
     RDKit          3D

 66 69  0  0  0  0  0  0  0  0999 V2000
    5.9445   -1.3046    2.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1132   -0.6336    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -1.1501    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844   -0.5061   -0.1011 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950   -1.2609   -1.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -2.5059   -1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009   -2.2290   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899   -1.4051   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685   -0.9882   -0.3863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9781   -1.7580   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9091   -3.0138   -0.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950   -1.0925   -0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4173    0.0540   -1.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6506    0.6930   -1.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7750    0.1946   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6677   -0.9412   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4357   -1.5906    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3528   -2.9847    1.0964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486    0.0782    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947   -0.5691    2.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296    0.2353    3.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387    1.7394    2.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307    2.1561    1.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5161    1.0173    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    1.5932   -0.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416    2.0570   -1.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833    2.8739   -2.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    3.3582   -3.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    3.0255   -3.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260    2.2131   -1.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0996    1.7209   -1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298    0.8933    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515    1.4562    1.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9696   -2.4053    1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5149   -1.0841    3.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9848   -0.9166    2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1278    0.4660    1.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5741   -0.8434   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1911   -0.9554    1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947   -2.2513    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -1.5957   -1.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1170   -0.6213   -2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638   -2.9580   -2.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -3.2770   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773   -3.2029   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6317   -1.7485    0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -2.0240   -2.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005   -0.5342   -1.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571    0.4481   -1.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7350    1.5733   -2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7298    0.6903   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5446   -1.3141    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6296    0.7378    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9777   -0.6822    2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567   -1.5909    2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151   -0.0164    4.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -0.0456    3.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952    2.2917    3.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4143    2.0177    2.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876    2.5279    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887    3.0107    1.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    0.3945    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    3.1309   -2.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    3.9869   -4.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    3.3980   -3.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    1.9674   -1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
  9 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32  4  1  0
 17 12  1  0
 24 19  1  0
 31 26  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  2 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
 13 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 22 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
M  END
$$$$
