
     RDKit          3D

 82 85  0  0  0  0  0  0  0  0999 V2000
    7.4140   -0.5763   -1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922    0.3994   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844    1.0784    0.8207 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9087    1.8919    1.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.8469    2.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6328    1.7860    1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727    0.8126    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4084    0.4049   -0.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320    0.1110   -1.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438    0.3508   -0.2085 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    0.5805    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -0.2593    1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.6168    2.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711   -0.1124    3.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -0.6784    2.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994   -1.8912    1.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -2.8079    1.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451   -3.9546    1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178   -4.1989    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7156   -5.6242   -0.8371 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028   -3.3211    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145   -2.1836    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950   -1.2997    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790   -1.0240    2.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4812   -0.7539   -0.2604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9127   -0.8667   -0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -0.0906   -1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426    1.3529   -1.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9631    2.2083   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1743    2.4957    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1791    3.2317    1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9769    3.6848    2.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666    3.3990    1.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7572    2.6644    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -0.9067   -2.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2768   -1.4132   -3.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -1.0633   -3.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340   -1.6519   -4.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738   -0.7506   -2.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840   -1.0598   -2.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -1.0159   -1.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474    0.3776   -1.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193   -0.9378   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7359   -1.4519   -1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4843   -0.0842   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7414    3.7672    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2710    2.4098    3.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6133    3.1004    3.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    2.4097    1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    1.6699    1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338    0.2951    1.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063   -0.9881    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.8525    2.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901    1.5007    2.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1685    0.9963    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -0.8642    3.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836    0.6476    3.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2178   -2.6462    2.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1912   -4.6408    1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6412   -3.5284   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -0.4558   -1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2092   -1.9372   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5006   -0.3172    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688    0.0094   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272    1.3750   -2.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106    1.7869   -2.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138    2.1508   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1160    3.4495    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9830    4.2561    3.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    3.7383    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8111    2.4398   -0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.1048   -4.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470   -2.7203   -4.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859   -1.5880   -4.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7986    0.3349   -1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350   -1.3280   -1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5707   -2.0846   -3.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -0.3332   -3.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585   -1.7782   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -1.3263   -2.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784    1.1198   -1.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    0.7215   -0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  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
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 27 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
  7  2  1  0
 42 10  1  0
 22 16  1  0
 34 29  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  5 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
 11 50  1  0
 11 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  0
 13 55  1  0
 14 56  1  0
 14 57  1  0
 17 58  1  0
 18 59  1  0
 21 60  1  0
 26 61  1  0
 26 62  1  0
 26 63  1  0
 27 64  1  0
 28 65  1  0
 28 66  1  0
 30 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 38 72  1  0
 38 73  1  0
 38 74  1  0
 39 75  1  0
 39 76  1  0
 40 77  1  0
 40 78  1  0
 41 79  1  0
 41 80  1  0
 42 81  1  0
 42 82  1  0
M  END
$$$$
