
     RDKit          3D

 80 82  0  0  0  0  0  0  0  0999 V2000
   -5.9967    1.7827    1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1956    0.5569    1.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3754    0.0669    0.8789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7602   -1.1960    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9290   -2.3597    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -2.4062    0.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -2.8069    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338   -2.5737    1.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017   -2.9782    2.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234   -3.6266    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7188   -3.8574    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -3.4156   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -3.7515   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -4.8224   -1.7956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947   -2.9218   -2.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -1.6208   -2.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -1.7810   -2.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738   -2.9116   -2.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088   -0.6444   -1.8005 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -0.7802   -1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384   -1.2430    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -1.2826    0.8509 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6777   -0.1610    1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652    1.1495    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589    2.2276    1.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2687    2.0182    2.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2322    3.4121    2.5344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7897    0.7086    2.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962    0.4555    2.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9849   -0.3698    1.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -0.5477   -1.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0424   -0.3882   -2.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4637   -1.0387   -3.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    0.5495   -1.7329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    1.3289   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672    2.7245   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335    3.7356   -1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023    3.3450   -2.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    5.1397   -1.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408    0.5923    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310    0.5151    1.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7467    2.0258    2.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5245    1.5872    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243    2.6567    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569    0.8086    2.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9059   -0.2288    2.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6531   -1.1250   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359   -1.4134    0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -3.3138    0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151   -2.2484    1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146   -2.0580    2.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3436   -2.7928    3.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713   -3.9560    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275   -4.3917   -0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486   -3.2885   -3.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772   -1.2568   -3.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0725    0.3205   -2.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2564    0.2028   -1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472   -1.5022   -1.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509   -0.5923    0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -2.2692    0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1567    1.3493    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5501    3.2314    1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9184    0.9469    1.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274   -0.6338    2.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3304    0.8641    3.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3755   -1.3814    1.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -0.7578   -0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227    0.4377   -2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8865    0.6541   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    1.4874   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2499    3.1452    0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3350    2.6365   -0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626    3.7811   -1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    4.1647   -3.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9762    2.4517   -3.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6523    3.1431   -3.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081    5.4617   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2050    5.1514   -1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5919    5.8785   -1.9437 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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 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  1  0
 28 30  2  0
 16 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 40  3  1  0
 12  7  1  0
 30 23  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  2 46  1  0
  4 47  1  0
  4 48  1  0
  5 49  1  0
  5 50  1  0
  8 51  1  0
  9 52  1  0
 10 53  1  0
 11 54  1  0
 15 55  1  0
 16 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 21 60  1  0
 21 61  1  0
 24 62  1  0
 25 63  1  0
 29 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 31 68  1  0
 31 69  1  0
 34 70  1  0
 35 71  1  0
 36 72  1  0
 36 73  1  0
 37 74  1  0
 38 75  1  0
 38 76  1  0
 38 77  1  0
 39 78  1  0
 39 79  1  0
 39 80  1  0
M  END
$$$$
