
     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    2.2023    0.1920    0.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858    0.2849    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010   -0.1822    1.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602   -0.0394    1.2520 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0705   -1.3507    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -1.4044   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -2.6171   -0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703   -3.7872   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3911   -3.7465    1.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8433   -2.5359    1.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0591    0.4621    2.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648    1.4377    2.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026    2.7540    2.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692    3.2355    1.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023    3.0753    1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997    3.4142    0.2842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629    3.7745   -0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    3.6686    0.3197 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    3.2229   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4865    2.0870   -1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407    0.8382   -0.9518 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7106   -0.2618   -2.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556   -0.9402   -2.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389   -2.0773   -1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -2.6964   -1.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5654   -2.1899   -2.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1380   -2.9629   -2.4107 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2873   -1.0649   -3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.4426   -3.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -0.6937    2.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108    0.7304    0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430   -0.5110   -0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0016   -2.6517   -1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888   -4.7267   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2060   -4.6557    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -2.5234    2.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496    0.8251    3.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -0.3784    3.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4830    3.4289    2.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306    2.8388    3.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3256    2.6616    2.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546    2.9938    0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783    4.1698   -0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493    1.8004   -1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1192    2.4919   -2.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007    1.1902   -0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357    0.1754   -3.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0675   -1.0269   -1.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937   -2.4781   -0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7995   -3.5667   -0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0390   -0.6707   -3.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364    0.4288   -3.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  4 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 21  2  1  0
 29 23  1  0
 10  5  1  0
 18 14  1  0
  3 30  1  0
  4 31  1  6
  6 32  1  0
  7 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 13 39  1  0
 13 40  1  0
 15 41  1  0
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 21 46  1  1
 22 47  1  0
 22 48  1  0
 24 49  1  0
 25 50  1  0
 28 51  1  0
 29 52  1  0
M  END
$$$$
