YSW0458
     RDKit          3D

 55 59  0  0  1  0  0  0  0  0999 V2000
   16.7189    2.0236   -0.1938 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.8035   -0.5828   -0.3836 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.0259   -1.5369   -1.1688 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9503    0.9158   -0.8944 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6771   -2.9850   -2.2650 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.9355   -3.3537   -1.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    1.6731    0.5194 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.1143    2.1932   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -1.2367    1.8991 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.2410    1.8974    0.2391 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2036   -1.9930    1.2349 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.4425    0.7147    0.1650 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5354   -1.4236   -1.5755 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1239   -0.6109    0.8032 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.6755   -0.3335   -1.4451 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5426    1.3104    1.6695 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9671   -0.0122    2.3035 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2601   -1.6908    0.8380 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2436   -0.3095    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4012    0.0823   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9409   -1.8821   -1.8058 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.5320   -0.6360    0.8509 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.3762   -2.5203   -0.7147 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.4269   -1.0673   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6606   -1.4081   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1577    0.7587   -1.1661 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.2408    0.0444   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5434    0.7283   -1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7093    0.1961   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4885    1.3764   -1.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6928    0.4763    1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4612    0.9374    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0058    2.1503    1.2511 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.4314    1.2148    2.1311 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.7695    2.8683    2.1877 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.0203    2.4461    2.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6120   -4.3420   -2.2000 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.9800    1.8214    0.6615 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2622   -1.4078   -1.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.0214    2.6748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6579   -1.4879    0.3951 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.3029   -1.7263   -0.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0450    0.0960   -0.3337 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.3319    2.0151   -0.4708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501   -2.3333    1.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5293    3.3488   -0.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523    0.6627    2.0437 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2822   -0.6876    0.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7357    1.0748   -1.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2483    2.0659   -2.9699 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7165    3.1170    3.5047 O   0  0  0  0  0  1  0  0  0  0  0  0
   18.8540    1.1182   -0.8357 N   0  0  0  0  0  2  0  0  0  0  0  0
   18.2690   -0.1987   -0.5283 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.6843   -1.5908   -0.1990 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.1207   -2.9922    0.1174 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  8  1  0
  1 10  1  0
  2 12  1  0
  2 42  1  0
  3 13  1  0
  3 42  1  0
  4 15  1  0
  4 44  1  0
  5  6  2  0
  5 21  1  0
  6 23  1  0
  6 37  1  0
  7 16  1  0
  7 44  1  0
  8 46  2  0
  8 52  1  0
  9 17  1  0
  9 45  1  0
 10 38  1  0
 11 18  1  0
 11 45  1  0
 12 38  1  0
 13 39  1  0
 14 20  2  0
 14 22  1  0
 15 39  1  0
 16 40  1  0
 17 40  1  0
 18 41  1  0
 19 43  1  0
 19 47  2  0
 20 26  1  0
 21 24  2  0
 22 27  2  0
 23 25  2  0
 24 25  1  0
 24 29  1  0
 25 48  1  0
 26 28  2  0
 27 28  1  0
 27 29  1  0
 28 30  1  0
 29 32  1  0
 29 49  1  0
 30 49  1  0
 30 50  2  0
 31 32  2  0
 31 34  1  0
 31 48  1  0
 32 33  1  0
 33 35  2  0
 34 36  2  0
 35 36  1  0
 36 51  1  0
 41 19  1  0
 43 20  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
M  RAD  8   1   3   2   3   3   3   4   3   5   2   7   3   9   3  10   3
M  RAD  8  11   3  12   3  13   3  14   2  15   3  16   3  17   3  18   3
M  RAD  8  21   2  22   2  23   2  26   2  33   2  34   2  35   2  37   2
M  RAD  7  41   2  43   2  51   2  52   2  53   3  54   3  55   2
M  END
$$$$
