
     RDKit          3D

170176  0  0  0  0  0  0  0  0999 V2000
   -3.3442   -5.4128    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -4.2129   -0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5427   -3.5308   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3620   -2.1195   -0.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9707   -1.1579    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3409   -1.4838    1.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618    0.2969   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507    0.6020   -1.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040    1.3622    0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    1.4648    1.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6841    2.4822    0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768    2.9449   -0.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    2.9771    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    4.2553    1.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577    4.2184    1.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    3.7259    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616    2.2633    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897    1.6812    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    0.3478    0.4178 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511   -0.7049    0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605   -0.8602   -0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9855    0.0527   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612   -0.1165    1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1362   -0.0691    1.1583 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -1.3986    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0612   -1.7078    1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8613   -0.4875    1.5316 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1624   -0.4137    0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3143   -0.7957   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5708   -0.7435   -1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6868   -0.2721   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5306    0.0997    1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2825    0.0276    1.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1775    0.3604    2.9368 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9375   -0.1595   -0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9492    0.2262   -0.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0538   -0.4874   -2.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3301   -0.3299   -3.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3539    0.1463   -2.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4229   -0.7393   -4.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9160   -0.9504   -3.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7272   -1.1356   -2.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5936   -1.7016   -3.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1998   -3.0882   -2.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8969   -2.9404   -3.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2616    0.7106    2.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7579    0.5082    2.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.1307    0.1301 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717    1.2852    0.0319 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6936    1.1416    2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4209    2.3136    3.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2348    0.9080    2.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8550    2.1590    1.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4630    2.2237    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4851    2.6940   -0.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0209    3.0487   -1.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4951    1.8141   -2.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0892    4.1739   -1.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4186    4.4767   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4687    5.5124    0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9769    6.8702   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7616    5.2799   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7098    3.1561    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8195    2.5115   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0025    0.2605    3.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1297   -0.7414    4.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3235    1.3226    4.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3784   -0.3955    2.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5021   -1.7171    1.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6196   -2.8924    2.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4857   -1.4999    0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4034   -2.7910   -0.3386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7377   -3.3703   -0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4871   -2.7553   -1.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1816   -2.1889   -2.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8332   -4.1569   -1.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1919   -5.0448   -0.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2611   -4.1583   -1.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8274   -3.4085   -3.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8553   -5.5011   -2.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8709   -5.0984    1.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -5.8150    0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340   -6.2258    0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4687   -3.5065    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6761   -4.5421   -1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2087   -3.6496    0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2010    0.3951   -0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2676    0.4425   -1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -0.0588   -2.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5351    1.6475   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2349    2.3476    0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    2.6387    2.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719    4.5799    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042    5.0311    1.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980    3.6306    2.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708    5.2724    1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280    4.2892    0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466    3.9465   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    2.1698    0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0967   -1.6660    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548   -0.5129    1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -0.7025   -1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1268   -1.9171   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6905    1.1073   -0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7143   -0.1839   -0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3347   -1.0524    1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852    0.7219    1.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0182   -2.2427    1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8359   -1.4072   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9062   -2.1261    2.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5996   -2.4908    0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4288   -1.1029   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3766    0.4577    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2897   -0.6553   -4.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9932   -1.1726   -4.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7560   -1.0362   -3.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8421   -3.5371   -1.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -3.2974   -2.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9392   -3.3291   -3.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2266   -3.0750   -4.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7654    0.9323    3.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4009    1.5684    1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5863   -0.1572    3.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3161    1.5024    2.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2337    0.2524    2.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7300    3.2820    2.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9597    2.1930    4.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3401    2.3806    3.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2982    0.1731    1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8221    1.2326    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1710    3.4538   -2.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5741    2.0559   -3.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7650    0.9903   -2.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4848    1.4541   -2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0050    3.8709   -2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7029    5.0920   -2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4792    4.8725    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8154    7.0235   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0378    7.0726    0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7079    7.6253    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2495    4.3656   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6506    5.2279   -1.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4711    6.1035   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9204    3.3972    1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1690    1.8886    0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5750   -1.4297    3.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3818   -0.1942    4.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7497   -1.3205    4.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7940    0.9499    4.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9447   -0.5972    3.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9712    0.3877    2.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5435   -2.0687    2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5909   -2.7943    1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6212   -2.9836    3.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0337   -3.8490    1.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3808   -0.9192    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6362   -0.8887    0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6757   -4.2139   -1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4216   -2.6158   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1697   -3.7446    0.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6649   -2.0500   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5898   -1.1860   -2.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9970   -2.8515   -3.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4366   -2.0806   -3.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2553   -4.5560   -2.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1737   -5.9747   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7229   -3.4674   -3.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2922   -3.8628   -4.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1114   -2.3351   -3.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2697   -5.8768   -2.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  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  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 31 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 37 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 27 46  1  0
 46 47  1  0
 19 48  1  0
 48 49  2  0
  9 50  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 60 62  1  0
 59 63  1  0
 63 64  1  0
 52 65  1  0
 65 66  1  0
 65 67  1  0
 65 68  1  0
 68 69  1  0
 69 70  1  0
 69 71  1  0
 71 72  1  0
 72 73  1  0
 72 74  1  0
 74 75  1  0
 74 76  1  0
 76 77  1  0
 76 78  1  0
 78 79  1  0
 78 80  1  0
 78  3  1  0
 49 17  1  0
 63 54  1  0
 47 24  1  0
 33 28  1  0
 45 43  1  0
 42 30  1  0
  1 81  1  0
  1 82  1  0
  1 83  1  0
  2 84  1  0
  2 85  1  0
  3 86  1  0
  7 87  1  0
  8 88  1  0
  8 89  1  0
  8 90  1  0
  9 91  1  0
 13 92  1  0
 14 93  1  0
 14 94  1  0
 15 95  1  0
 15 96  1  0
 16 97  1  0
 16 98  1  0
 18 99  1  0
 20100  1  0
 20101  1  0
 21102  1  0
 21103  1  0
 22104  1  0
 22105  1  0
 23106  1  0
 23107  1  0
 25108  1  0
 25109  1  0
 26110  1  0
 26111  1  0
 29112  1  0
 32113  1  0
 40114  1  0
 41115  1  0
 43116  1  0
 44117  1  0
 44118  1  0
 45119  1  0
 45120  1  0
 46121  1  0
 46122  1  0
 47123  1  0
 47124  1  0
 50125  1  0
 51126  1  0
 51127  1  0
 51128  1  0
 52129  1  0
 54130  1  0
 56131  1  0
 57132  1  0
 57133  1  0
 57134  1  0
 58135  1  0
 58136  1  0
 59137  1  0
 61138  1  0
 61139  1  0
 61140  1  0
 62141  1  0
 62142  1  0
 62143  1  0
 63144  1  0
 64145  1  0
 66146  1  0
 66147  1  0
 66148  1  0
 67149  1  0
 68150  1  0
 68151  1  0
 69152  1  0
 70153  1  0
 70154  1  0
 70155  1  0
 71156  1  0
 71157  1  0
 73158  1  0
 73159  1  0
 73160  1  0
 74161  1  0
 75162  1  0
 75163  1  0
 75164  1  0
 76165  1  0
 77166  1  0
 79167  1  0
 79168  1  0
 79169  1  0
 80170  1  0
M  END
$$$$
