41 | 59.7° | 59.7° |
C40 | C42 | H421 | 120.1° | 120.1° |
C40 | C42 | H422 | 120.0° | 120.0° |
C43 | C40 | C41 | 116.1° | 116.1° |
C40 | C43 | H433 | 109.5° | 109.5° |
C40 | C43 | H431 | 109.5° | 109.5° |
C40 | C43 | H432 | 109.5° | 109.5° |
C40 | C41 | C42 | 60.7° | 60.7° |
C40 | C41 | H411 | 119.9° | 119.9° |
C40 | C41 | H412 | 119.9° | 119.9° |
C42 | C41 | H411 | 119.9° | 119.9° |
C42 | C41 | H412 | 119.9° | 119.9° |
C41 | C42 | H421 | 120.1° | 120.0° |
C41 | C42 | H422 | 120.1° | 120.1° |
C02 | C03 | O20 | 121.8° | 121.8° |
C03 | C02 | H022 | 111.9° | 111.9° |
C03 | C02 | H021 | 111.9° | 111.9° |
C02 | C03 | H031 | 109.8° | 109.8° |
C03 | O20 | C21 | 115.0° | 115.0° |
O20 | C03 | H031 | 113.1° | 113.1° |
O20 | C21 | C26 | 119.4° | 119.4° |
O20 | C21 | N22 | 120.7° | 120.7° |
C33 | C26 | C21 | 119.2° | 119.2° |
C33 | C26 | N25 | 121.6° | 121.6° |
C26 | C33 | H331 | 109.5° | 109.5° |
C26 | C33 | H332 | 109.5° | 109.5° |
C26 | C33 | H333 | 109.5° | 109.5° |
C26 | C21 | N22 | 119.9° | 119.9° |
C21 | C26 | N25 | 119.1° | 119.1° |
C21 | N22 | C23 | 120.4° | 120.4° |
C26 | N25 | C24 | 121.1° | 121.1° |
N22 | C23 | C24 | 121.2° | 121.2° |
N22 | C23 | C27 | 118.7° | 118.7° |
N25 | C24 | C23 | 118.2° | 118.2° |
N25 | C24 | C30 | 121.7° | 121.7° |
C24 | C23 | C27 | 120.0° | 120.0° |
C23 | C24 | C30 | 120.0° | 120.0° |
C23 | C27 | C28 | 120.8° | 120.8° |
C23 | C27 | H271 | 119.6° | 119.6° |
C24 | C30 | C29 | 120.5° | 120.5° |
C24 | C30 | H301 | 119.8° | 119.8° |
C27 | C28 | C29 | 119.0° | 119.0° |
C27 | C28 | O31 | 120.1° | 120.1° |
C28 | C27 | H271 | 119.6° | 119.6° |
C30 | C29 | C28 | 119.5° | 119.5° |
C30 | C29 | H291 | 120.3° | 120.3° |
C29 | C30 | H301 | 119.8° | 119.8° |
C29 | C28 | O31 | 120.8° | 120.8° |
C28 | C29 | H291 | 120.3° | 120.3° |
C28 | O31 | C32 | 113.8° | 113.8° |
O31 | C32 | H322 | 109.5° | 109.5° |
O31 | C32 | H323 | 109.5° | 109.4° |
O31 | C32 | H321 | 109.5° | 109.5° |
H022 | C02 | H021 | 109.4° | 109.5° |
H042 | C04 | H041 | 109.4° | 109.4° |
H181 | C18 | H182 | 109.5° | 109.5° |
H191 | C19 | H192 | 109.5° | 109.5° |
H322 | C32 | H323 | 109.4° | 109.4° |
H322 | C32 | H321 | 109.5° | 109.5° |
H323 | C32 | H321 | 109.5° | 109.5° |
H331 | C33 | H332 | 109.5° | 109.5° |
H331 | C33 | H333 | 109.5° | 109.4° |
H332 | C33 | H333 | 109.5° | 109.5° |
H411 | C41 | H412 | 109.4° | 109.4° |
H421 | C42 | H422 | 109.5° | 109.5° |
H433 | C43 | H431 | 109.5° | 109.5° |
H433 | C43 | H432 | 109.4° | 109.4° |
H431 | C43 | H432 | 109.5° | 109.5° |
H471 | C47 | H472 | 109.5° | 109.5° |
H482 | C48 | H481 | 109.4° | 109.4° |
H491 | C49 | H492 | 109.5° | 109.5° |
H501 | C50 | H502 | 109.5° | 109.5° |
H522 | C52 | H521 | 109.5° | 109.5° |
H531 | C53 | H532 | 109.5° | 109.5° |
H542 | C54 | H541 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C45 | C46 | C47 | H461 | 180.0° | 180.0° |
C46 | C45 | C44 | H451 | 180.0° | 180.0° |
C45 | C46 | C47 | C48 | 143.1° | 143.1° |
C46 | C45 | C44 | C49 | 177.5° | 177.5° |
C46 | C45 | C44 | C09 | 99.5° | 99.5° |
C46 | C45 | C44 | H441 | 48.8° | 48.8° |
C45 | C46 | C47 | H471 | 22.7° | 22.7° |
C45 | C46 | C47 | H472 | 96.5° | 96.5° |
C47 | C46 | C45 | C44 | 2.1° | 2.1° |
C46 | C47 | C48 | H471 | 120.4° | 120.4° |
C46 | C47 | C48 | H472 | 120.4° | 120.4° |
C46 | C47 | C48 | C50 | 170.4° | 170.4° |
C47 | C46 | C45 | H451 | 177.9° | 177.9° |
C46 | C47 | H471 | H472 | 118.8° | 118.8° |
C46 | C47 | C48 | H482 | 50.2° | 50.2° |
C46 | C47 | C48 | H481 | 69.4° | 69.4° |
C45 | C44 | C49 | C09 | 124.0° | 124.0° |
C45 | C44 | C49 | H441 | 133.7° | 133.7° |
C45 | C44 | C09 | H441 | 148.3° | 148.3° |
C45 | C44 | C09 | C34 | 15.6° | 15.6° |
C45 | C44 | C09 | N08 | 136.6° | 136.6° |
C44 | C45 | C46 | H461 | 177.9° | 177.9° |
C45 | C44 | C49 | H491 | 14.4° | 14.4° |
C45 | C44 | C49 | H492 | 126.5° | 126.5° |
C47 | C48 | C50 | H482 | 120.2° | 120.2° |
C47 | C48 | C50 | H481 | 120.2° | 120.2° |
C47 | C48 | C50 | C19 | 55.5° | 55.5° |
C48 | C47 | C46 | H461 | 36.9° | 36.9° |
C48 | C47 | H471 | H472 | 118.8° | 118.8° |
C47 | C48 | H482 | H481 | 119.5° | 119.4° |
C47 | C48 | C50 | H501 | 65.2° | 65.2° |
C47 | C48 | C50 | H502 | 176.1° | 176.1° |
C48 | C50 | C19 | H501 | 120.7° | 120.7° |
C48 | C50 | C19 | H502 | 120.7° | 120.6° |
C48 | C50 | C19 | C18 | 114.9° | 114.9° |
C48 | C50 | C19 | H191 | 125.1° | 125.1° |
C48 | C50 | C19 | H192 | 5.0° | 5.0° |
C50 | C48 | C47 | H471 | 69.2° | 69.2° |
C50 | C48 | C47 | H472 | 50.0° | 50.0° |
C50 | C48 | H482 | H481 | 119.4° | 119.5° |
C48 | C50 | H501 | H502 | 118.0° | 118.0° |
C50 | C19 | C18 | H191 | 119.9° | 119.9° |
C50 | C19 | C18 | H192 | 119.9° | 119.9° |
C50 | C19 | C18 | C11 | 172.0° | 172.0° |
C50 | C19 | C18 | H181 | 51.7° | 51.7° |
C50 | C19 | C18 | H182 | 67.7° | 67.7° |
C50 | C19 | H191 | H192 | 120.2° | 120.2° |
C19 | C50 | C48 | H482 | 175.7° | 175.6° |
C19 | C50 | C48 | H481 | 64.8° | 64.7° |
C19 | C50 | H501 | H502 | 118.0° | 118.0° |
C49 | C44 | C09 | H441 | 102.7° | 102.7° |
C44 | C49 | C09 | H491 | 109.6° | 109.6° |
C44 | C49 | C09 | H492 | 109.6° | 109.6° |
C49 | C44 | C09 | C34 | 93.4° | 93.4° |
C49 | C44 | C09 | N08 | 114.4° | 114.4° |
C49 | C44 | C45 | H451 | 2.5° | 2.5° |
C44 | C49 | H491 | H492 | 144.5° | 144.5° |
C44 | C09 | C34 | O36 | 36.6° | 36.6° |
C44 | C09 | C34 | N08 | 159.6° | 159.6° |
C44 | C09 | C34 | N35 | 151.9° | 151.9° |
C44 | C09 | N08 | C06 | 71.2° | 71.2° |
C09 | C44 | C45 | H451 | 80.4° | 80.4° |
C44 | C09 | N08 | H081 | 108.8° | 108.8° |
C49 | C09 | C34 | O36 | 26.3° | 26.3° |
C49 | C09 | C34 | N08 | 137.6° | 137.6° |
C49 | C09 | C34 | N35 | 145.3° | 145.3° |
C49 | C09 | N08 | C06 | 153.0° | 153.0° |
C09 | C49 | H491 | H492 | 144.6° | 144.6° |
C49 | C09 | N08 | H081 | 27.0° | 27.0° |
C19 | C18 | C11 | H181 | 120.3° | 120.3° |
C19 | C18 | C11 | H182 | 120.3° | 120.3° |
C19 | C18 | C11 | N13 | 173.5° | 173.5° |
C19 | C18 | C11 | C10 | 54.4° | 54.4° |
C19 | C18 | C11 | H111 | 66.1° | 66.0° |
C19 | C18 | H181 | H182 | 119.1° | 119.1° |
C18 | C19 | H191 | H192 | 120.2° | 120.2° |
C18 | C19 | C50 | H501 | 5.7° | 5.7° |
C18 | C19 | C50 | H502 | 124.4° | 124.4° |
C18 | C11 | N13 | C10 | 118.6° | 118.6° |
C18 | C11 | N13 | H111 | 119.4° | 119.4° |
C18 | C11 | N13 | C14 | 174.3° | 174.3° |
C18 | C11 | C10 | O12 | 63.6° | 63.6° |
C18 | C11 | C10 | H111 | 120.3° | 120.3° |
C18 | C11 | C10 | N05 | 118.7° | 118.7° |
C11 | C18 | H181 | H182 | 119.1° | 119.1° |
C11 | C18 | C19 | H191 | 68.1° | 68.1° |
C11 | C18 | C19 | H192 | 52.1° | 52.1° |
C18 | C11 | N13 | H131 | 5.7° | 5.7° |
O36 | C34 | C09 | N35 | 171.6° | 171.6° |
O36 | C34 | C09 | N08 | 163.9° | 163.9° |
O36 | C34 | N35 | S37 | 7.0° | 7.0° |
O36 | C34 | N35 | H351 | 173.0° | 173.0° |
C34 | C09 | N08 | C06 | 82.3° | 82.3° |
C09 | C34 | N35 | S37 | 178.9° | 178.9° |
C34 | C09 | C44 | H441 | 163.9° | 163.9° |
C34 | C09 | C49 | H491 | 0.2° | 0.2° |
C34 | C09 | C49 | H492 | 141.1° | 141.1° |
C34 | C09 | N08 | H081 | 97.8° | 97.7° |
C09 | C34 | N35 | H351 | 1.1° | 1.2° |
N08 | C09 | C34 | N35 | 7.7° | 7.7° |
C09 | N08 | C06 | O07 | 1.1° | 1.1° |
C09 | N08 | C06 | H081 | 180.0° | 180.0° |
C09 | N08 | C06 | C01 | 173.4° | 173.4° |
N08 | C09 | C44 | H441 | 11.7° | 11.7° |
N08 | C09 | C49 | H491 | 125.6° | 125.6° |
N08 | C09 | C49 | H492 | 15.3° | 15.3° |
F55 | C51 | F56 | C17 | 119.2° | 119.2° |
F55 | C51 | F56 | F57 | 119.7° | 119.7° |
F55 | C51 | C17 | O15 | 61.5° | 61.5° |
F55 | C51 | C17 | F57 | 119.5° | 119.5° |
F55 | C51 | C17 | C54 | 67.4° | 67.4° |
F55 | C51 | C17 | C52 | 169.9° | 169.9° |
C11 | N13 | C14 | H131 | 180.0° | 180.0° |
N13 | C11 | C10 | O12 | 53.2° | 53.2° |
N13 | C11 | C10 | H111 | 122.9° | 122.8° |
C11 | N13 | C14 | O15 | 168.3° | 168.3° |
N13 | C11 | C10 | N05 | 124.5° | 124.5° |
C11 | N13 | C14 | O16 | 9.4° | 9.4° |
N13 | C11 | C18 | H181 | 53.2° | 53.2° |
N13 | C11 | C18 | H182 | 66.2° | 66.2° |
C14 | N13 | C11 | C10 | 67.1° | 67.1° |
N13 | C14 | O15 | O16 | 177.7° | 177.7° |
N13 | C14 | O15 | C17 | 176.7° | 176.7° |
C14 | N13 | C11 | H111 | 54.9° | 54.9° |
C34 | N35 | S37 | O39 | 58.8° | 58.8° |
C34 | N35 | S37 | O38 | 58.1° | 58.1° |
C34 | N35 | S37 | H351 | 180.0° | 180.0° |
C34 | N35 | S37 | C40 | 179.0° | 179.0° |
F56 | C51 | C17 | O15 | 54.3° | 54.3° |
F56 | C51 | C17 | F57 | 124.7° | 124.7° |
F56 | C51 | C17 | C54 | 176.8° | 176.8° |
F56 | C51 | C17 | C52 | 74.3° | 74.3° |
O12 | C10 | C11 | N05 | 177.7° | 177.7° |
O12 | C10 | N05 | C01 | 6.8° | 6.8° |
O12 | C10 | N05 | C04 | 179.4° | 179.4° |
O12 | C10 | C11 | H111 | 176.1° | 176.1° |
C11 | C10 | N05 | C01 | 175.6° | 175.6° |
C11 | C10 | N05 | C04 | 3.0° | 3.0° |
C10 | C11 | C18 | H181 | 65.9° | 65.9° |
C10 | C11 | C18 | H182 | 174.7° | 174.7° |
C10 | C11 | N13 | H131 | 112.9° | 112.9° |
O39 | S37 | O38 | N35 | 115.4° | 115.4° |
O39 | S37 | O38 | C40 | 125.4° | 125.4° |
O39 | S37 | N35 | C40 | 122.2° | 122.2° |
O39 | S37 | C40 | C42 | 78.6° | 78.6° |
O39 | S37 | C40 | C43 | 68.9° | 68.9° |
O39 | S37 | C40 | C41 | 145.5° | 145.5° |
O39 | S37 | N35 | H351 | 121.2° | 121.2° |
C14 | O15 | C17 | C51 | 179.4° | 179.4° |
C14 | O15 | C17 | C54 | 53.5° | 53.5° |
C14 | O15 | C17 | C52 | 51.7° | 51.7° |
O15 | C14 | N13 | H131 | 11.7° | 11.7° |
O15 | C17 | C51 | C54 | 128.9° | 128.9° |
O15 | C17 | C51 | C52 | 128.6° | 128.6° |
O15 | C17 | C51 | F57 | 179.0° | 179.0° |
C17 | O15 | C14 | O16 | 5.7° | 5.7° |
O15 | C17 | C54 | C52 | 118.9° | 118.9° |
O15 | C17 | C54 | C53 | 125.8° | 125.8° |
O15 | C17 | C52 | C53 | 126.3° | 126.3° |
O15 | C17 | C52 | H522 | 10.2° | 10.2° |
O15 | C17 | C52 | H521 | 117.5° | 117.5° |
O15 | C17 | C54 | H542 | 118.0° | 118.0° |
O15 | C17 | C54 | H541 | 9.7° | 9.7° |
O07 | C06 | N08 | C01 | 174.4° | 174.4° |
O07 | C06 | C01 | N05 | 45.7° | 45.7° |
O07 | C06 | C01 | C02 | 61.8° | 61.8° |
O07 | C06 | C01 | H011 | 159.0° | 159.0° |
O07 | C06 | N08 | H081 | 178.9° | 178.9° |
C10 | N05 | C01 | C06 | 42.4° | 42.4° |
C10 | N05 | C01 | C04 | 173.7° | 173.7° |
C10 | N05 | C01 | C02 | 166.0° | 166.0° |
C10 | N05 | C04 | C03 | 158.2° | 158.2° |
C10 | N05 | C01 | H011 | 71.9° | 71.9° |
C10 | N05 | C04 | H042 | 40.4° | 40.4° |
C10 | N05 | C04 | H041 | 83.9° | 83.9° |
N05 | C10 | C11 | H111 | 1.7° | 1.7° |
C51 | C17 | C54 | C52 | 116.4° | 116.4° |
C51 | C17 | C54 | C53 | 109.5° | 109.5° |
C51 | C17 | C52 | C53 | 108.9° | 108.9° |
C51 | C17 | C52 | H522 | 135.0° | 135.0° |
C51 | C17 | C52 | H521 | 7.3° | 7.3° |
C51 | C17 | C54 | H542 | 6.7° | 6.7° |
C51 | C17 | C54 | H541 | 134.4° | 134.4° |
F57 | C51 | C17 | C54 | 52.2° | 52.2° |
F57 | C51 | C17 | C52 | 50.4° | 50.4° |
O16 | C14 | N13 | H131 | 170.6° | 170.6° |
N08 | C06 | C01 | N05 | 128.6° | 128.6° |
N08 | C06 | C01 | C02 | 124.0° | 124.0° |
N08 | C06 | C01 | H011 | 15.2° | 15.2° |
O38 | S37 | N35 | C40 | 120.8° | 120.8° |
O38 | S37 | C40 | C42 | 43.1° | 43.1° |
O38 | S37 | C40 | C43 | 169.4° | 169.4° |
O38 | S37 | C40 | C41 | 23.8° | 23.8° |
O38 | S37 | N35 | H351 | 121.9° | 121.9° |
N35 | S37 | C40 | C42 | 164.8° | 164.8° |
N35 | S37 | C40 | C43 | 47.6° | 47.6° |
N35 | S37 | C40 | C41 | 97.9° | 97.9° |
S37 | C40 | C42 | C43 | 148.4° | 148.4° |
S37 | C40 | C42 | C41 | 105.5° | 105.5° |
S37 | C40 | C43 | C41 | 145.3° | 145.3° |
S37 | C40 | C41 | H411 | 3.5° | 3.5° |
S37 | C40 | C41 | H412 | 144.2° | 144.2° |
S37 | C40 | C42 | H421 | 145.1° | 145.1° |
S37 | C40 | C42 | H422 | 3.8° | 3.8° |
S37 | C40 | C43 | H433 | 180.0° | 180.0° |
S37 | C40 | C43 | H431 | 60.0° | 60.0° |
S37 | C40 | C43 | H432 | 60.0° | 60.0° |
C40 | S37 | N35 | H351 | 1.0° | 1.1° |
C06 | C01 | N05 | C02 | 123.5° | 123.5° |
C06 | C01 | N05 | H011 | 114.4° | 114.4° |
C06 | C01 | N05 | C04 | 131.3° | 131.3° |
C06 | C01 | C02 | H011 | 137.3° | 137.3° |
C06 | C01 | C02 | C03 | 143.8° | 143.8° |
C06 | C01 | C02 | H022 | 25.5° | 25.5° |
C06 | C01 | C02 | H021 | 97.8° | 97.7° |
C01 | C06 | N08 | H081 | 6.6° | 6.7° |
C17 | C54 | C53 | H542 | 116.2° | 116.2° |
C17 | C54 | C53 | H541 | 116.1° | 116.1° |
C54 | C17 | C52 | C53 | 6.9° | 6.9° |
C54 | C17 | C52 | H522 | 109.3° | 109.3° |
C54 | C17 | C52 | H521 | 123.0° | 123.0° |
C17 | C54 | C53 | H531 | 110.0° | 110.0° |
C17 | C54 | C53 | H532 | 123.7° | 123.7° |
C17 | C54 | H542 | H541 | 130.2° | 130.2° |
C17 | C52 | C53 | H522 | 116.2° | 116.2° |
C17 | C52 | C53 | H521 | 116.1° | 116.1° |
C17 | C52 | H522 | H521 | 130.2° | 130.2° |
C17 | C52 | C53 | H531 | 110.0° | 110.0° |
C17 | C52 | C53 | H532 | 123.7° | 123.7° |
C52 | C17 | C54 | H542 | 123.0° | 123.0° |
C52 | C17 | C54 | H541 | 109.3° | 109.3° |
N05 | C01 | C02 | H011 | 117.7° | 117.7° |
C01 | N05 | C04 | C03 | 28.2° | 28.2° |
N05 | C01 | C02 | C03 | 38.9° | 38.9° |
N05 | C01 | C02 | H022 | 79.5° | 79.5° |
N05 | C01 | C02 | H021 | 157.3° | 157.3° |
C01 | N05 | C04 | H042 | 146.1° | 146.1° |
C01 | N05 | C04 | H041 | 89.6° | 89.6° |
C04 | N05 | C01 | C02 | 7.8° | 7.8° |
N05 | C04 | C03 | H042 | 117.9° | 117.9° |
N05 | C04 | C03 | H041 | 117.9° | 117.9° |
N05 | C04 | C03 | C02 | 50.7° | 50.7° |
N05 | C04 | C03 | O20 | 74.3° | 74.3° |
C04 | N05 | C01 | H011 | 114.3° | 114.3° |
N05 | C04 | C03 | H031 | 165.6° | 165.6° |
N05 | C04 | H042 | H041 | 126.0° | 126.0° |
C54 | C53 | C52 | H531 | 116.9° | 116.9° |
C54 | C53 | C52 | H532 | 116.8° | 116.8° |
C54 | C53 | C52 | H522 | 109.3° | 109.3° |
C54 | C53 | C52 | H521 | 123.0° | 123.0° |
C54 | C53 | H531 | H532 | 128.5° | 128.5° |
C53 | C54 | H542 | H541 | 130.2° | 130.2° |
C53 | C52 | H522 | H521 | 130.3° | 130.3° |
C52 | C53 | H531 | H532 | 128.5° | 128.5° |
C52 | C53 | C54 | H542 | 123.0° | 123.0° |
C52 | C53 | C54 | H541 | 109.3° | 109.3° |
C01 | C02 | C03 | C04 | 59.5° | 59.5° |
C01 | C02 | C03 | H022 | 118.4° | 118.4° |
C01 | C02 | C03 | H021 | 118.4° | 118.4° |
C01 | C02 | C03 | O20 | 49.8° | 49.8° |
C01 | C02 | H022 | H021 | 124.6° | 124.5° |
C01 | C02 | C03 | H031 | 174.7° | 174.7° |
C04 | C03 | C02 | O20 | 109.3° | 109.3° |
C04 | C03 | C02 | H031 | 115.2° | 115.2° |
C04 | C03 | O20 | H031 | 118.1° | 118.1° |
C04 | C03 | O20 | C21 | 168.9° | 168.9° |
C04 | C03 | C02 | H022 | 58.9° | 58.9° |
C04 | C03 | C02 | H021 | 177.9° | 177.8° |
C03 | C04 | H042 | H041 | 126.0° | 126.0° |
C42 | C40 | C43 | C41 | 67.5° | 67.5° |
C40 | C42 | C41 | H421 | 109.4° | 109.4° |
C40 | C42 | C41 | H422 | 109.4° | 109.4° |
C42 | C40 | C41 | H411 | 109.6° | 109.6° |
C42 | C40 | C41 | H412 | 109.7° | 109.7° |
C40 | C42 | H421 | H422 | 144.9° | 144.9° |
C42 | C40 | C43 | H433 | 32.8° | 32.8° |
C42 | C40 | C43 | H431 | 152.8° | 152.8° |
C42 | C40 | C43 | H432 | 87.2° | 87.2° |
C43 | C40 | C41 | H411 | 143.3° | 143.3° |
C43 | C40 | C41 | H412 | 2.6° | 2.6° |
C43 | C40 | C42 | H421 | 3.4° | 3.3° |
C43 | C40 | C42 | H422 | 144.6° | 144.6° |
C40 | C43 | H433 | H431 | 120.0° | 120.0° |
C40 | C43 | H433 | H432 | 120.0° | 120.0° |
C40 | C43 | H431 | H432 | 120.0° | 120.0° |
C40 | C41 | H411 | H412 | 144.4° | 144.4° |
C41 | C40 | C43 | H433 | 34.7° | 34.7° |
C41 | C40 | C43 | H431 | 85.3° | 85.3° |
C41 | C40 | C43 | H432 | 154.7° | 154.7° |
C42 | C41 | H411 | H412 | 144.4° | 144.4° |
C41 | C42 | H421 | H422 | 144.9° | 144.9° |
C02 | C03 | O20 | H031 | 134.2° | 134.2° |
C02 | C03 | O20 | C21 | 83.3° | 83.3° |
C03 | C02 | C01 | H011 | 78.8° | 78.8° |
C03 | C02 | H022 | H021 | 124.6° | 124.6° |
C02 | C03 | C04 | H042 | 168.6° | 168.6° |
C02 | C03 | C04 | H041 | 67.1° | 67.1° |
C03 | O20 | C21 | C26 | 158.3° | 158.3° |
C03 | O20 | C21 | N22 | 22.5° | 22.5° |
O20 | C03 | C02 | H022 | 168.2° | 168.2° |
O20 | C03 | C02 | H021 | 68.6° | 68.5° |
O20 | C03 | C04 | H042 | 43.6° | 43.6° |
O20 | C03 | C04 | H041 | 167.9° | 167.9° |
O20 | C21 | C26 | C33 | 1.4° | 1.4° |
O20 | C21 | C26 | N22 | 179.2° | 179.2° |
O20 | C21 | C26 | N25 | 179.2° | 179.2° |
O20 | C21 | N22 | C23 | 178.3° | 178.3° |
C21 | O20 | C03 | H031 | 50.9° | 50.9° |
C33 | C26 | C21 | N25 | 179.4° | 179.4° |
C33 | C26 | C21 | N22 | 177.8° | 177.8° |
C33 | C26 | N25 | C24 | 178.9° | 178.9° |
C26 | C33 | H331 | H332 | 120.0° | 120.0° |
C26 | C33 | H331 | H333 | 120.0° | 120.0° |
C26 | C33 | H332 | H333 | 120.0° | 120.0° |
C26 | C21 | N22 | C23 | 2.6° | 2.6° |
C21 | C26 | N25 | C24 | 0.5° | 0.5° |
C21 | C26 | C33 | H331 | 179.4° | 179.4° |
C21 | C26 | C33 | H332 | 60.6° | 60.6° |
C21 | C26 | C33 | H333 | 59.4° | 59.4° |
N22 | C21 | C26 | N25 | 1.6° | 1.6° |
C21 | N22 | C23 | C24 | 2.4° | 2.4° |
C21 | N22 | C23 | C27 | 179.6° | 179.6° |
C26 | N25 | C24 | C23 | 0.3° | 0.3° |
C26 | N25 | C24 | C30 | 178.5° | 178.5° |
N25 | C26 | C33 | H331 | 0.0° | 0.0° |
N25 | C26 | C33 | H332 | 120.0° | 120.0° |
N25 | C26 | C33 | H333 | 120.0° | 120.0° |
N22 | C23 | C24 | N25 | 1.2° | 1.2° |
N22 | C23 | C24 | C27 | 178.0° | 178.0° |
N22 | C23 | C24 | C30 | 179.5° | 179.5° |
N22 | C23 | C27 | C28 | 178.1° | 178.1° |
N22 | C23 | C27 | H271 | 1.9° | 1.9° |
N25 | C24 | C23 | C30 | 178.3° | 178.3° |
N25 | C24 | C23 | C27 | 179.2° | 179.2° |
N25 | C24 | C30 | C29 | 179.3° | 179.3° |
N25 | C24 | C30 | H301 | 0.7° | 0.7° |
C24 | C23 | C27 | C28 | 3.9° | 3.9° |
C23 | C24 | C30 | C29 | 2.4° | 2.4° |
C24 | C23 | C27 | H271 | 176.1° | 176.1° |
C23 | C24 | C30 | H301 | 177.6° | 177.6° |
C27 | C23 | C24 | C30 | 2.5° | 2.5° |
C23 | C27 | C28 | H271 | 180.0° | 180.0° |
C23 | C27 | C28 | C29 | 5.0° | 5.0° |
C23 | C27 | C28 | O31 | 178.9° | 178.9° |
C24 | C30 | C29 | H301 | 180.0° | 180.0° |
C24 | C30 | C29 | C28 | 3.6° | 3.6° |
C24 | C30 | C29 | H291 | 176.4° | 176.4° |
C27 | C28 | C29 | C30 | 4.9° | 4.9° |
C27 | C28 | C29 | O31 | 176.0° | 176.0° |
C27 | C28 | O31 | C32 | 13.0° | 13.0° |
C27 | C28 | C29 | H291 | 175.1° | 175.1° |
C30 | C29 | C28 | H291 | 180.0° | 180.0° |
C30 | C29 | C28 | O31 | 179.1° | 179.1° |
C29 | C28 | O31 | C32 | 171.1° | 171.1° |
C29 | C28 | C27 | H271 | 174.9° | 174.9° |
C28 | C29 | C30 | H301 | 176.4° | 176.4° |
O31 | C28 | C27 | H271 | 1.1° | 1.1° |
O31 | C28 | C29 | H291 | 0.9° | 0.9° |
C28 | O31 | C32 | H322 | 180.0° | 180.0° |
C28 | O31 | C32 | H323 | 60.0° | 60.0° |
C28 | O31 | C32 | H321 | 60.0° | 60.0° |
O31 | C32 | H322 | H323 | 120.0° | 120.0° |
O31 | C32 | H322 | H321 | 120.0° | 120.0° |
O31 | C32 | H323 | H321 | 120.0° | 120.0° |
H011 | C01 | C02 | H022 | 162.8° | 162.8° |
H011 | C01 | C02 | H021 | 39.6° | 39.6° |
H022 | C02 | C03 | H031 | 56.3° | 56.3° |
H021 | C02 | C03 | H031 | 66.9° | 67.0° |
H031 | C03 | C04 | H042 | 76.5° | 76.5° |
H031 | C03 | C04 | H041 | 47.8° | 47.8° |
H111 | C11 | C18 | H181 | 173.7° | 173.7° |
H111 | C11 | C18 | H182 | 54.3° | 54.2° |
H111 | C11 | N13 | H131 | 125.1° | 125.1° |
H181 | C18 | C19 | H191 | 171.6° | 171.6° |
H181 | C18 | C19 | H192 | 68.2° | 68.2° |
H182 | C18 | C19 | H191 | 52.2° | 52.2° |
H182 | C18 | C19 | H192 | 172.4° | 172.4° |
H191 | C19 | C50 | H501 | 114.2° | 114.2° |
H191 | C19 | C50 | H502 | 4.5° | 4.5° |
H192 | C19 | C50 | H501 | 125.7° | 125.7° |
H192 | C19 | C50 | H502 | 115.7° | 115.6° |
H291 | C29 | C30 | H301 | 3.7° | 3.7° |
H322 | C32 | H323 | H321 | 120.0° | 120.0° |
H331 | C33 | H332 | H333 | 120.0° | 120.0° |
H411 | C41 | C42 | H421 | 140.9° | 140.9° |
H411 | C41 | C42 | H422 | 0.3° | 0.3° |
H412 | C41 | C42 | H421 | 0.2° | 0.2° |
H412 | C41 | C42 | H422 | 141.0° | 141.0° |
H433 | C43 | H431 | H432 | 119.9° | 119.9° |
H441 | C44 | C45 | H451 | 131.3° | 131.3° |
H441 | C44 | C49 | H491 | 148.0° | 148.0° |
H441 | C44 | C49 | H492 | 7.2° | 7.2° |
H451 | C45 | C46 | H461 | 2.1° | 2.1° |
H461 | C46 | C47 | H471 | 157.3° | 157.3° |
H461 | C46 | C47 | H472 | 83.5° | 83.5° |
H471 | C47 | C48 | H482 | 170.6° | 170.6° |
H471 | C47 | C48 | H481 | 51.0° | 51.0° |
H472 | C47 | C48 | H482 | 70.2° | 70.2° |
H472 | C47 | C48 | H481 | 170.2° | 170.2° |
H482 | C48 | C50 | H501 | 55.0° | 55.0° |
H482 | C48 | C50 | H502 | 63.7° | 63.7° |
H481 | C48 | C50 | H501 | 174.6° | 174.6° |
H481 | C48 | C50 | H502 | 55.9° | 55.9° |
H522 | C52 | C53 | H531 | 133.9° | 133.9° |
H522 | C52 | C53 | H532 | 7.5° | 7.5° |
H521 | C52 | C53 | H531 | 6.1° | 6.1° |
H521 | C52 | C53 | H532 | 120.2° | 120.2° |
H531 | C53 | C54 | H542 | 6.2° | 6.2° |
H531 | C53 | C54 | H541 | 133.8° | 133.8° |
H532 | C53 | C54 | H542 | 120.1° | 120.1° |
H532 | C53 | C54 | H541 | 7.6° | 7.6° |