
     RDKit          3D

 63 66  0  0  0  0  0  0  0  0999 V2000
    5.3858   -2.2570   -0.6303 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196   -1.3392   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944   -1.6577   -1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2799   -0.8451   -0.5416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2032   -1.3681    0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.4489    1.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    0.5089    0.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0841   -0.0533   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -0.9994    0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2651   -1.4012   -0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3352   -2.3612   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2983   -1.7226    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2397   -0.7196    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4547   -1.1717   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3711   -0.2673   -0.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875    1.0975   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8777    1.5626   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9308    0.6599    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800    1.0920    0.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2445    2.4490    0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    2.5025    0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864    2.3778   -0.3134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6990    1.1246   -0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    1.0154   -2.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260   -0.8296   -1.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1013    0.0056   -1.1553 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4293    0.3997   -0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4746    0.4367    0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3922    1.5842    1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0709    2.9789    0.1484 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7752    1.7783   -1.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9525    2.0452   -2.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571   -1.4213   -2.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -2.7461   -1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178   -1.4143    1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7823   -2.4000    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208   -1.0394    2.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    0.1090    2.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804   -1.9345    0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7337   -0.5060    1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7681   -0.5127   -1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.9131   -1.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272   -2.7616   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314   -3.2299    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491   -1.2669    1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8999   -2.5387    1.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6979   -2.2271   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3075   -0.6247   -1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8050    1.7975   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6906    2.6265   -0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7890    2.9652    1.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4558    2.9716   -0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950    3.4861    1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451    1.7259    1.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    3.2269   -0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819   -1.8747   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940   -0.3620   -2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    0.7313   -1.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995   -0.3021   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8447   -0.5283    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4578    0.6286    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1947    1.8827    2.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    1.2752    1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  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  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
  8 25  1  0
  2 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 25  4  1  0
 31 27  1  0
 23  8  1  0
 18 13  1  0
  3 33  1  0
  3 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  9 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 12 46  1  0
 14 47  1  0
 15 48  1  0
 16 49  1  0
 17 50  1  0
 20 51  1  0
 20 52  1  0
 21 53  1  0
 21 54  1  0
 22 55  1  0
 25 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 28 61  1  0
 29 62  1  0
 29 63  1  0
M  END
$$$$
