OMS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C53 | C54 | sing | 1.54Å | 1.53Å | |
C53 | C52 | sing | 1.54Å | 1.52Å | |
C54 | C17 | sing | 1.54Å | 1.52Å | |
C49 | C44 | sing | 1.53Å | 1.53Å | |
C49 | C09 | sing | 1.53Å | 1.54Å | |
C52 | C17 | sing | 1.54Å | 1.52Å | |
C33 | C26 | sing | 1.51Å | 1.52Å | |
C17 | O15 | sing | 1.45Å | 1.44Å | |
C17 | C51 | sing | 1.53Å | 1.47Å | |
O15 | C14 | sing | 1.35Å | 1.39Å | |
N25 | C26 | doub | 1.31Å | 1.43Å | Aromatic |
N25 | C24 | sing | 1.34Å | 1.46Å | Aromatic |
C44 | C09 | sing | 1.53Å | 1.55Å | |
C44 | C45 | sing | 1.51Å | 1.54Å | |
C09 | N08 | sing | 1.48Å | 1.46Å | |
C09 | C34 | sing | 1.50Å | 1.49Å | |
C26 | C21 | sing | 1.40Å | 1.53Å | Aromatic |
C45 | C46 | doub | 1.31Å | 1.35Å | |
N08 | C06 | sing | 1.37Å | 1.42Å | |
O36 | C34 | doub | 1.21Å | 1.18Å | |
C30 | C24 | doub | 1.41Å | 1.54Å | Aromatic |
C30 | C29 | sing | 1.36Å | 1.50Å | Aromatic |
O12 | C10 | doub | 1.21Å | 1.20Å | |
C14 | N13 | sing | 1.35Å | 1.43Å | |
C14 | O16 | doub | 1.22Å | 1.20Å | |
C34 | N35 | sing | 1.35Å | 1.43Å | |
C24 | C23 | sing | 1.42Å | 1.49Å | Aromatic |
N13 | C11 | sing | 1.47Å | 1.42Å | |
C46 | C47 | sing | 1.51Å | 1.54Å | |
O38 | S37 | doub | 1.42Å | 1.47Å | |
C10 | C11 | sing | 1.51Å | 1.53Å | |
C10 | N05 | sing | 1.35Å | 1.46Å | |
C21 | O20 | sing | 1.36Å | 1.38Å | |
C21 | N22 | doub | 1.32Å | 1.42Å | Aromatic |
C29 | C28 | doub | 1.40Å | 1.50Å | Aromatic |
N35 | S37 | sing | 1.66Å | 1.65Å | |
C06 | C01 | sing | 1.51Å | 1.43Å | |
C06 | O07 | doub | 1.21Å | 1.18Å | |
C01 | N05 | sing | 1.47Å | 1.61Å | |
C01 | C02 | sing | 1.53Å | 1.54Å | |
C47 | C48 | sing | 1.53Å | 1.54Å | |
O20 | C03 | sing | 1.43Å | 1.45Å | |
C11 | C18 | sing | 1.53Å | 1.54Å | |
N05 | C04 | sing | 1.46Å | 1.39Å | |
C23 | N22 | sing | 1.34Å | 1.44Å | Aromatic |
C23 | C27 | doub | 1.40Å | 1.52Å | Aromatic |
S37 | O39 | doub | 1.42Å | 1.46Å | |
S37 | C40 | sing | 1.81Å | 1.81Å | |
C18 | C19 | sing | 1.53Å | 1.56Å | |
C02 | C03 | sing | 1.54Å | 1.34Å | |
C28 | C27 | sing | 1.38Å | 1.53Å | Aromatic |
C28 | O31 | sing | 1.36Å | 1.38Å | |
C03 | C04 | sing | 1.53Å | 1.64Å | |
C41 | C40 | sing | 1.53Å | 1.53Å | |
C41 | C42 | sing | 1.53Å | 1.54Å | |
C48 | C50 | sing | 1.53Å | 1.58Å | |
C40 | C42 | sing | 1.53Å | 1.53Å | |
C40 | C43 | sing | 1.53Å | 1.56Å | |
C19 | C50 | sing | 1.53Å | 1.57Å | |
O31 | C32 | sing | 1.43Å | 1.41Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C04 | H042 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C19 | H192 | sing | 1.09Å | 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 | 1.09Å | 1.10Å | |
C32 | H323 | sing | 1.09Å | 1.10Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C33 | H333 | sing | 1.09Å | 1.10Å | |
C33 | H331 | 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 | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C43 | H433 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C45 | H451 | sing | 1.08Å | 1.08Å | |
C46 | H461 | sing | 1.08Å | 1.08Å | |
C47 | H471 | sing | 1.09Å | 1.10Å | |
C47 | H472 | sing | 1.09Å | 1.10Å | |
C48 | H481 | sing | 1.09Å | 1.10Å | |
C48 | H482 | sing | 1.09Å | 1.10Å | |
C49 | H491 | sing | 1.09Å | 1.10Å | |
C49 | H492 | sing | 1.09Å | 1.10Å | |
C50 | H501 | sing | 1.09Å | 1.10Å | |
C50 | H502 | sing | 1.09Å | 1.10Å | |
C51 | H513 | sing | 1.09Å | 1.10Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
C52 | H522 | sing | 1.09Å | 1.10Å | |
C52 | H521 | 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 | |
N08 | H081 | sing | 0.97Å | 1.00Å | |
N13 | H131 | sing | 0.97Å | 1.00Å | |
N35 | H351 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C54 | C53 | C52 | 88.4° | 87.1° |
C53 | C54 | C17 | 90.7° | 87.0° |
C54 | C53 | H531 | 114.4° | 113.6° |
C54 | C53 | H532 | 114.5° | 113.6° |
C53 | C54 | H541 | 114.0° | 113.6° |
C53 | C54 | H542 | 113.9° | 113.6° |
C53 | C52 | C17 | 91.2° | 87.1° |
C53 | C52 | H522 | 113.8° | 113.7° |
C53 | C52 | H521 | 113.8° | 113.6° |
C52 | C53 | H531 | 114.5° | 113.5° |
C52 | C53 | H532 | 114.5° | 113.7° |
C54 | C17 | C52 | 88.5° | 87.2° |
C54 | C17 | O15 | 111.6° | 113.6° |
C54 | C17 | C51 | 112.4° | 113.7° |
C17 | C54 | H541 | 113.9° | 113.6° |
C17 | C54 | H542 | 113.9° | 113.7° |
C44 | C49 | C09 | 60.6° | 60.1° |
C49 | C44 | C09 | 60.0° | 59.9° |
C49 | C44 | C45 | 120.3° | 118.4° |
C49 | C44 | H441 | 110.5° | 117.3° |
C44 | C49 | H491 | 119.9° | 117.5° |
C44 | C49 | H492 | 119.9° | 117.5° |
C49 | C09 | C44 | 59.4° | 60.0° |
C49 | C09 | N08 | 124.2° | 117.8° |
C49 | C09 | C34 | 113.6° | 118.3° |
C09 | C49 | H491 | 119.9° | 117.5° |
C09 | C49 | H492 | 119.9° | 117.5° |
C52 | C17 | O15 | 115.0° | 113.6° |
C52 | C17 | C51 | 113.9° | 113.6° |
C17 | C52 | H522 | 113.8° | 113.7° |
C17 | C52 | H521 | 113.8° | 113.6° |
C33 | C26 | N25 | 118.9° | 119.6° |
C33 | C26 | C21 | 122.2° | 119.7° |
C26 | C33 | H332 | 109.5° | 109.5° |
C26 | C33 | H333 | 109.5° | 109.5° |
C26 | C33 | H331 | 109.4° | 109.4° |
O15 | C17 | C51 | 113.1° | 112.8° |
C17 | O15 | C14 | 117.0° | 117.0° |
C17 | C51 | H513 | 109.5° | 109.5° |
C17 | C51 | H511 | 109.4° | 109.4° |
C17 | C51 | H512 | 109.5° | 109.5° |
O15 | C14 | N13 | 113.3° | 120.0° |
O15 | C14 | O16 | 124.6° | 120.0° |
C26 | N25 | C24 | 118.2° | 119.8° |
N25 | C26 | C21 | 118.9° | 120.7° |
N25 | C24 | C30 | 118.3° | 120.9° |
N25 | C24 | C23 | 121.3° | 119.6° |
C09 | C44 | C45 | 134.7° | 117.2° |
C44 | C09 | N08 | 116.8° | 116.2° |
C44 | C09 | C34 | 109.3° | 118.1° |
C09 | C44 | H441 | 110.3° | 117.4° |
C44 | C45 | C46 | 124.2° | 119.4° |
C45 | C44 | H441 | 110.5° | 115.3° |
C44 | C45 | H451 | 117.9° | 120.3° |
N08 | C09 | C34 | 118.3° | 115.3° |
C09 | N08 | C06 | 127.1° | 113.8° |
C09 | N08 | H081 | 116.5° | 123.1° |
C09 | C34 | O36 | 124.7° | 120.0° |
C09 | C34 | N35 | 115.4° | 120.0° |
C26 | C21 | O20 | 119.3° | 119.7° |
C26 | C21 | N22 | 123.1° | 120.5° |
C45 | C46 | C47 | 124.1° | 119.6° |
C46 | C45 | H451 | 117.9° | 120.2° |
C45 | C46 | H461 | 117.9° | 120.2° |
N08 | C06 | C01 | 114.7° | 119.0° |
N08 | C06 | O07 | 119.5° | 120.5° |
C06 | N08 | H081 | 116.5° | 123.1° |
O36 | C34 | N35 | 119.5° | 120.0° |
C24 | C30 | C29 | 118.6° | 119.9° |
C30 | C24 | C23 | 120.5° | 119.5° |
C24 | C30 | H301 | 120.7° | 120.0° |
C30 | C29 | C28 | 121.0° | 120.9° |
C30 | C29 | H291 | 119.5° | 119.5° |
C29 | C30 | H301 | 120.7° | 120.0° |
O12 | C10 | C11 | 121.3° | 119.7° |
O12 | C10 | N05 | 119.7° | 119.7° |
N13 | C14 | O16 | 121.8° | 120.0° |
C14 | N13 | C11 | 119.6° | 120.0° |
C14 | N13 | H131 | 120.2° | 119.9° |
C34 | N35 | S37 | 116.2° | 120.0° |
C34 | N35 | H351 | 121.9° | 120.0° |
C24 | C23 | N22 | 121.7° | 119.7° |
C24 | C23 | C27 | 121.1° | 119.4° |
N13 | C11 | C10 | 112.7° | 109.4° |
N13 | C11 | C18 | 107.8° | 109.5° |
N13 | C11 | H111 | 110.8° | 109.4° |
C11 | N13 | H131 | 120.2° | 120.0° |
C46 | C47 | C48 | 108.8° | 110.0° |
C47 | C46 | H461 | 118.0° | 120.2° |
C46 | C47 | H471 | 109.6° | 109.4° |
C46 | C47 | H472 | 109.6° | 109.4° |
O38 | S37 | N35 | 113.6° | 104.3° |
O38 | S37 | O39 | 109.9° | 121.1° |
O38 | S37 | C40 | 114.0° | 110.5° |
C11 | C10 | N05 | 119.0° | 120.6° |
C10 | C11 | C18 | 107.1° | 109.6° |
C10 | C11 | H111 | 109.2° | 109.5° |
C10 | N05 | C01 | 124.3° | 125.1° |
C10 | N05 | C04 | 126.3° | 125.9° |
O20 | C21 | N22 | 117.5° | 119.8° |
C21 | O20 | C03 | 115.9° | 117.0° |
C21 | N22 | C23 | 116.8° | 119.7° |
C29 | C28 | C27 | 120.4° | 120.7° |
C29 | C28 | O31 | 121.7° | 119.7° |
C28 | C29 | H291 | 119.5° | 119.6° |
N35 | S37 | O39 | 107.8° | 104.3° |
N35 | S37 | C40 | 106.9° | 104.4° |
S37 | N35 | H351 | 121.9° | 120.0° |
C01 | C06 | O07 | 125.8° | 120.5° |
C06 | C01 | N05 | 100.4° | 109.1° |
C06 | C01 | C02 | 122.8° | 110.0° |
C06 | C01 | H011 | 111.6° | 109.9° |
N05 | C01 | C02 | 101.2° | 107.8° |
C01 | N05 | C04 | 109.4° | 109.0° |
N05 | C01 | H011 | 109.1° | 109.8° |
C01 | C02 | C03 | 103.3° | 106.2° |
C02 | C01 | H011 | 110.0° | 110.2° |
C01 | C02 | H022 | 111.0° | 110.1° |
C01 | C02 | H021 | 111.0° | 110.1° |
C47 | C48 | C50 | 112.4° | 109.3° |
C48 | C47 | H471 | 109.6° | 109.4° |
C48 | C47 | H472 | 109.6° | 109.4° |
C47 | C48 | H481 | 108.7° | 109.5° |
C47 | C48 | H482 | 108.7° | 109.5° |
O20 | C03 | C02 | 119.6° | 110.2° |
O20 | C03 | C04 | 97.2° | 110.2° |
O20 | C03 | H031 | 110.9° | 110.2° |
C11 | C18 | C19 | 110.5° | 109.7° |
C18 | C11 | H111 | 109.1° | 109.5° |
C11 | C18 | H181 | 109.2° | 109.4° |
C11 | C18 | H182 | 109.2° | 109.4° |
N05 | C04 | C03 | 99.7° | 107.5° |
N05 | C04 | H042 | 111.9° | 109.8° |
N05 | C04 | H041 | 111.9° | 109.9° |
N22 | C23 | C27 | 117.2° | 120.9° |
C23 | C27 | C28 | 118.4° | 119.6° |
C23 | C27 | H271 | 120.8° | 120.2° |
O39 | S37 | C40 | 104.1° | 110.5° |
S37 | C40 | C41 | 112.7° | 117.5° |
S37 | C40 | C42 | 115.4° | 117.5° |
S37 | C40 | C43 | 119.5° | 115.6° |
C18 | C19 | C50 | 108.3° | 109.5° |
C19 | C18 | H181 | 109.2° | 109.5° |
C19 | C18 | H182 | 109.2° | 109.4° |
C18 | C19 | H191 | 109.8° | 109.5° |
C18 | C19 | H192 | 109.8° | 109.5° |
C02 | C03 | C04 | 106.0° | 105.8° |
C03 | C02 | H022 | 111.0° | 110.1° |
C03 | C02 | H021 | 111.0° | 110.1° |
C02 | C03 | H031 | 112.9° | 110.2° |
C27 | C28 | O31 | 117.8° | 119.6° |
C28 | C27 | H271 | 120.8° | 120.2° |
C28 | O31 | C32 | 116.3° | 117.0° |
C04 | C03 | H031 | 108.5° | 110.2° |
C03 | C04 | H042 | 111.8° | 109.9° |
C03 | C04 | H041 | 111.9° | 109.8° |
C40 | C41 | C42 | 59.9° | 60.0° |
C41 | C40 | C42 | 60.4° | 60.0° |
C41 | C40 | C43 | 118.6° | 117.5° |
C40 | C41 | H411 | 120.0° | 117.5° |
C40 | C41 | H412 | 120.0° | 117.6° |
C41 | C42 | C40 | 59.6° | 60.0° |
C42 | C41 | H411 | 120.0° | 117.5° |
C42 | C41 | H412 | 120.0° | 117.5° |
C41 | C42 | H422 | 120.0° | 117.5° |
C41 | C42 | H421 | 120.1° | 117.5° |
C48 | C50 | C19 | 109.6° | 109.5° |
C50 | C48 | H481 | 108.7° | 109.5° |
C50 | C48 | H482 | 108.7° | 109.5° |
C48 | C50 | H501 | 109.4° | 109.4° |
C48 | C50 | H502 | 109.4° | 109.5° |
C42 | C40 | C43 | 116.5° | 117.5° |
C40 | C42 | H422 | 120.0° | 117.5° |
C40 | C42 | H421 | 120.1° | 117.5° |
C40 | C43 | H432 | 109.5° | 109.5° |
C40 | C43 | H433 | 109.5° | 109.5° |
C40 | C43 | H431 | 109.5° | 109.5° |
C50 | C19 | H191 | 109.8° | 109.4° |
C50 | C19 | H192 | 109.8° | 109.5° |
C19 | C50 | H501 | 109.4° | 109.4° |
C19 | C50 | H502 | 109.4° | 109.5° |
O31 | C32 | H322 | 109.5° | 109.5° |
O31 | C32 | H323 | 109.4° | 109.5° |
O31 | C32 | H321 | 109.4° | 109.5° |
H022 | C02 | H021 | 109.5° | 110.1° |
H042 | C04 | H041 | 109.5° | 109.9° |
H181 | C18 | H182 | 109.5° | 109.4° |
H191 | C19 | H192 | 109.4° | 109.5° |
H322 | C32 | H323 | 109.5° | 109.5° |
H322 | C32 | H321 | 109.5° | 109.5° |
H323 | C32 | H321 | 109.5° | 109.5° |
H332 | C33 | H333 | 109.5° | 109.5° |
H332 | C33 | H331 | 109.4° | 109.5° |
H333 | C33 | H331 | 109.5° | 109.5° |
H411 | C41 | H412 | 109.4° | 115.5° |
H422 | C42 | H421 | 109.5° | 115.5° |
H432 | C43 | H433 | 109.5° | 109.5° |
H432 | C43 | H431 | 109.5° | 109.5° |
H433 | C43 | H431 | 109.4° | 109.4° |
H471 | C47 | H472 | 109.5° | 109.3° |
H481 | C48 | H482 | 109.5° | 109.6° |
H491 | C49 | H492 | 109.5° | 115.5° |
H501 | C50 | H502 | 109.5° | 109.4° |
H513 | C51 | H511 | 109.5° | 109.5° |
H513 | C51 | H512 | 109.4° | 109.6° |
H511 | C51 | H512 | 109.5° | 109.4° |
H522 | C52 | H521 | 109.4° | 112.9° |
H531 | C53 | H532 | 109.5° | 112.9° |
H541 | C54 | H542 | 109.5° | 112.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C54 | C53 | C52 | H531 | 116.2° | 114.5° |
C54 | C53 | C52 | H532 | 116.2° | 114.6° |
C53 | C54 | C17 | H541 | 116.7° | 114.5° |
C53 | C54 | C17 | H542 | 116.7° | 114.5° |
C54 | C53 | C52 | C17 | 8.7° | 25.3° |
C53 | C54 | C17 | O15 | 125.0° | 139.9° |
C53 | C54 | C17 | C51 | 106.6° | 89.2° |
C54 | C53 | C52 | H522 | 108.1° | 139.9° |
C54 | C53 | C52 | H521 | 125.5° | 89.2° |
C54 | C53 | H531 | H532 | 130.0° | 131.2° |
C53 | C54 | H541 | H542 | 128.9° | 131.2° |
C53 | C52 | C17 | H522 | 116.8° | 114.6° |
C53 | C52 | C17 | H521 | 116.8° | 114.6° |
C53 | C52 | C17 | O15 | 121.9° | 140.0° |
C53 | C52 | C17 | C51 | 105.2° | 89.3° |
C53 | C52 | H522 | H521 | 128.7° | 131.3° |
C52 | C53 | H531 | H532 | 130.1° | 131.3° |
C52 | C53 | C54 | H541 | 125.4° | 89.1° |
C52 | C53 | C54 | H542 | 108.0° | 140.0° |
C54 | C17 | C52 | O15 | 113.2° | 114.6° |
C54 | C17 | C52 | C51 | 113.9° | 114.6° |
C54 | C17 | O15 | C51 | 128.0° | 131.2° |
C54 | C17 | O15 | C14 | 155.4° | 163.2° |
C54 | C17 | C51 | H513 | 180.0° | 166.6° |
C54 | C17 | C51 | H511 | 60.0° | 46.6° |
C54 | C17 | C51 | H512 | 60.0° | 73.3° |
C54 | C17 | C52 | H522 | 108.1° | 140.0° |
C54 | C17 | C52 | H521 | 125.6° | 89.2° |
C17 | C54 | C53 | H531 | 124.9° | 89.1° |
C17 | C54 | C53 | H532 | 107.5° | 140.0° |
C17 | C54 | H541 | H542 | 128.9° | 131.4° |
C44 | C49 | C09 | H491 | 109.7° | 107.5° |
C44 | C49 | C09 | H492 | 109.6° | 107.5° |
C49 | C44 | C09 | C45 | 104.4° | 108.7° |
C49 | C44 | C09 | H441 | 102.6° | 107.3° |
C49 | C44 | C45 | H441 | 130.7° | 146.6° |
C44 | C49 | C09 | N08 | 103.3° | 105.9° |
C44 | C49 | C09 | C34 | 99.3° | 107.9° |
C49 | C44 | C45 | C46 | 157.6° | 171.7° |
C49 | C44 | C45 | H451 | 22.4° | 8.2° |
C44 | C49 | H491 | H492 | 144.4° | 145.6° |
C49 | C09 | N08 | C34 | 156.4° | 147.2° |
C49 | C09 | N08 | C06 | 128.7° | 168.0° |
C49 | C09 | C34 | O36 | 17.0° | 82.2° |
C49 | C09 | C34 | N35 | 155.5° | 97.8° |
C09 | C49 | H491 | H492 | 144.4° | 145.7° |
C49 | C09 | N08 | H081 | 51.3° | 12.0° |
C52 | C17 | O15 | C51 | 133.2° | 131.1° |
C52 | C17 | O15 | C14 | 56.7° | 65.6° |
C52 | C17 | C51 | H513 | 81.3° | 68.9° |
C52 | C17 | C51 | H511 | 38.7° | 51.0° |
C52 | C17 | C51 | H512 | 158.7° | 171.0° |
C17 | C52 | H522 | H521 | 128.6° | 131.2° |
C17 | C52 | C53 | H531 | 124.9° | 89.2° |
C17 | C52 | C53 | H532 | 107.5° | 139.9° |
C52 | C17 | C54 | H541 | 125.4° | 89.1° |
C52 | C17 | C54 | H542 | 108.0° | 139.9° |
C33 | C26 | N25 | C21 | 177.6° | 180.0° |
C33 | C26 | N25 | C24 | 179.1° | 180.0° |
C33 | C26 | C21 | O20 | 2.7° | 0.0° |
C33 | C26 | C21 | N22 | 179.0° | 179.8° |
C26 | C33 | H332 | H333 | 120.0° | 120.0° |
C26 | C33 | H332 | H331 | 120.0° | 120.0° |
C26 | C33 | H333 | H331 | 120.0° | 120.0° |
C17 | O15 | C14 | N13 | 175.0° | 175.8° |
C17 | O15 | C14 | O16 | 0.1° | 4.1° |
O15 | C17 | C51 | H513 | 52.4° | 62.2° |
O15 | C17 | C51 | H511 | 172.5° | 177.8° |
O15 | C17 | C51 | H512 | 67.5° | 57.9° |
O15 | C17 | C52 | H522 | 5.1° | 105.4° |
O15 | C17 | C52 | H521 | 121.2° | 25.4° |
O15 | C17 | C54 | H541 | 118.3° | 25.5° |
O15 | C17 | C54 | H542 | 8.3° | 105.5° |
C51 | C17 | O15 | C14 | 76.6° | 65.6° |
C17 | C51 | H513 | H511 | 120.0° | 119.9° |
C17 | C51 | H513 | H512 | 120.0° | 120.0° |
C17 | C51 | H511 | H512 | 120.0° | 119.9° |
C51 | C17 | C52 | H522 | 138.0° | 25.3° |
C51 | C17 | C52 | H521 | 11.6° | 156.2° |
C51 | C17 | C54 | H541 | 10.1° | 156.3° |
C51 | C17 | C54 | H542 | 136.7° | 25.3° |
O15 | C14 | N13 | O16 | 175.1° | 180.0° |
O15 | C14 | N13 | C11 | 174.1° | 175.0° |
O15 | C14 | N13 | H131 | 5.9° | 4.9° |
C26 | N25 | C24 | C30 | 179.7° | 180.0° |
C26 | N25 | C24 | C23 | 0.3° | 0.2° |
N25 | C26 | C21 | O20 | 179.8° | 180.0° |
N25 | C26 | C21 | N22 | 3.4° | 0.2° |
N25 | C26 | C33 | H332 | 0.0° | 90.0° |
N25 | C26 | C33 | H333 | 120.0° | 30.0° |
N25 | C26 | C33 | H331 | 120.0° | 150.0° |
C24 | N25 | C26 | C21 | 1.4° | 0.0° |
N25 | C24 | C30 | C23 | 180.0° | 179.8° |
N25 | C24 | C30 | C29 | 179.5° | 179.8° |
N25 | C24 | C23 | N22 | 1.0° | 0.2° |
N25 | C24 | C23 | C27 | 179.7° | 179.8° |
N25 | C24 | C30 | H301 | 0.5° | 0.2° |
C09 | C44 | C45 | H441 | 153.0° | 144.7° |
C44 | C09 | N08 | C34 | 133.9° | 144.5° |
C09 | C44 | C45 | C46 | 126.0° | 103.0° |
C44 | C09 | N08 | C06 | 59.0° | 123.7° |
C44 | C09 | C34 | O36 | 47.2° | 13.0° |
C44 | C09 | C34 | N35 | 140.4° | 167.0° |
C09 | C44 | C45 | H451 | 54.0° | 77.0° |
C44 | C09 | N08 | H081 | 121.0° | 56.3° |
C45 | C44 | C09 | N08 | 140.0° | 142.9° |
C45 | C44 | C09 | C34 | 2.2° | 0.5° |
C44 | C45 | C46 | H451 | 180.0° | 179.9° |
C44 | C45 | C46 | C47 | 1.6° | 0.0° |
C44 | C45 | C46 | H461 | 178.4° | 179.8° |
C45 | C44 | C49 | H491 | 17.5° | 145.7° |
C45 | C44 | C49 | H492 | 123.2° | 0.8° |
C09 | N08 | C06 | H081 | 180.0° | 179.9° |
N08 | C09 | C34 | O36 | 175.8° | 130.8° |
N08 | C09 | C34 | N35 | 3.3° | 49.2° |
C09 | N08 | C06 | C01 | 170.5° | 172.5° |
C09 | N08 | C06 | O07 | 9.2° | 7.6° |
N08 | C09 | C44 | H441 | 13.0° | 1.0° |
N08 | C09 | C49 | H491 | 147.0° | 1.7° |
N08 | C09 | C49 | H492 | 6.3° | 146.7° |
C34 | C09 | N08 | C06 | 74.9° | 20.8° |
C09 | C34 | O36 | N35 | 172.1° | 179.9° |
C09 | C34 | N35 | S37 | 178.2° | 175.1° |
C34 | C09 | C44 | H441 | 150.8° | 144.5° |
C34 | C09 | C49 | H491 | 10.4° | 144.5° |
C34 | C09 | C49 | H492 | 151.1° | 0.5° |
C34 | C09 | N08 | H081 | 105.1° | 159.2° |
C09 | C34 | N35 | H351 | 1.8° | 4.9° |
C26 | C21 | O20 | N22 | 176.5° | 179.7° |
C26 | C21 | O20 | C03 | 163.3° | 179.7° |
C26 | C21 | N22 | C23 | 4.0° | 0.3° |
C21 | C26 | C33 | H332 | 177.6° | 90.0° |
C21 | C26 | C33 | H333 | 57.5° | 150.0° |
C21 | C26 | C33 | H331 | 62.5° | 30.0° |
C45 | C46 | C47 | H461 | 180.0° | 179.8° |
C45 | C46 | C47 | C48 | 118.5° | 176.2° |
C46 | C45 | C44 | H441 | 27.0° | 41.7° |
C45 | C46 | C47 | H471 | 1.4° | 56.0° |
C45 | C46 | C47 | H472 | 121.7° | 63.6° |
N08 | C06 | C01 | O07 | 179.6° | 180.0° |
N08 | C06 | C01 | N05 | 128.2° | 127.5° |
N08 | C06 | C01 | C02 | 121.2° | 114.4° |
N08 | C06 | C01 | H011 | 12.6° | 7.0° |
O36 | C34 | N35 | S37 | 5.4° | 4.9° |
O36 | C34 | N35 | H351 | 174.6° | 175.1° |
C24 | C30 | C29 | H301 | 180.0° | 180.0° |
C24 | C30 | C29 | C28 | 0.0° | 0.1° |
C30 | C24 | C23 | N22 | 179.0° | 180.0° |
C30 | C24 | C23 | C27 | 0.3° | 0.0° |
C24 | C30 | C29 | H291 | 180.0° | 180.0° |
C29 | C30 | C24 | C23 | 0.5° | 0.0° |
C30 | C29 | C28 | H291 | 180.0° | 179.9° |
C30 | C29 | C28 | C27 | 0.8° | 0.1° |
C30 | C29 | C28 | O31 | 179.6° | 180.0° |
O12 | C10 | C11 | N13 | 58.2° | 125.0° |
O12 | C10 | C11 | N05 | 179.1° | 179.6° |
O12 | C10 | N05 | C01 | 2.0° | 1.1° |
O12 | C10 | C11 | C18 | 60.2° | 5.0° |
O12 | C10 | N05 | C04 | 178.5° | 179.1° |
O12 | C10 | C11 | H111 | 178.2° | 115.1° |
C14 | N13 | C11 | H131 | 180.0° | 180.0° |
C14 | N13 | C11 | C10 | 77.5° | 156.8° |
C14 | N13 | C11 | C18 | 164.5° | 83.0° |
C14 | N13 | C11 | H111 | 45.2° | 36.9° |
O16 | C14 | N13 | C11 | 10.7° | 5.0° |
O16 | C14 | N13 | H131 | 169.2° | 175.0° |
C34 | N35 | S37 | O38 | 62.2° | 51.1° |
C34 | N35 | S37 | H351 | 180.0° | 180.0° |
C34 | N35 | S37 | O39 | 59.8° | 179.0° |
C34 | N35 | S37 | C40 | 171.2° | 65.0° |
C24 | C23 | N22 | C21 | 2.7° | 0.0° |
C24 | C23 | N22 | C27 | 178.8° | 180.0° |
C24 | C23 | C27 | C28 | 0.4° | 0.0° |
C24 | C23 | C27 | H271 | 179.5° | 179.9° |
C23 | C24 | C30 | H301 | 179.5° | 180.0° |
N13 | C11 | C10 | C18 | 118.4° | 120.0° |
N13 | C11 | C10 | H111 | 123.6° | 119.9° |
N13 | C11 | C10 | N05 | 122.6° | 55.4° |
N13 | C11 | C18 | H111 | 120.4° | 119.9° |
N13 | C11 | C18 | C19 | 177.9° | 168.6° |
N13 | C11 | C18 | H181 | 57.7° | 71.3° |
N13 | C11 | C18 | H182 | 62.0° | 48.6° |
C46 | C47 | C48 | H471 | 119.9° | 120.2° |
C46 | C47 | C48 | H472 | 119.9° | 120.1° |
C46 | C47 | C48 | C50 | 174.2° | 164.6° |
C47 | C46 | C45 | H451 | 178.4° | 180.0° |
C46 | C47 | H471 | H472 | 120.3° | 119.7° |
C46 | C47 | C48 | H481 | 53.8° | 75.4° |
C46 | C47 | C48 | H482 | 65.3° | 44.7° |
O38 | S37 | N35 | O39 | 122.0° | 127.9° |
O38 | S37 | N35 | C40 | 126.6° | 116.1° |
O38 | S37 | O39 | C40 | 122.4° | 131.5° |
O38 | S37 | C40 | C41 | 32.9° | 0.2° |
O38 | S37 | C40 | C42 | 33.9° | 68.4° |
O38 | S37 | C40 | C43 | 179.3° | 145.9° |
O38 | S37 | N35 | H351 | 117.8° | 128.9° |
C11 | C10 | N05 | C01 | 177.1° | 178.5° |
C10 | C11 | C18 | H111 | 118.1° | 120.1° |
C11 | C10 | N05 | C04 | 2.3° | 1.4° |
C10 | C11 | C18 | C19 | 60.6° | 48.6° |
C10 | C11 | C18 | H181 | 179.2° | 168.7° |
C10 | C11 | C18 | H182 | 59.6° | 71.4° |
C10 | C11 | N13 | H131 | 102.5° | 23.2° |
C10 | N05 | C01 | C06 | 48.1° | 43.4° |
C10 | N05 | C01 | C04 | 179.5° | 179.9° |
C10 | N05 | C01 | C02 | 174.8° | 162.8° |
N05 | C10 | C11 | C18 | 119.0° | 175.4° |
C10 | N05 | C04 | C03 | 161.6° | 160.3° |
C10 | N05 | C01 | H011 | 69.3° | 77.1° |
C10 | N05 | C04 | H042 | 43.2° | 40.7° |
C10 | N05 | C04 | H041 | 80.0° | 80.2° |
N05 | C10 | C11 | H111 | 0.9° | 64.5° |
O20 | C21 | N22 | C23 | 179.7° | 180.0° |
C21 | O20 | C03 | C02 | 78.9° | 150.0° |
C21 | O20 | C03 | C04 | 168.1° | 93.6° |
C21 | O20 | C03 | H031 | 55.1° | 28.2° |
N22 | C21 | O20 | C03 | 20.2° | 0.0° |
C21 | N22 | C23 | C27 | 178.5° | 180.0° |
C29 | C28 | C27 | C23 | 0.9° | 0.0° |
C29 | C28 | C27 | O31 | 178.9° | 180.0° |
C29 | C28 | O31 | C32 | 173.4° | 0.0° |
C29 | C28 | C27 | H271 | 179.0° | 179.9° |
C28 | C29 | C30 | H301 | 180.0° | 180.0° |
N35 | S37 | O39 | C40 | 113.3° | 111.7° |
N35 | S37 | C40 | C41 | 93.4° | 111.4° |
N35 | S37 | C40 | C42 | 160.3° | 179.9° |
N35 | S37 | C40 | C43 | 53.0° | 34.3° |
C06 | C01 | N05 | C02 | 126.6° | 119.4° |
C06 | C01 | N05 | H011 | 117.4° | 120.5° |
C06 | C01 | C02 | H011 | 134.5° | 121.3° |
C06 | C01 | N05 | C04 | 131.4° | 136.4° |
C06 | C01 | C02 | C03 | 142.3° | 126.5° |
C06 | C01 | C02 | H022 | 23.4° | 7.2° |
C06 | C01 | C02 | H021 | 98.6° | 114.3° |
C01 | C06 | N08 | H081 | 9.5° | 7.5° |
O07 | C06 | C01 | N05 | 51.5° | 52.5° |
O07 | C06 | C01 | C02 | 59.1° | 65.6° |
O07 | C06 | C01 | H011 | 167.0° | 173.0° |
O07 | C06 | N08 | H081 | 170.8° | 172.5° |
N05 | C01 | C02 | H011 | 115.3° | 119.9° |
N05 | C01 | C02 | C03 | 32.2° | 7.6° |
C01 | N05 | C04 | C03 | 18.9° | 19.6° |
N05 | C01 | C02 | H022 | 86.8° | 111.6° |
N05 | C01 | C02 | H021 | 151.2° | 126.8° |
C01 | N05 | C04 | H042 | 137.3° | 139.1° |
C01 | N05 | C04 | H041 | 99.5° | 99.9° |
C01 | C02 | C03 | O20 | 62.5° | 123.1° |
C02 | C01 | N05 | C04 | 4.8° | 17.0° |
C01 | C02 | C03 | H022 | 119.0° | 119.2° |
C01 | C02 | C03 | H021 | 119.0° | 119.2° |
C01 | C02 | C03 | C04 | 45.6° | 4.0° |
C01 | C02 | H022 | H021 | 122.9° | 121.6° |
C01 | C02 | C03 | H031 | 164.2° | 115.1° |
C47 | C48 | C50 | H481 | 120.4° | 119.9° |
C47 | C48 | C50 | H482 | 120.4° | 119.9° |
C47 | C48 | C50 | C19 | 65.3° | 70.4° |
C48 | C47 | C46 | H461 | 61.5° | 3.6° |
C48 | C47 | H471 | H472 | 120.3° | 119.7° |
C47 | C48 | H481 | H482 | 118.6° | 120.1° |
C47 | C48 | C50 | H501 | 54.7° | 169.7° |
C47 | C48 | C50 | H502 | 174.7° | 49.7° |
O20 | C03 | C04 | N05 | 81.4° | 133.3° |
O20 | C03 | C02 | C04 | 108.1° | 119.1° |
O20 | C03 | C02 | H031 | 133.2° | 121.8° |
O20 | C03 | C04 | H031 | 115.0° | 121.8° |
O20 | C03 | C02 | H022 | 178.4° | 117.7° |
O20 | C03 | C02 | H021 | 56.5° | 3.9° |
O20 | C03 | C04 | H042 | 37.0° | 107.1° |
O20 | C03 | C04 | H041 | 160.2° | 13.8° |
C11 | C18 | C19 | H181 | 120.2° | 120.1° |
C11 | C18 | C19 | H182 | 120.1° | 120.1° |
C11 | C18 | C19 | C50 | 171.8° | 146.0° |
C11 | C18 | H181 | H182 | 119.5° | 119.9° |
C11 | C18 | C19 | H191 | 51.9° | 26.1° |
C11 | C18 | C19 | H192 | 68.4° | 93.9° |
C18 | C11 | N13 | H131 | 15.5° | 96.9° |
N05 | C04 | C03 | C02 | 42.2° | 14.2° |
N05 | C04 | C03 | H042 | 118.4° | 119.5° |
N05 | C04 | C03 | H041 | 118.4° | 119.5° |
C04 | N05 | C01 | H011 | 111.2° | 103.1° |
N05 | C04 | C03 | H031 | 163.6° | 104.8° |
N05 | C04 | H042 | H041 | 124.6° | 121.0° |
N22 | C23 | C27 | C28 | 178.4° | 180.0° |
N22 | C23 | C27 | H271 | 1.7° | 0.0° |
C23 | C27 | C28 | H271 | 180.0° | 179.9° |
C23 | C27 | C28 | O31 | 179.9° | 180.0° |
O39 | S37 | C40 | C41 | 152.6° | 137.0° |
O39 | S37 | C40 | C42 | 85.8° | 68.3° |
O39 | S37 | C40 | C43 | 61.0° | 77.3° |
O39 | S37 | N35 | H351 | 120.2° | 1.1° |
S37 | C40 | C41 | C42 | 107.3° | 107.5° |
S37 | C40 | C41 | C43 | 146.8° | 145.0° |
S37 | C40 | C42 | C43 | 147.8° | 145.0° |
S37 | C40 | C41 | H411 | 2.2° | 0.0° |
S37 | C40 | C41 | H412 | 143.2° | 145.1° |
S37 | C40 | C42 | H422 | 6.5° | 145.0° |
S37 | C40 | C42 | H421 | 147.8° | 0.1° |
S37 | C40 | C43 | H432 | 180.0° | 154.3° |
S37 | C40 | C43 | H433 | 60.0° | 34.3° |
S37 | C40 | C43 | H431 | 60.0° | 85.7° |
C40 | S37 | N35 | H351 | 8.8° | 115.0° |
C18 | C19 | C50 | C48 | 100.9° | 168.4° |
C18 | C19 | C50 | H191 | 119.8° | 120.0° |
C18 | C19 | C50 | H192 | 119.8° | 120.0° |
C19 | C18 | C11 | H111 | 57.5° | 71.5° |
C19 | C18 | H181 | H182 | 119.5° | 119.9° |
C18 | C19 | H191 | H192 | 120.5° | 120.0° |
C18 | C19 | C50 | H501 | 19.1° | 71.6° |
C18 | C19 | C50 | H502 | 139.0° | 48.3° |
C02 | C03 | C04 | H031 | 121.5° | 119.1° |
C03 | C02 | C01 | H011 | 83.1° | 112.2° |
C03 | C02 | H022 | H021 | 122.9° | 121.6° |
C02 | C03 | C04 | H042 | 160.6° | 133.8° |
C02 | C03 | C04 | H041 | 76.2° | 105.3° |
C27 | C28 | O31 | C32 | 7.7° | 180.0° |
C27 | C28 | C29 | H291 | 179.3° | 180.0° |
O31 | C28 | C27 | H271 | 0.1° | 0.0° |
O31 | C28 | C29 | H291 | 0.4° | 0.1° |
C28 | O31 | C32 | H322 | 180.0° | 60.0° |
C28 | O31 | C32 | H323 | 60.0° | 60.0° |
C28 | O31 | C32 | H321 | 60.0° | 180.0° |
C04 | C03 | C02 | H022 | 73.4° | 123.2° |
C04 | C03 | C02 | H021 | 164.6° | 115.2° |
C03 | C04 | H042 | H041 | 124.6° | 120.9° |
C40 | C41 | C42 | H411 | 109.4° | 107.5° |
C40 | C41 | C42 | H412 | 109.4° | 107.6° |
C41 | C40 | C42 | C43 | 109.4° | 107.5° |
C40 | C41 | H411 | H412 | 144.7° | 145.8° |
C40 | C41 | C42 | H422 | 109.4° | 107.5° |
C40 | C41 | C42 | H421 | 109.4° | 107.5° |
C41 | C40 | C43 | H432 | 35.5° | 8.6° |
C41 | C40 | C43 | H433 | 84.5° | 111.4° |
C41 | C40 | C43 | H431 | 155.5° | 128.6° |
C42 | C41 | H411 | H412 | 144.8° | 145.6° |
C41 | C42 | H422 | H421 | 145.0° | 145.7° |
C48 | C50 | C19 | H501 | 120.0° | 119.9° |
C48 | C50 | C19 | H502 | 120.0° | 120.1° |
C48 | C50 | C19 | H191 | 18.9° | 48.4° |
C48 | C50 | C19 | H192 | 139.2° | 71.5° |
C50 | C48 | C47 | H471 | 65.9° | 44.4° |
C50 | C48 | C47 | H472 | 54.3° | 75.3° |
C50 | C48 | H481 | H482 | 118.7° | 120.1° |
C48 | C50 | H501 | H502 | 120.0° | 120.0° |
C40 | C42 | H422 | H421 | 144.9° | 145.7° |
C42 | C40 | C43 | H432 | 33.6° | 60.0° |
C42 | C40 | C43 | H433 | 153.6° | 180.0° |
C42 | C40 | C43 | H431 | 86.4° | 60.0° |
C43 | C40 | C41 | H411 | 144.6° | 145.1° |
C43 | C40 | C41 | H412 | 3.5° | 0.0° |
C43 | C40 | C42 | H422 | 141.3° | 0.0° |
C43 | C40 | C42 | H421 | 0.0° | 145.0° |
C40 | C43 | H432 | H433 | 120.0° | 120.0° |
C40 | C43 | H432 | H431 | 120.0° | 120.0° |
C40 | C43 | H433 | H431 | 120.0° | 120.0° |
C50 | C19 | C18 | H181 | 68.1° | 93.8° |
C50 | C19 | C18 | H182 | 51.6° | 26.0° |
C50 | C19 | H191 | H192 | 120.5° | 120.0° |
C19 | C50 | C48 | H481 | 174.3° | 169.7° |
C19 | C50 | C48 | H482 | 55.2° | 49.5° |
C19 | C50 | H501 | H502 | 119.9° | 120.0° |
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 | 157.9° | 128.5° |
H011 | C01 | C02 | H021 | 35.9° | 7.0° |
H022 | C02 | C03 | H031 | 45.2° | 4.1° |
H021 | C02 | C03 | H031 | 76.8° | 125.7° |
H031 | C03 | C04 | H042 | 78.0° | 14.7° |
H031 | C03 | C04 | H041 | 45.3° | 135.6° |
H111 | C11 | C18 | H181 | 62.7° | 48.6° |
H111 | C11 | C18 | H182 | 177.7° | 168.5° |
H111 | C11 | N13 | H131 | 134.8° | 143.1° |
H181 | C18 | C19 | H191 | 172.1° | 146.2° |
H181 | C18 | C19 | H192 | 51.8° | 26.2° |
H182 | C18 | C19 | H191 | 68.2° | 94.0° |
H182 | C18 | C19 | H192 | 171.5° | 146.0° |
H191 | C19 | C50 | H501 | 138.9° | 168.4° |
H191 | C19 | C50 | H502 | 101.1° | 71.6° |
H192 | C19 | C50 | H501 | 100.8° | 48.4° |
H192 | C19 | C50 | H502 | 19.2° | 168.4° |
H291 | C29 | C30 | H301 | 0.0° | 0.1° |
H322 | C32 | H323 | H321 | 120.0° | 120.0° |
H332 | C33 | H333 | H331 | 120.0° | 120.0° |
H411 | C41 | C42 | H422 | 0.1° | 145.0° |
H411 | C41 | C42 | H421 | 141.2° | 0.0° |
H412 | C41 | C42 | H422 | 141.2° | 0.1° |
H412 | C41 | C42 | H421 | 0.1° | 144.9° |
H432 | C43 | H433 | H431 | 120.0° | 120.0° |
H441 | C44 | C45 | H451 | 153.1° | 138.3° |
H441 | C44 | C49 | H491 | 148.2° | 0.2° |
H441 | C44 | C49 | H492 | 7.4° | 145.1° |
H451 | C45 | C46 | H461 | 1.6° | 0.1° |
H461 | C46 | C47 | H471 | 178.6° | 123.8° |
H461 | C46 | C47 | H472 | 58.4° | 116.5° |
H471 | C47 | C48 | H481 | 173.7° | 164.4° |
H471 | C47 | C48 | H482 | 54.6° | 75.5° |
H472 | C47 | C48 | H481 | 66.1° | 44.7° |
H472 | C47 | C48 | H482 | 174.8° | 164.8° |
H481 | C48 | C50 | H501 | 65.7° | 49.7° |
H481 | C48 | C50 | H502 | 54.3° | 70.2° |
H482 | C48 | C50 | H501 | 175.2° | 70.4° |
H482 | C48 | C50 | H502 | 64.8° | 169.6° |
H513 | C51 | H511 | H512 | 120.0° | 120.1° |
H522 | C52 | C53 | H531 | 8.1° | 25.4° |
H522 | C52 | C53 | H532 | 135.7° | 105.5° |
H521 | C52 | C53 | H531 | 118.3° | 156.3° |
H521 | C52 | C53 | H532 | 9.3° | 25.4° |
H531 | C53 | C54 | H541 | 118.4° | 156.4° |
H531 | C53 | C54 | H542 | 8.2° | 25.5° |
H532 | C53 | C54 | H541 | 9.2° | 25.5° |
H532 | C53 | C54 | H542 | 135.8° | 105.4° |