PKE CCTOOLS-0919241032 52 55 0 0 0 0 0 0 0 0999 V2000 -1.7290 0.6070 0.0490 C 0 0 0 0 0 2.9320 1.1240 -0.8430 C 0 0 0 0 0 4.2080 1.4180 -0.0970 C 0 0 0 0 0 4.7460 2.6920 -0.1010 C 0 0 0 0 0 5.9230 2.9170 0.6000 C 0 0 0 0 0 6.5190 1.8710 1.2750 C 0 0 0 0 0 4.8590 0.4110 0.6100 C 0 0 0 0 0 6.2500 -2.8150 0.3800 C 0 0 0 0 0 -4.0940 0.4670 0.5000 C 0 0 0 0 0 -5.7710 0.9020 -1.1610 C 0 0 0 0 0 -6.3250 -0.3430 0.8130 C 0 0 0 0 0 -0.5000 0.8420 0.4840 N 0 0 0 0 0 -1.9800 0.3740 -1.2310 N 0 0 0 0 0 -1.0040 0.3730 -2.1270 C 0 0 0 0 0 0.2920 0.6180 -1.7160 C 0 0 0 0 0 0.5260 0.8560 -0.3600 C 0 0 0 0 0 1.8100 1.1060 0.0980 N 0 0 0 0 0 -2.7760 0.5990 0.9550 N 0 0 0 0 0 5.9840 0.6650 1.2620 N 0 0 0 0 0 4.3270 -0.8730 0.6270 N 0 0 0 0 0 4.8600 -2.0050 -0.4570 S 0 0 0 0 0 3.2940 -1.2240 1.6050 C 0 0 0 0 0 5.3210 -1.2410 -1.5630 O 0 0 0 0 0 3.7670 -2.9030 -0.5920 O 0 0 0 0 0 -5.0300 -0.2210 1.2630 C 0 0 0 0 0 -4.4730 1.0270 -0.7130 C 0 0 0 0 0 -6.7130 0.2140 -0.3990 C 0 0 0 0 0 -7.5530 -1.0100 1.3890 C 0 0 0 0 0 -8.6310 -0.7500 0.3580 C 0 0 0 0 0 -8.0670 -0.0420 -0.6350 N 0 0 0 0 0 -9.7870 -1.1120 0.4180 O 0 0 0 0 0 2.7650 1.8960 -1.5940 H 0 0 0 0 0 3.0120 0.1530 -1.3320 H 0 0 0 0 0 4.2610 3.4940 -0.6370 H 0 0 0 0 0 6.3690 3.9010 0.6170 H 0 0 0 0 0 7.4350 2.0410 1.8220 H 0 0 0 0 0 5.9010 -3.2710 1.3060 H 0 0 0 0 0 6.6680 -3.5840 -0.2690 H 0 0 0 0 0 7.0180 -2.0750 0.6080 H 0 0 0 0 0 -6.0590 1.3410 -2.1050 H 0 0 0 0 0 -1.2190 0.1810 -3.1680 H 0 0 0 0 0 1.1050 0.6230 -2.4260 H 0 0 0 0 0 1.9650 1.2700 1.0410 H 0 0 0 0 0 -2.5970 0.6860 1.9040 H 0 0 0 0 0 2.3100 -1.1050 1.1530 H 0 0 0 0 0 3.4270 -2.2600 1.9180 H 0 0 0 0 0 3.3770 -0.5700 2.4730 H 0 0 0 0 0 -4.7420 -0.6590 2.2070 H 0 0 0 0 0 -3.7480 1.5620 -1.3080 H 0 0 0 0 0 -7.3860 -2.0810 1.5050 H 0 0 0 0 0 -7.8210 -0.5580 2.3440 H 0 0 0 0 0 -8.5440 0.2570 -1.4250 H 0 0 0 0 0 1 18 1 0 0 0 1 12 2 0 0 0 2 32 1 0 0 0 2 33 1 0 0 0 3 2 1 0 0 0 3 7 2 0 0 0 4 3 1 0 0 0 4 34 1 0 0 0 5 4 2 0 0 0 5 6 1 0 0 0 5 35 1 0 0 0 6 19 2 0 0 0 6 36 1 0 0 0 7 20 1 0 0 0 8 37 1 0 0 0 8 38 1 0 0 0 8 39 1 0 0 0 9 25 2 0 0 0 9 26 1 0 0 0 10 27 1 0 0 0 10 40 1 0 0 0 11 28 1 0 0 0 11 27 2 0 0 0 13 1 1 0 0 0 14 13 2 0 0 0 14 15 1 0 0 0 14 41 1 0 0 0 15 16 2 0 0 0 15 42 1 0 0 0 16 12 1 0 0 0 16 17 1 0 0 0 17 2 1 0 0 0 17 43 1 0 0 0 18 9 1 0 0 0 18 44 1 0 0 0 19 7 1 0 0 0 20 22 1 0 0 0 20 21 1 0 0 0 21 8 1 0 0 0 21 23 2 0 0 0 22 45 1 0 0 0 22 46 1 0 0 0 22 47 1 0 0 0 24 21 2 0 0 0 25 11 1 0 0 0 25 48 1 0 0 0 26 10 2 0 0 0 26 49 1 0 0 0 27 30 1 0 0 0 28 29 1 0 0 0 28 50 1 0 0 0 28 51 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 30 52 1 0 0 0 M END $$$$