
     RDKit          2D

 73 79  0  0  0  0  0  0  0  0999 V2000
   -6.4388   -3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5470   -2.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4738   -1.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7256   -3.5381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8706   -3.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270   -2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286   -1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998   -1.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -0.8643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830   -0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508    0.9131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3140    1.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272    1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518    1.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346    1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.4665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0712   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8192    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -2.5971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -3.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0682   -2.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -4.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340   -5.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608   -5.9645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436   -6.1911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1038   -4.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156   -4.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -4.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -3.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302   -2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352   -1.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084   -1.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070   -2.9629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0184   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9568   -4.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652   -1.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244   -0.0581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036    0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600    1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994    0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650    1.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858    2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808    2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    1.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2514    1.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450    2.3987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    3.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148    4.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860    5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792    3.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368    5.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026    3.7727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272    3.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    4.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0948    3.9211    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698    2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3472    2.3599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    2.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    2.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0718    3.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988    3.9245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    4.3395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7734    2.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    2.0765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4700    3.3679    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  6
 26 27  1  0
 27 28  1  0
 27 29  2  0
 25 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 21 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  6
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 43 51  1  0
 51 52  2  0
 51 53  1  0
 54 53  1  6
 54 55  1  0
 55 56  1  1
 55 57  1  0
 54 58  1  0
 58 59  2  0
 58 60  1  0
 60 61  1  0
 61 62  1  6
 62 63  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  2  0
 64 68  1  1
 68 69  1  0
 68 70  1  0
 68 71  1  0
 71 72  1  0
 71 73  1  0
 38  5  1  0
 50 45  1  0
 66 61  1  0
 71 13  1  0
 64 14  1  0
 19 15  1  0
 37 33  1  0
M  END
