YSW0440
     RDKit          3D

 55 59  0  0  1  0  0  0  0  0999 V2000
   18.9806   -0.2749   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6994   -0.6980    0.0890 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.3394   -1.1576    0.6628 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.2621   -1.5326    0.2336 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1702   -1.5373   -0.8619 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1504   -0.9804   -1.4010 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.8464   -0.2817   -0.9674 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0518   -0.3867    0.2270 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2403   -1.2103    1.2544 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4196   -2.2868    1.6661 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0556   -2.8000    1.1449 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.1947   -2.3407    0.1585 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3546   -1.2475   -0.5378 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4882   -0.1432   -0.5001 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8246    0.0821    0.2506 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0940   -0.5506    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3679    0.0796    1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7038    0.0646   -0.2807 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.4004    0.4380    1.9793 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0024    0.3695   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5701    0.3645   -2.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7048    0.7573    1.5751 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.9958    0.7148    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2702   -1.3453   -0.2538 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2711    0.9869   -0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8886    3.4759   -0.8877 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.3485   -2.1998    0.0352 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.4024    0.0424   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7154    2.4344   -0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3437    4.8034   -0.9029 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.6142   -1.7513    0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6386    0.5288    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9947    2.7761   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6298    5.1931   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6975   -0.3522    0.5478 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.4202    4.1170   -0.0593 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.0070   -0.8934    0.1445 N   0  0  0  0  0  2  0  0  0  0  0  0
   18.9741    0.5595   -1.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1843   -1.5635    1.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2603   -1.5777   -1.8312 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7325    0.3591   -0.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5801   -1.8966    2.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984   -3.3026    0.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525   -0.3099   -1.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0861    0.3310    0.9720 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0384   -2.0456    0.0236 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1368   -0.1797    1.6133 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0260    0.1055   -3.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8915    0.7045   -1.8835 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5967   -2.5325    0.6850 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.9253    1.8628    0.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0441    6.4006   -0.5345 O   0  0  0  0  0  1  0  0  0  0  0  0
   21.3157   -0.4833   -0.3843 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.6828   -0.0475   -0.9418 C   0  0  0  0  0  2  0  0  0  0  0  0
   24.0794    0.3578   -1.4691 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 37  1  0
  1 38  2  0
  2  3  1  0
  3 39  1  0
  4  5  1  0
  4 39  1  0
  5 40  1  0
  6  7  1  0
  6 40  1  0
  7 41  1  0
  8  9  1  0
  8 41  1  0
  9 42  1  0
 10 11  1  0
 10 42  1  0
 11 43  1  0
 12 13  1  0
 12 43  1  0
 13 44  1  0
 14 15  1  0
 14 44  1  0
 15 45  1  0
 16 45  1  0
 16 46  2  0
 16 47  1  0
 17 18  2  0
 17 19  1  0
 17 47  1  0
 18 20  1  0
 19 22  2  0
 20 21  1  0
 20 23  2  0
 21 48  2  0
 21 49  1  0
 22 23  1  0
 23 25  1  0
 24 27  2  0
 24 28  1  0
 25 28  1  0
 25 29  1  0
 25 49  1  0
 26 29  1  0
 26 30  2  0
 27 31  1  0
 28 32  2  0
 29 33  2  0
 30 34  1  0
 31 35  2  0
 31 50  1  0
 32 35  1  0
 32 51  1  0
 33 36  1  0
 33 51  1  0
 34 36  2  0
 34 52  1  0
 37 53  1  0
 53 54  1  0
 54 55  1  0
M  RAD  8   2   3   3   3   4   3   5   3   6   3   7   3   8   3   9   3
M  RAD  8  10   3  11   3  12   3  13   3  14   3  15   3  18   2  19   2
M  RAD  8  22   2  24   2  26   2  27   2  30   2  35   2  36   2  37   2
M  RAD  7  45   2  47   2  50   2  52   2  53   3  54   3  55   2
M  END
$$$$
