A1ER6
  CCTOOLS-0807261401

206219  0  0  1  0  0  0  0  0999 V2000
   22.5130   13.2380   34.8190 P   0  0  0  0  0
   23.1100   13.4960   36.1540 O   0  0  0  0  0
   23.3830   13.2900   33.6170 O   0  5  0  0  0
   21.7410   11.8350   34.8490 O   0  0  0  0  0
   20.8450   11.1130   35.9590 P   0  0  0  0  0
   20.3470    9.8240   35.4170 O   0  5  0  0  0
   21.6280   11.0890   37.2220 O   0  0  0  0  0
   19.6390   12.1630   36.0200 O   0  0  0  0  0
   18.9900   12.3710   37.3000 C   0  0  0  0  0
   17.7900   13.2740   37.1170 C   0  0  0  0  0
   16.6250   12.4620   36.8540 O   0  0  0  0  0
   15.4880   12.9400   37.5680 C   0  0  0  0  0
   12.7900   11.6810   28.1320 C   0  0  0  0  0
   14.1130   10.6200   29.9050 C   0  0  0  0  0
   11.6960   13.1910   26.5000 C   0  0  0  0  0
   11.7580   11.9360   27.2080 C   0  0  0  0  0
   11.5070   15.0350   24.8990 C   0  0  0  0  0
   15.8830   14.2920   38.1730 C   0  0  0  0  0
   15.5050   15.3620   37.3280 O   0  0  0  0  0
   17.4060   14.1480   38.3190 C   0  0  0  0  0
   18.0980   15.3900   38.2410 O   0  0  0  0  0
   14.4390   12.2140   29.7470 C   0  0  0  0  0
   12.5620   16.6790   26.4960 C   0  0  0  0  0
   13.1910   17.1770   27.6150 C   0  0  0  0  0
   13.6610   18.6270   27.7610 C   0  0  0  0  0
   14.5280   18.4800   29.0650 C   0  0  0  0  0
   13.9350   17.2200   29.7120 C   0  0  0  0  0
   14.0600   16.8230   31.0430 C   0  0  0  0  0
   14.3510   15.4740   31.3860 C   0  0  0  0  0
   15.0900   14.8390   32.5970 C   0  0  0  0  0
   15.4280   13.4150   31.9940 C   0  0  0  0  0
   14.2890   13.1570   30.9650 C   0  0  0  0  0
    8.6170   12.8370   30.8570 C   0  0  0  0  0
   21.0450   16.2150   33.2340 C   0  0  0  0  0
   15.6190   12.6640   28.8640 C   0  0  0  0  0
   15.3960    9.7970   30.1680 C   0  0  0  0  0
   13.0710   10.2350   31.0300 C   0  0  0  0  0
   12.7490    8.7630   31.2810 C   0  0  0  0  0
    7.6630   13.9000   30.2920 C   0  0  0  0  0
   10.2260    9.8650   33.5120 C   0  0  0  0  0
   11.6850   12.3090   39.5660 C   0  0  0  0  0
   21.4230   15.6920   34.6160 C   0  0  0  0  0
   13.3990   10.3280   28.5240 C   0  0  0  0  0
   14.1490    9.6730   27.3180 C   0  0  0  0  0
   13.9660    8.1540   27.1730 C   0  0  0  0  0
   14.9500    7.5010   26.2220 C   0  0  0  0  0
   10.7880   10.7900   26.9090 C   0  0  0  0  0
   11.3850   12.6250   24.0330 C   0  0  0  0  0
    9.3920   13.6400   25.3020 C   0  0  0  0  0
    8.5460   14.2000   24.1650 C   0  0  0  0  0
    8.6310   14.9510   29.7220 C   0  0  0  0  0
   20.6060   16.2340   35.7680 C   0  0  0  0  0
   12.4430   15.3440   23.7510 C   0  0  0  0  0
   12.0880   16.0210   22.6700 C   0  0  0  0  0
   12.9390   16.3760   21.5090 C   0  0  0  0  0
   12.4670   19.5730   28.0110 C   0  0  0  0  0
   14.4990   19.1310   26.5640 C   0  0  0  0  0
   16.0250   18.2940   29.0000 C   0  0  0  0  0
   16.9220   19.1690   29.4260 C   0  0  0  0  0
    9.9010   14.1470   29.3590 C   0  0  0  0  0
    9.5660   11.8960   32.9640 C   0  0  0  0  0
   13.8250   11.8440   39.1300 C   0  0  0  0  0
   18.3990   19.0310   29.3650 C   0  0  0  0  0
   14.0270   17.9110   32.1170 C   0  0  0  0  0
   14.1000   14.7800   33.8000 C   0  0  0  0  0
   16.3950   15.5610   33.0700 C   0  0  0  0  0
   17.3860   16.0920   32.0170 C   0  0  0  0  0
   18.6460   16.6540   32.6400 C   0  0  0  0  0
   11.2620   14.7590   29.7620 C   0  5  0  0  0
    9.8950   12.3930   34.2110 C   0  0  0  0  0
   13.8900   10.7810   40.0030 C   0  0  0  0  0
   15.8010   12.2610   32.9700 C   0  0  0  0  0
   17.2550   11.7930   32.9470 C   0  0  0  0  0
   10.4330   11.4900   35.1470 C   0  0  0  0  0
   12.7380   10.4230   40.7480 C   0  0  0  0  0
   10.9680   13.5800   25.1800 C   0  0  0  0  0
    9.1300   14.0370   33.1040 C   0  0  0  0  0
   15.8240   10.9350   39.1290 C   0  0  0  0  0
   12.1780   15.3830   26.2160 C   0  0  0  0  0
   10.7970   11.8350   36.3820 N   0  0  0  0  0
   10.5910   10.2030   34.7530 N   0  0  0  0  0
   11.6620   11.2600   40.4580 N   0  0  0  0  0
   13.2970   12.6280   28.8890 N   0  0  0  0  0
   12.3050   14.3250   27.0630 N   0  0  0  0  0
   13.3930   16.4230   28.7340 N   0  0  0  0  0
   14.0170   14.5410   30.5110 N   0  5  0  0  0
   13.3770    8.1220   32.2680 N   0  0  0  0  0
   10.5470   13.0100   39.4120 N   0  0  0  0  0
   14.5730    7.2740   24.9690 N   0  0  0  0  0
    9.7120   10.6250   32.5510 N   0  0  0  0  0
   12.7650   12.6460   38.8620 N   0  0  0  0  0
    8.0470   15.4320   24.2690 N   0  0  0  0  0
   12.3680   17.0740   20.5330 N   0  0  0  0  0
   19.1180   20.0310   29.8620 N   0  0  0  0  0
   19.7120   15.8400   32.7700 N   0  0  0  0  0
   17.4900   10.4870   33.0810 N   0  0  0  0  0
    9.6120   13.7480   34.2880 N   0  0  0  0  0
   15.1570   10.2110   39.9950 N   0  0  0  0  0
    9.0660   12.9600   32.2510 N   0  0  0  0  0
   15.0830   11.9420   38.5630 N   0  0  0  0  0
   11.8790    8.1950   30.6100 O   0  0  0  0  0
   16.0740    7.1880   26.6300 O   0  0  0  0  0
    8.3090   13.4960   23.1770 O   0  0  0  0  0
   21.2860   14.2450   34.5910 O   0  0  0  0  0
   14.1380   16.0370   21.4430 O   0  0  0  0  0
   18.9500   18.0240   28.8730 O   0  0  0  0  0
   18.6540   17.8340   33.0200 O   0  0  0  0  0
   18.1820   12.6060   32.8480 O   0  0  0  0  0
    9.7760   12.8840   30.0310 O   0  0  0  0  0
   12.6110    9.5050   41.5710 O   0  0  0  0  0
    6.8120   13.3400   29.3100 O   0  0  0  0  0
    8.0960   15.6140   28.5810 O   0  0  0  0  0
   13.0740   14.5290   28.8320 CO  0  0  0  0  0
   21.9910   13.2390   32.5640 H   0  0  0  0  0
   19.5610    9.3730   35.9540 H   0  0  0  0  0
   19.6320   12.7830   37.9350 H   0  0  0  0  0
   18.6970   11.5000   37.6740 H   0  0  0  0  0
   17.9580   13.8590   36.3340 H   0  0  0  0  0
   14.7250   13.0820   36.9120 H   0  0  0  0  0
   10.7220   15.6260   24.8110 H   0  0  0  0  0
   15.4640   14.3930   39.0650 H   0  0  0  0  0
   14.6780   15.5070   37.3820 H   0  0  0  0  0
   17.6220   13.6980   39.1790 H   0  0  0  0  0
   17.9910   15.8340   38.9470 H   0  0  0  0  0
   12.3190   17.3270   25.8510 H   0  0  0  0  0
   14.3290   19.2710   29.6270 H   0  0  0  0  0
   16.2200   13.5370   31.4090 H   0  0  0  0  0
   13.5070   12.8520   31.4760 H   0  0  0  0  0
    8.1840   11.9250   30.7340 H   0  0  0  0  0
   21.1210   17.1990   33.2370 H   0  0  0  0  0
   21.7030   15.8720   32.5850 H   0  0  0  0  0
   16.4630   12.5030   29.3260 H   0  0  0  0  0
   15.5460   13.6140   28.6490 H   0  0  0  0  0
   15.6270   12.1630   28.0320 H   0  0  0  0  0
   15.7080    9.9520   31.0750 H   0  0  0  0  0
   16.0980   10.0520   29.5470 H   0  0  0  0  0
   15.2130    8.8470   30.0540 H   0  0  0  0  0
   12.2170   10.6990   30.8360 H   0  0  0  0  0
   13.3940   10.6000   31.8890 H   0  0  0  0  0
    7.1300   14.2930   31.0230 H   0  0  0  0  0
   10.3550    8.9550   33.2850 H   0  0  0  0  0
   22.3770   15.9360   34.7520 H   0  0  0  0  0
   12.6180    9.7660   28.7150 H   0  0  0  0  0
   13.8310   10.0920   26.4860 H   0  0  0  0  0
   15.1100    9.8680   27.3850 H   0  0  0  0  0
   14.0630    7.7410   28.0440 H   0  0  0  0  0
   13.0660    7.9780   26.8630 H   0  0  0  0  0
   10.0050   11.1180   26.4490 H   0  0  0  0  0
   10.5110   10.3740   27.7400 H   0  0  0  0  0
   11.2300   10.1310   26.3510 H   0  0  0  0  0
   10.9840   11.7490   24.1710 H   0  0  0  0  0
   12.3570   12.5270   24.0190 H   0  0  0  0  0
   11.0770   12.9750   23.1730 H   0  0  0  0  0
    9.0710   12.7420   25.4600 H   0  0  0  0  0
    9.1820   14.1470   26.1030 H   0  0  0  0  0
    8.8400   15.6220   30.4230 H   0  0  0  0  0
   20.9210   15.8420   36.6000 H   0  0  0  0  0
   19.6690   16.0080   35.6390 H   0  0  0  0  0
   20.7030   17.2010   35.8100 H   0  0  0  0  0
   13.3380   15.0400   23.8110 H   0  0  0  0  0
   11.1900   16.3160   22.6200 H   0  0  0  0  0
   12.7920   20.4710   28.2300 H   0  0  0  0  0
   11.9290   19.2350   28.7540 H   0  0  0  0  0
   11.9090   19.6190   27.2100 H   0  0  0  0  0
   13.9160   19.2780   25.7920 H   0  0  0  0  0
   15.1700   18.4630   26.3250 H   0  0  0  0  0
   14.9440   19.9710   26.7950 H   0  0  0  0  0
   16.3440   17.4860   28.6230 H   0  0  0  0  0
   16.5970   19.9690   29.8110 H   0  0  0  0  0
    9.9100   13.9760   28.3900 H   0  0  0  0  0
   13.5570   18.6920   31.7860 H   0  0  0  0  0
   14.9340   18.1600   32.3540 H   0  0  0  0  0
   13.5660   17.5820   32.9030 H   0  0  0  0  0
   14.5270   14.3620   34.5710 H   0  0  0  0  0
   13.3070   14.2660   33.5560 H   0  0  0  0  0
   13.8280   15.6760   34.0500 H   0  0  0  0  0
   16.8900   14.9530   33.6550 H   0  0  0  0  0
   16.1370   16.3250   33.6240 H   0  0  0  0  0
   17.6250   15.3830   31.4050 H   0  0  0  0  0
   16.9550   16.7880   31.5000 H   0  0  0  0  0
   11.1980   15.6950   29.6480 H   0  0  0  0  0
   11.4120   14.5780   30.6770 H   0  0  0  0  0
   15.2340   11.4980   32.7810 H   0  0  0  0  0
   15.6030   12.5300   33.8810 H   0  0  0  0  0
    8.8470   14.9020   32.8620 H   0  0  0  0  0
   16.7280   10.7790   38.9140 H   0  0  0  0  0
   11.1280   11.2300   36.9290 H   0  0  0  0  0
   10.7080   12.6690   36.6500 H   0  0  0  0  0
   10.8990   11.0930   40.8930 H   0  0  0  0  0
   13.1640    7.2810   32.4550 H   0  0  0  0  0
   14.0150    8.5250   32.7390 H   0  0  0  0  0
   10.5260   13.6840   38.8490 H   0  0  0  0  0
    9.8220   12.8070   39.8650 H   0  0  0  0  0
   15.1400    6.8820   24.4110 H   0  0  0  0  0
   13.7680    7.5070   24.6690 H   0  0  0  0  0
    7.5300   15.7550   23.6240 H   0  0  0  0  0
    8.2280   15.9390   24.9770 H   0  0  0  0  0
   12.8520   17.2990   19.8280 H   0  0  0  0  0
   11.5170   17.3200   20.5690 H   0  0  0  0  0
   20.0010   19.9760   29.8390 H   0  0  0  0  0
   18.7380   20.7500   30.2140 H   0  0  0  0  0
   19.5860   14.9970   32.5620 H   0  0  0  0  0
   18.3250   10.1870   33.0850 H   0  0  0  0  0
   16.8220    9.9090   33.1790 H   0  0  0  0  0
    6.1970   12.8930   29.6710 H   0  0  0  0  0
    7.4820   16.1450   28.8020 H   0  0  0  0  0
  1  4  1  0  0  0
  2  1  2  0  0  0
  3  1  1  0  0  0
  3114  1  0  0  0
  4  5  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6115  1  0  0  0
  7  5  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9116  1  0  0  0
  9117  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 10118  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12100  1  0  0  0
 12119  1  0  0  0
 13 43  1  0  0  0
 13 83  2  0  0  0
 14 22  1  0  0  0
 14 37  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 84  1  0  0  0
 16 13  1  0  0  0
 17 79  1  0  0  0
 17120  1  0  0  0
 18121  1  0  0  0
 19 18  1  0  0  0
 19122  1  0  0  0
 20 18  1  0  0  0
 20123  1  0  0  0
 21 20  1  0  0  0
 21124  1  0  0  0
 22 32  1  0  0  0
 23 24  2  0  0  0
 23125  1  0  0  0
 24 25  1  0  0  0
 24 85  1  0  0  0
 25 56  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26126  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 64  1  0  0  0
 29 30  1  0  0  0
 30 65  1  0  0  0
 30 66  1  0  0  0
 31 30  1  0  0  0
 31 72  1  0  0  0
 31127  1  0  0  0
 32 31  1  0  0  0
 32128  1  0  0  0
 33 99  1  0  0  0
 33129  1  0  0  0
 34 42  1  0  0  0
 34130  1  0  0  0
 34131  1  0  0  0
 35 22  1  0  0  0
 35132  1  0  0  0
 35133  1  0  0  0
 35134  1  0  0  0
 36135  1  0  0  0
 36136  1  0  0  0
 36137  1  0  0  0
 37138  1  0  0  0
 37139  1  0  0  0
 38 37  1  0  0  0
 38 87  1  0  0  0
 39111  1  0  0  0
 39 33  1  0  0  0
 39140  1  0  0  0
 40 81  2  0  0  0
 40141  1  0  0  0
 41 82  1  0  0  0
 42104  1  0  0  0
 42 52  1  0  0  0
 42142  1  0  0  0
 43 14  1  0  0  0
 43143  1  0  0  0
 44 43  1  0  0  0
 44144  1  0  0  0
 44145  1  0  0  0
 45 44  1  0  0  0
 45146  1  0  0  0
 45147  1  0  0  0
 46 45  1  0  0  0
 47 16  1  0  0  0
 47148  1  0  0  0
 47149  1  0  0  0
 47150  1  0  0  0
 48 76  1  0  0  0
 48151  1  0  0  0
 48152  1  0  0  0
 48153  1  0  0  0
 49154  1  0  0  0
 49155  1  0  0  0
 50 49  1  0  0  0
 51 60  1  0  0  0
 51 39  1  0  0  0
 51156  1  0  0  0
 52157  1  0  0  0
 52158  1  0  0  0
 52159  1  0  0  0
 53 17  1  0  0  0
 53160  1  0  0  0
 54 53  2  0  0  0
 54161  1  0  0  0
 55105  2  0  0  0
 55 54  1  0  0  0
 56162  1  0  0  0
 56163  1  0  0  0
 56164  1  0  0  0
 57 25  1  0  0  0
 57165  1  0  0  0
 57166  1  0  0  0
 57167  1  0  0  0
 58 26  1  0  0  0
 58 59  2  0  0  0
 58168  1  0  0  0
 59169  1  0  0  0
 60 69  1  0  0  0
 60109  1  0  0  0
 60170  1  0  0  0
 61 70  1  0  0  0
 62 71  2  0  0  0
 63 59  1  0  0  0
 63 94  1  0  0  0
 64171  1  0  0  0
 64172  1  0  0  0
 64173  1  0  0  0
 65174  1  0  0  0
 65175  1  0  0  0
 65176  1  0  0  0
 66177  1  0  0  0
 66178  1  0  0  0
 67 68  1  0  0  0
 67 66  1  0  0  0
 67179  1  0  0  0
 67180  1  0  0  0
 68107  2  0  0  0
 68 95  1  0  0  0
 69181  1  0  0  0
 69182  1  0  0  0
 70 74  2  0  0  0
 71 98  1  0  0  0
 71 75  1  0  0  0
 72183  1  0  0  0
 72184  1  0  0  0
 73 72  1  0  0  0
 73 96  1  0  0  0
 74 80  1  0  0  0
 75110  2  0  0  0
 76 17  1  0  0  0
 76 49  1  0  0  0
 76 15  1  0  0  0
 77 97  2  0  0  0
 77185  1  0  0  0
 78 98  2  0  0  0
 78186  1  0  0  0
 79 84  2  0  0  0
 79 23  1  0  0  0
 80187  1  0  0  0
 80188  1  0  0  0
 81 74  1  0  0  0
 82 75  1  0  0  0
 82189  1  0  0  0
 83113  1  0  0  0
 83 22  1  0  0  0
 84113  1  0  0  0
 85 27  2  0  0  0
 86 32  1  0  0  0
 86 29  1  0  0  0
 87190  1  0  0  0
 87191  1  0  0  0
 88 41  1  0  0  0
 88192  1  0  0  0
 88193  1  0  0  0
 89 46  1  0  0  0
 89194  1  0  0  0
 89195  1  0  0  0
 90 61  2  0  0  0
 90 40  1  0  0  0
 91 62  1  0  0  0
 91 41  2  0  0  0
 92 50  1  0  0  0
 92196  1  0  0  0
 92197  1  0  0  0
 93 55  1  0  0  0
 93198  1  0  0  0
 93199  1  0  0  0
 94200  1  0  0  0
 94201  1  0  0  0
 95 34  1  0  0  0
 95202  1  0  0  0
 96203  1  0  0  0
 96204  1  0  0  0
 97 70  1  0  0  0
 99 61  1  0  0  0
 99 77  1  0  0  0
100 62  1  0  0  0
100 78  1  0  0  0
101 38  2  0  0  0
102 46  2  0  0  0
103 50  2  0  0  0
104  1  1  0  0  0
106 63  2  0  0  0
108 73  2  0  0  0
109 33  1  0  0  0
111205  1  0  0  0
112 51  1  0  0  0
112206  1  0  0  0
113 85  1  0  0  0
113 69  1  0  0  0
113 86  1  0  0  0
M  CHG  1   3  -1
M  CHG  1   6  -1
M  CHG  1  69  -1
M  CHG  1  86  -1
M  END
$$$$
