
 OpenBabel04291915393D

 68 72  0  0  1  0  0  0  0  0999 V2000
   17.1782    0.5918    1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7815    0.1361    1.1234 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3203   -0.1828    2.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9394    1.1997    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4953    0.7285    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6245    1.8282   -0.0811 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7186    3.0383    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3481    2.9832    2.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4334    4.0797    2.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629    4.0246    4.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1482    5.1211    4.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7777    5.0660    6.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8630    6.1625    6.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4924    6.1074    8.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5777    7.2039    9.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1744    4.1899    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1669    2.1527   -1.4635 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5611    2.9100   -1.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1403    0.9321   -2.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5758    0.9810   -3.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5518   -0.1250   -4.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9873   -0.0761   -5.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9632   -1.1821   -6.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6808   -0.2229   -1.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5612    2.6407   -1.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0347    3.4128   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2234    3.8918    0.5404 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542    3.6240    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    4.1192    1.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8029    3.8424    1.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9640    4.3376    2.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375    5.1097    3.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4807    2.8519   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4001    2.1455   -2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0858    3.9413    2.1608 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.3529    3.6909   -0.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8419    4.4884    0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2754    1.3880   -0.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5139    0.8240    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7911   -0.1823    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2461    1.4655    1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9332   -0.9570    2.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3037   -0.5145    2.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3882    0.6909    3.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2751    1.4318   -0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0074    2.0734    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1595    0.4963    1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4273   -0.1452   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9979    2.0982    2.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7837    4.9647    2.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7126    3.1396    4.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4274    4.1810    6.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132    7.0475    6.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1422    5.2224    8.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5197    7.8249    9.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9289    1.8686   -3.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987   -1.0126   -3.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3404    0.8115   -5.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1017   -1.7551   -7.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2889   -0.6504   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4791    4.7126    2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4391    3.2490    0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3986    5.6936    4.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1659    1.8463   -2.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9007    4.5987    0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6257    4.0307    1.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3766    5.4509    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9664    1.1915    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  5  1  1  0  0  0
  6 38  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  2  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  2  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 55  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  6  0  0  0
 17 25  1  0  0  0  0
 17  6  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  2  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  2  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 26  2  0  0  0  0
 25 34  1  0  0  0  0
 26 36  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  2  0  0  0  0
 34 64  1  0  0  0  0
 36 37  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  END
>  <SKU>
A12327

>  <Product Name>
Bedaquiline (TMC-207)

>  <CAS>
843663-66-1

>  <M.Wt>
555.50474

>  <Formula>
C32H31BrN2O2

>  <Synonyms>
Sirturo, TMC2N/A7, R2N/A791N/A

>  <URL>
https://www.adooq.com/bedaquiline-tmc-207.html

$$$$
