LQE CCTOOLS-0919241031 55 58 0 0 1 0 0 0 0 0999 V2000 -3.7540 0.1950 0.1150 C 0 0 0 0 0 -3.6050 -1.1170 0.5030 C 0 0 0 0 0 -2.5980 1.0360 -0.3480 C 0 0 0 0 0 -5.9690 -1.2660 0.9320 C 0 0 0 0 0 -0.1430 1.1740 -0.6580 C 0 0 0 0 0 -6.4900 2.6200 -0.1890 C 0 0 0 0 0 1.2030 0.5000 -0.3900 C 0 0 0 0 0 1.1250 -0.9560 -0.8600 C 0 0 0 0 0 0.0700 -3.0820 -0.3960 C 0 0 0 0 0 2.3050 1.2310 -1.1600 C 0 0 0 0 0 3.6440 0.6420 -0.7980 C 0 0 0 0 0 4.3590 1.1560 0.2660 C 0 0 0 0 0 4.1540 -0.4150 -1.5290 C 0 0 0 0 0 5.5920 0.6140 0.5990 C 0 0 0 0 0 5.3830 -0.9570 -1.1990 C 0 0 0 0 0 6.1040 -0.4430 -0.1390 C 0 0 0 0 0 7.5590 0.5110 1.9300 C 0 0 0 0 0 -5.0180 0.7810 0.1400 C 0 0 0 0 0 -2.2700 -1.8080 0.5120 C 0 0 0 0 0 -4.7160 -1.8460 0.9090 C 0 0 0 0 0 -1.2600 0.4200 0.0710 C 0 0 0 0 0 -6.1230 0.0520 0.5460 C 0 0 0 0 0 -5.1680 2.0790 -0.2370 O 0 0 0 0 0 -1.2530 -1.0540 -0.3500 C 0 0 0 0 0 0.0720 -1.6420 -0.1060 N 0 0 0 0 0 6.2980 1.1180 1.6450 O 0 0 0 0 0 -2.6280 1.1180 -1.4340 H 0 0 0 0 0 -2.6840 2.0320 0.0870 H 0 0 0 0 0 -6.8260 -1.8410 1.2480 H 0 0 0 0 0 -0.1100 2.2040 -0.3020 H 0 0 0 0 0 -0.3440 1.1680 -1.7290 H 0 0 0 0 0 -6.8670 2.5660 0.8320 H 0 0 0 0 0 -6.4680 3.6600 -0.5140 H 0 0 0 0 0 -7.1410 2.0470 -0.8480 H 0 0 0 0 0 1.4190 0.5290 0.6780 H 0 0 0 0 0 0.8910 -0.9840 -1.9240 H 0 0 0 0 0 2.0820 -1.4470 -0.6840 H 0 0 0 0 0 -0.1960 -3.2420 -1.4410 H 0 0 0 0 0 1.0620 -3.4920 -0.2070 H 0 0 0 0 0 -0.6570 -3.5810 0.2440 H 0 0 0 0 0 2.1360 1.1180 -2.2300 H 0 0 0 0 0 2.2900 2.2890 -0.8990 H 0 0 0 0 0 3.9590 1.9800 0.8390 H 0 0 0 0 0 3.5920 -0.8180 -2.3580 H 0 0 0 0 0 5.7790 -1.7840 -1.7710 H 0 0 0 0 0 7.0640 -0.8670 0.1180 H 0 0 0 0 0 8.0160 1.0070 2.7860 H 0 0 0 0 0 7.4110 -0.5450 2.1580 H 0 0 0 0 0 8.2130 0.6070 1.0630 H 0 0 0 0 0 -1.9010 -1.8610 1.5360 H 0 0 0 0 0 -2.3890 -2.8190 0.1220 H 0 0 0 0 0 -4.5990 -2.8760 1.2110 H 0 0 0 0 0 -1.1350 0.5000 1.1510 H 0 0 0 0 0 -7.1000 0.5110 0.5630 H 0 0 0 0 0 -1.5200 -1.1410 -1.4030 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 19 1 0 0 0 3 21 1 0 0 0 3 27 1 0 0 0 3 28 1 0 0 0 4 20 1 0 0 0 4 29 1 0 0 0 5 7 1 0 0 0 5 30 1 0 0 0 5 31 1 0 0 0 6 23 1 0 0 0 6 32 1 0 0 0 6 33 1 0 0 0 6 34 1 0 0 0 7 8 1 0 0 0 7 10 1 0 0 0 7 35 1 0 0 0 8 36 1 0 0 0 8 37 1 0 0 0 9 38 1 0 0 0 9 39 1 0 0 0 9 40 1 0 0 0 10 41 1 0 0 0 10 42 1 0 0 0 11 10 1 0 0 0 11 13 2 0 0 0 12 11 1 0 0 0 12 43 1 0 0 0 13 44 1 0 0 0 14 12 2 0 0 0 14 16 1 0 0 0 15 13 1 0 0 0 15 45 1 0 0 0 16 15 2 0 0 0 16 46 1 0 0 0 17 26 1 0 0 0 17 47 1 0 0 0 17 48 1 0 0 0 17 49 1 0 0 0 18 1 2 0 0 0 19 24 1 0 0 0 19 50 1 0 0 0 19 51 1 0 0 0 20 2 2 0 0 0 20 52 1 0 0 0 21 24 1 0 0 0 21 5 1 0 0 0 21 53 1 0 0 0 22 4 2 0 0 0 22 18 1 0 0 0 22 54 1 0 0 0 23 18 1 0 0 0 24 25 1 0 0 0 24 55 1 0 0 0 25 9 1 0 0 0 25 8 1 0 0 0 26 14 1 0 0 0 M END $$$$