TJL0529
     RDKit          3D

 60 64  0  0  1  0  0  0  0  0999 V2000
   13.5423   -1.2939    0.7026 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.1482   -1.1015    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4597   -0.1887   -1.9306 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0731   -0.0566    1.0924 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4622    0.6531   -1.0351 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1684    1.3856    0.6572 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2389    1.0032   -0.1030 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8668   -2.0615    1.1970 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4862   -0.8134    2.1325 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0705    1.5905    0.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9280    0.9046    1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5544    0.7526    0.7206 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5557   -0.1884   -0.8073 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4017   -1.8861   -0.2443 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9400    0.4389    1.4327 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4117   -2.0454    0.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405    2.3184    0.7929 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8051    0.2131    0.7355 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732   -1.3365   -1.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498    1.9154    0.5572 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3528   -1.7923    2.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    1.7581   -0.4857 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.0240    2.0327    1.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5798    0.1940    1.2566 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.3843   -1.6530   -0.0235 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0733   -1.8340   -1.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7951   -1.5220   -1.8600 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1708   -1.7773   -2.2461 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3173   -0.8860   -2.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423   -0.6988   -2.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0568   -0.9409   -3.3248 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8657   -0.2128   -3.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8408    3.5976    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8405    1.8935   -3.2897 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3615    2.6292   -0.9813 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2669    2.0434   -3.6543 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7577    2.2061   -1.1322 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3025    2.0908   -2.5282 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1958   -1.8744   -3.4879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4253   -0.2459   -3.4089 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4585    4.7001    0.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428    1.0446   -4.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4433    2.1828   -1.9690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7722    3.2521    0.7334 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5497    2.2356   -4.8810 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.2301    1.5350   -0.1553 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.5549    2.1447   -2.7578 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3151   -2.8031    4.0994 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7408   -3.6289    3.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0196   -1.4479    4.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8284   -3.1554    2.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1695   -0.8881    3.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6108   -1.7116    2.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8807    0.4733    3.2502 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0467    1.0472    2.3229 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6032    0.2700    1.2825 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1113   -5.0525    3.2793 N   0  0  0  0  0  1  0  0  0  0  0  0
   -8.0324   -0.3531    5.6634 I   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2244   -4.0019    1.3855 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8590   -1.0546    1.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  2 16  2  0
  2 18  1  0
  3  5  1  0
  3 29  1  0
  4 11  1  0
  4 24  1  0
  5 22  1  0
  6 12  1  0
  6 20  1  0
  7 13  1  0
  7 20  1  0
  8 14  1  0
  8 21  1  0
  9 15  1  0
  9 21  1  0
 10 15  1  0
 10 17  2  0
 10 22  1  0
 11 18  1  0
 11 23  2  0
 12 18  1  0
 13 19  1  0
 14 19  1  0
 25 26  1  0
 25 60  1  0
 26 27  2  0
 26 28  1  0
 27 30  1  0
 28 31  2  0
 29 40  1  0
 29 39  2  0
 30 32  2  0
 30 40  1  0
 31 32  1  0
 32 42  1  0
 33 41  2  0
 33 44  1  0
 34 36  1  0
 34 42  1  0
 34 43  1  0
 35 37  1  0
 35 43  1  0
 35 33  1  0
 36 38  1  0
 36 45  1  0
 37 38  1  0
 37 46  1  0
 38 47  1  0
 48 49  2  0
 48 50  1  0
 49 51  1  0
 49 57  1  0
 50 52  2  0
 50 58  1  0
 51 53  2  0
 51 59  1  0
 52 53  1  0
 52 54  1  0
 53 60  1  0
 54 55  2  0
 55 56  1  0
 56 60  2  0
M  RAD  8   1   3   3   3   4   2   5   3   6   3   7   3   8   3   9   3
M  RAD  8  12   3  13   3  14   3  15   3  22   2  24   2  25   3  27   2
M  RAD  8  28   2  31   2  34   2  35   2  36   2  37   2  38   2  40   2
M  RAD  8  44   2  45   2  46   2  47   2  48   2  54   2  55   2  56   2
M  CHG  1  60   1
M  RAD  2  57   3  59   2
M  END
$$$$
