ESI
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.5290  -12.9380   25.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2400  -13.9090   24.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7600  -11.9690   24.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5450  -12.1210   23.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290  -13.0170   24.8020 N   0  0  0  0  0  4  0  0  0  0  0  0
   10.7220  -10.7570   24.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4160  -10.7070   22.6620 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1470  -11.7150   21.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6990  -13.0310   21.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250  -13.2310   22.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0320  -11.3170   20.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4960  -12.2660   19.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0650  -13.5990   19.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1550  -14.0040   20.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4520  -15.9600   20.7830 I   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430  -10.0370   24.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1730  -10.5650   25.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4120  -14.1530   22.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3440  -10.3350   20.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1600  -11.9910   18.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4190  -14.2950   18.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  3  5  2  3
  3  6  1  0
  4  7  1  0
  4 10  2  0
  1  5  1  0
  2  5  1  0
  6 16  1  0
  6 17  1  0
  7  8  1  0
  8  9  2  0
  8 11  1  0
  9 10  1  0
  9 14  1  0
 10 18  1  0
 11 12  2  0
 11 19  1  0
 12 13  1  0
 12 20  1  0
 13 14  2  0
 13 21  1  0
 14 15  1  0
M  CHG  1   5   1
M  END
$$$$
