
 OpenBabel04291915333D

 78 79  0  0  0  0  0  0  0  0999 V2000
    0.9677   -0.0731   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -0.0731   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944   -0.3073    1.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9817   -1.1528   -0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020   -1.3424   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497   -2.3200   -1.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700   -2.5096   -2.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9427   -1.7216   -1.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341   -0.1752   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866   -3.1896   -2.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130   -2.3386   -3.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466   -4.2060   -3.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787   -0.5508   -0.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8274   -0.7876   -0.6456 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1959   -2.1974   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1963   -0.6136   -2.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897    0.3654    0.3037 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0862    0.3652    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -0.4557   -0.3717 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8272    1.3560    1.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842    1.1468    0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1569    1.9348    1.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4772    1.7444    1.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9248    0.7661    0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0522   -0.0218   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9639    1.3371    1.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0009    0.4675    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151   -0.9779    0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5824    0.8902    0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3819    0.5561    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0098    0.2403    1.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6182   -0.6039   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6629    3.0144    2.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8173    2.4113    3.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8451    3.7517    3.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111    0.0917   -1.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111    0.7063    0.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111   -1.0175    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444    0.8712   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377   -1.2516    1.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377    0.4722    1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0644   -0.3073    1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140   -3.2608   -2.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9501   -1.5490   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366    0.4122    0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1713   -3.7010   -1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -1.8272   -4.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -1.6231   -2.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -2.9664   -4.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1619   -3.6946   -4.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513   -4.8338   -3.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1616   -4.8050   -2.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1974    1.0237    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    1.2340    2.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5688    2.3445    0.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1478    2.3500    1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2299   -0.8072   -0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1533    0.5596   -0.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0627   -1.0700    1.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2137   -1.2755    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5198   -1.6057    0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300    0.7981    1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8871    0.2624    0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4316    1.9078    0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8255    1.4434    0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5662   -0.6470    2.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8435    1.0569    2.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0618    0.0886    1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1745   -1.4912   -0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6701   -0.7556   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1761   -0.3816   -1.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0693    3.6994    1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4110    1.7262    4.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9851    1.8922    3.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4607    3.1907    4.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4388    3.0667    3.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    4.5312    3.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4404    4.1763    2.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  2  0  0  0  0
  8 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 33  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 56  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  0  0  0  0
 33 72  1  0  0  0  0
 34 73  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
M  END
>  <SKU>
A10102

>  <Product Name>
Avasimibe (CI-1011)

>  <CAS>
166518-60-1 

>  <M.Wt>
501.72102

>  <Formula>
C29H43NO4S

>  <Synonyms>
CI-1011, CI1011, PD 148515

>  <URL>
https://www.adooq.com/avasimibe-ci-1011.html

$$$$
