
     RDKit          3D

 83 85  0  0  0  0  0  0  0  0999 V2000
    9.5267   -0.9171   -1.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4150   -0.1315   -0.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9600    1.2118   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8177   -0.9690    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090   -0.3208    0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4284   -0.0352    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326    0.5030    1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    0.9894    0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7992    1.7281    1.9126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    0.6589   -0.1252 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731   -0.6723   -0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954   -1.3206   -0.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4206   -1.7038    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -1.7693    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406   -2.1292    1.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1256   -2.3165    1.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5242   -2.6858    2.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8603   -2.9574    3.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8264   -2.8770    2.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4992   -3.2563    2.5358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4589   -2.5076    0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1264   -2.1761    0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8412   -1.8128   -0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7909   -2.7529   -1.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395   -0.4462   -1.2841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461   -0.2752   -2.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2498    0.7472   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051    0.7164   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4253    2.0384   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2709    0.4494   -2.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    0.9341    0.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416    0.4084    1.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5866    1.6957    1.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    1.4948    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    2.8082    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    2.3671   -0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    2.0392    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581    1.7190   -0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3223    0.5325    2.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5162    0.0411    2.0601 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3490   -1.1624   -0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1186   -1.8627   -2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9450   -0.3215   -2.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6216    0.0770   -1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1386    1.8237   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4098    1.7835   -1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7356    1.0523    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5135   -1.9697   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5883   -1.1321    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989   -0.1868   -0.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938   -1.3675   -0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9521   -0.5686   -1.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4455   -0.6457   -1.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188   -2.2443   -1.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536   -0.9663    1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -2.6949    0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4343   -0.7595   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -2.5228   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847   -2.7781    3.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1411   -3.2473    4.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2187   -2.4755    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8614    0.7896   -2.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212   -0.6923   -2.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -0.8060   -3.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530    1.6482   -1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2051   -0.0985   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0630    2.8945   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5341    1.9930   -0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1694    2.2264    0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3814    0.4837   -2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9504   -0.5609   -2.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8532    1.2127   -2.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7852    1.7049    3.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6710    0.4450    2.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    2.1694    2.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.6348    0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906    3.2651   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    3.1924   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352    1.4825   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372    1.1755    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152    2.8992    0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691    2.6382   -0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    1.4216   -1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 27 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
  7 39  1  0
 39 40  1  0
 40  5  2  0
 38 10  1  0
 22 16  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  6 50  1  0
 11 51  1  0
 11 52  1  0
 12 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 14 57  1  0
 14 58  1  0
 17 59  1  0
 18 60  1  0
 21 61  1  0
 26 62  1  0
 26 63  1  0
 26 64  1  0
 27 65  1  0
 28 66  1  0
 29 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 30 72  1  0
 34 73  1  0
 34 74  1  0
 34 75  1  0
 35 76  1  0
 35 77  1  0
 36 78  1  0
 36 79  1  0
 37 80  1  0
 37 81  1  0
 38 82  1  0
 38 83  1  0
M  END
$$$$
