
 OpenBabel04291915393D

 90 90  0  0  1  0  0  0  0  0999 V2000
   -3.0301   -5.5124   -0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7894   -5.8219   -2.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8011   -6.0914   -3.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6643   -4.6351   -2.6449 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0499   -3.7721   -2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4053   -4.9371   -3.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2527   -4.2293   -4.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2773   -6.0269   -3.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9945   -6.3192   -5.1475 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6089   -7.1822   -4.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0315   -6.5829   -6.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0359   -7.6685   -6.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1190   -5.5964   -6.6227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1868   -5.8517   -7.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358   -4.6563   -7.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5003   -3.6574   -7.1964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -4.6663   -8.8766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -3.5092   -9.0779 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8278   -3.6997   -9.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7821   -3.2073   -7.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4455   -3.2063   -7.8308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -2.9239   -6.6548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631   -2.6316   -5.4474 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1472   -3.4670   -5.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0879   -1.4362   -5.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573   -1.4450   -6.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965   -4.3799   -1.5848 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1183   -4.0619   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7508   -2.3611   -4.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -2.0591   -3.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6813   -1.7866   -1.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -1.5129   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6813   -1.2404    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -0.9668    1.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331   -2.0580   -3.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980   -2.3225   -9.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913   -1.0271   -8.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -0.0793   -8.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659   -0.8894   -8.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8694   -5.1324   -5.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1578   -4.3299   -6.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0036   -3.1241   -6.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3320   -2.3667   -7.9859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9191   -1.2062   -8.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0483   -0.8211   -8.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2652   -0.4689   -9.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665    0.0904    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528   -0.9292   -0.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    1.3213    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    1.6827    1.6290 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    2.2977   -0.4540 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0821    1.0882    0.3213 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155    0.0904    0.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142   -6.3478   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7259   -5.3224   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4158   -4.6492   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4036   -6.6852   -2.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1869   -5.2281   -3.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3356   -6.3092   -4.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849   -6.9267   -3.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3997   -6.5946   -3.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1155   -4.7258   -6.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7218   -6.0697   -8.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5709   -6.6871   -7.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149   -5.4674   -9.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4648   -2.9247   -6.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8178   -4.4145    0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0100   -3.0015   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1706   -4.5326   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652   -3.2241   -4.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667   -1.5257   -4.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133   -1.7874   -1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0222   -1.5121   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133   -1.2412    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850   -0.7261    2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578   -2.2030   -3.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3161   -2.1788  -10.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -2.5816   -9.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720   -0.0704   -7.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8114   -5.4792   -5.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0427   -4.5208   -4.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0096   -4.9444   -7.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2096   -3.9994   -6.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1518   -2.5096   -6.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9518   -3.4547   -7.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4572   -2.6651   -8.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5092   -1.3408   -7.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3904   -0.7672   -9.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6791    0.3493   -9.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    0.8686    0.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  2 57  1  0  0  0  0
  3 58  1  0  0  0  0
  3 59  1  0  0  0  0
  3 60  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4  5  1  6  0  0  0
  4  2  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 61  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  1  0  0  0
  9 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 62  1  0  0  0  0
 14 15  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 65  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  6  0  0  0
 18 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 66  1  0  0  0  0
 23 29  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 30  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 31  2  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  0  0  0  0
 32 33  2  0  0  0  0
 32 73  1  0  0  0  0
 33 34  1  0  0  0  0
 33 74  1  0  0  0  0
 34 35  2  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
 36 37  1  0  0  0  0
 36 77  1  0  0  0  0
 36 78  1  0  0  0  0
 37 39  1  0  0  0  0
 37 38  2  0  0  0  0
 39 79  1  0  0  0  0
 40 41  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
 41 42  1  0  0  0  0
 41 82  1  0  0  0  0
 41 83  1  0  0  0  0
 42 43  1  0  0  0  0
 42 84  1  0  0  0  0
 42 85  1  0  0  0  0
 43 44  1  0  0  0  0
 43 86  1  0  0  0  0
 44 46  1  0  0  0  0
 44 45  2  0  0  0  0
 45 87  1  0  0  0  0
 46 88  1  0  0  0  0
 46 89  1  0  0  0  0
 47 53  1  0  0  0  0
 47 49  1  0  0  0  0
 47 48  2  0  0  0  0
 49 52  1  0  0  0  0
 49 51  1  0  0  0  0
 49 50  1  0  0  0  0
 53 90  1  0  0  0  0
M  END
>  <SKU>
A12371

>  <Product Name>
Cilengitide trifluoroacetate

>  <CAS>
199807-35-7

>  <M.Wt>
702.6792496

>  <Formula>
C29H41F3N8O9

>  <Synonyms>
EMD 12197,EMD-85189,EMD-121974,NSC-707544,D03497

>  <URL>
https://www.adooq.com/cilengitide-trifluoroacetate.html

$$$$
