
     RDKit          3D

 57 60  0  0  0  0  0  0  0  0999 V2000
    7.3480    0.3970    1.1267 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215   -0.9113    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5254   -1.1569    0.6684 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2904   -2.4866    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -2.9998    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8576   -4.1891   -0.3073 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -2.1513    0.1060 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605   -1.1956    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555   -1.0633    1.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508   -0.6002    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002    0.9551    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037    1.5511   -0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9863    3.0329   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496    3.2458   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948    2.5900   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727    2.9851   -2.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335    2.3135   -2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4348    1.2451   -2.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2008    0.8646   -1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2442    1.5421   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0351    1.2224    1.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3482   -0.0236    1.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4452   -1.1350    1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072   -0.6572    1.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303   -1.2363    0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871   -2.2948   -0.3457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -1.0205   -1.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -2.3102   -0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4169   -3.3000    0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7406   -2.3199    0.9630 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7129    1.2294    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3796    0.5419    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -0.2055    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   -1.5508    2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003   -2.0611    1.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8918   -0.3710    2.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4607    1.2469    1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082    1.4269    0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    1.4944   -1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4981    0.9497   -1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054    3.5293   -1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941    3.5491   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5505    4.3373   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795    2.8808    0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2238    3.7977   -2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9227    2.6140   -3.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1697    0.7188   -2.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7829    0.0552   -0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4177   -0.2851    1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1688    0.0940    2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765   -1.9962    1.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8123   -1.4695    0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970   -0.2296   -1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -1.1289   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232   -3.1618   -0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -2.5261   -1.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4465   -4.3733    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 10 27  1  0
 27 28  1  0
  4 29  2  0
 29 30  1  0
 30  2  1  0
 28  7  1  0
 25 10  1  0
 20 15  1  0
  1 31  1  0
  1 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  0
 12 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 27 53  1  0
 27 54  1  0
 28 55  1  0
 28 56  1  0
 29 57  1  0
M  END
$$$$
