YLPLIN0177
     RDKit          3D

 93 95  0  0  1  0  0  0  0  0999 V2000
    4.3928    3.4054    7.5369 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0397    3.2846    6.3180 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0155    3.4296    7.5930 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2842    3.1619    5.1345 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2764    3.3469    6.4381 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8948    3.2029    5.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939    2.1713   -2.1145 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5724    1.7432   -3.1153 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1908    2.4301   -0.8251 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1184    2.6420  -10.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    1.5708   -2.8642 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4548    1.7466    3.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103    1.5241   -9.9671 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9772    0.4559    3.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493    2.1964   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    1.8042   -1.5808 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2786    1.5048    1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    0.4061   -9.1843 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1642   -0.3749   -7.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -0.5966   -4.8098 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6040   -0.3122   -2.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181   -1.1337    1.1785 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1869   -4.2736    2.9492 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6566   -3.3118    2.8693 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5588    0.0535    2.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097   -0.9481   -9.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131   -0.3752   -6.3441 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0180   -0.2022    0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254   -2.1974    2.2770 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6672   -3.7943    3.1089 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2133   -1.8573    2.8106 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1476   -0.6771   -1.1316 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0265   -1.4690   -0.9129 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2247   -2.3871   -0.5054 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3477   -3.2842    0.1262 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4103   -4.2295    0.8239 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0494   -4.3363    3.5777 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6357   -2.7142    6.4198 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2686   -1.7365    6.5760 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5835    0.1363    5.6776 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0416   -1.2051    4.9060 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.6425   -5.2572    2.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568   -3.3350    4.6873 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0944   -0.4761    6.2407 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3237   -2.5412    4.2269 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1066   -2.6190    6.0192 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0711    0.3979    5.8499 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6975   -2.9274   -2.3679 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1013   -3.9119    2.4534 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1243   -2.5394   -3.8003 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.0920   -3.5417    0.6057 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8981   -2.0886   -5.2341 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2463   -2.8589   -2.2471 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8388   -3.0611   -0.8216 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7059   -3.8052    3.1270 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3058    0.7443   -6.5370 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0916    2.6171   -5.5148 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9404    3.5165   -0.8825 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4966    4.3871    1.0868 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0327   -0.6031   -6.5551 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6491    3.4860   -4.3557 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5606    3.8868   -2.2311 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7030    3.8484  -10.7448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    3.2313    3.6827 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812    0.2912    4.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0814    2.2855  -11.6298 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.6042   -1.2433   -8.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3277    0.6599   -2.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894   -0.1850    0.0258 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.2238    2.5957    1.0780 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3821   -1.7385  -10.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8287   -3.1767    3.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918   -0.5260    2.7164 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682    0.6773   -8.2930 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1648   -1.1848   -3.5166 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.1145   -4.5429    2.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782   -0.4465    1.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087   -1.0734   -8.5050 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8929    0.5174   -0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852   -5.0824    1.3292 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.3933   -2.4677    5.6747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495    0.6423    5.9598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974   -2.8430    6.9071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8830   -0.0434    5.4895 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.1436    3.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5612   -2.7454   -2.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4759   -3.7194    3.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3757   -2.9529   -2.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2611   -4.0499    1.8093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7105   -1.7443   -6.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0929    4.2773   -3.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6561    1.9056   -6.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4078    3.2076    0.2942 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  2  0
  5  6  1  0
  6 64  1  0
  7  8  2  0
  7  9  1  0
  8 11  1  0
  9 15  2  0
 10 13  1  0
 10 63  2  0
 10 66  1  0
 11 16  2  0
 12 14  1  0
 12 17  2  0
 12 64  1  0
 14 65  2  0
 14 73  1  0
 15 16  1  0
 15 70  1  0
 17 25  1  0
 17 70  1  0
 18 13  1  0
 18 26  1  0
 18 74  1  0
 19 27  1  0
 19 67  2  0
 19 74  1  0
 20 27  1  0
 20 75  1  0
 21 32  1  0
 21 68  2  0
 21 75  1  0
 22 28  1  0
 22 29  1  0
 23 30  1  0
 23 76  1  0
 24 31  1  0
 24 76  1  0
 25 73  1  0
 25 77  2  0
 26 71  2  0
 26 78  1  0
 28 69  1  0
 28 79  2  0
 29 72  1  0
 30 72  1  0
 31 73  1  0
 32 33  1  0
 32 69  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 80  1  0
 37 42  1  0
 37 43  1  0
 38 46  1  0
 38 83  1  0
 39 44  1  0
 39 83  1  0
 40 47  1  0
 40 84  1  0
 41 45  1  0
 41 84  1  0
 42 80  1  0
 42 85  2  0
 43 81  1  0
 44 82  1  0
 45 87  1  0
 46 81  1  0
 47 82  1  0
 48 53  1  0
 48 88  1  0
 49 55  1  0
 49 89  1  0
 50 52  1  0
 50 88  1  0
 51 54  1  0
 51 89  1  0
 52 90  1  0
 53 86  1  0
 54 86  1  0
 55 87  1  0
 56 60  1  0
 56 92  1  0
 57 61  1  0
 57 92  1  0
 58 62  1  0
 58 93  1  0
 59 93  1  0
 60 90  1  0
 61 91  1  0
 62 91  1  0
M  RAD  8   1   2   2   2   3   2   4   2   5   2   7   2   8   2   9   2
M  RAD  8  11   2  13   3  16   2  18   2  20   3  22   3  23   3  24   3
M  RAD  8  27   3  29   3  30   3  31   3  32   2  33   3  34   3  35   3
M  RAD  8  36   3  37   3  38   3  39   3  40   3  41   3  43   3  44   3
M  RAD  8  45   3  46   3  47   3  48   3  49   3  50   3  51   3  52   3
M  RAD  8  53   3  54   3  55   3  56   3  57   3  58   3  59   2  60   3
M  RAD  8  61   3  62   3  66   2  69   2  74   2  75   2  78   2  80   2
M  END
$$$$
