TJ5 CCTOOLS-0919241034 40 42 0 0 1 0 0 0 0 0999 V2000 -0.6820 1.2470 -0.1930 C 0 0 0 0 0 3.0660 1.4210 -0.1810 C 0 0 0 0 0 2.3940 -0.8900 0.0430 C 0 0 0 0 0 4.8230 -0.3360 0.0100 C 0 0 0 0 0 7.4830 -1.1000 0.1100 C 0 0 0 0 0 7.1550 0.2370 -0.0250 C 0 0 0 0 0 5.8310 0.6230 -0.0760 C 0 0 0 0 0 -3.9520 -0.2850 -0.7840 C 0 0 0 0 0 -3.0250 0.7910 -0.1590 C 0 0 0 0 0 -3.6030 0.9650 1.2620 C 0 0 0 0 0 -5.3210 0.0800 -0.1570 C 0 0 0 0 0 -6.2270 -1.1240 -0.1390 C 0 0 0 0 0 0.7360 0.8390 -0.1390 C 0 0 0 0 0 1.7450 1.8020 -0.2320 C 0 0 0 0 0 3.3990 0.0730 -0.0430 C 0 0 0 0 0 1.0710 -0.5110 -0.0070 C 0 0 0 0 0 5.1600 -1.6830 0.1420 C 0 0 0 0 0 6.4870 -2.0580 0.1910 C 0 0 0 0 0 -5.0030 0.5050 1.2230 N 0 0 0 0 0 -6.8840 -1.4860 -1.2520 O 0 0 0 0 0 -6.3630 -1.7630 0.8770 O 0 0 0 0 0 -1.6530 0.3170 -0.1040 O 0 0 0 0 0 -0.9720 2.4200 -0.3130 O 0 0 0 0 0 3.8460 2.1650 -0.2520 H 0 0 0 0 0 2.6530 -1.9330 0.1450 H 0 0 0 0 0 8.5200 -1.3990 0.1490 H 0 0 0 0 0 7.9360 0.9800 -0.0880 H 0 0 0 0 0 5.5760 1.6680 -0.1820 H 0 0 0 0 0 -3.9820 -0.1910 -1.8690 H 0 0 0 0 0 -3.6410 -1.2870 -0.4890 H 0 0 0 0 0 -3.0870 1.7250 -0.7170 H 0 0 0 0 0 -3.0340 0.3620 1.9700 H 0 0 0 0 0 -3.5620 2.0150 1.5530 H 0 0 0 0 0 -5.7850 0.8970 -0.7080 H 0 0 0 0 0 1.4870 2.8450 -0.3420 H 0 0 0 0 0 0.2930 -1.2580 0.0550 H 0 0 0 0 0 4.3840 -2.4310 0.2050 H 0 0 0 0 0 6.7490 -3.1000 0.2960 H 0 0 0 0 0 -5.6310 1.2320 1.5310 H 0 0 0 0 0 -7.4530 -2.2660 -1.1920 H 0 0 0 0 0 1 22 1 0 0 0 1 23 2 0 0 0 2 14 2 0 0 0 2 24 1 0 0 0 3 16 1 0 0 0 3 25 1 0 0 0 4 15 1 0 0 0 5 6 2 0 0 0 5 18 1 0 0 0 5 26 1 0 0 0 6 7 1 0 0 0 6 27 1 0 0 0 7 4 2 0 0 0 7 28 1 0 0 0 8 9 1 0 0 0 8 29 1 0 0 0 8 30 1 0 0 0 9 31 1 0 0 0 10 9 1 0 0 0 10 32 1 0 0 0 10 33 1 0 0 0 11 8 1 0 0 0 11 19 1 0 0 0 11 34 1 0 0 0 12 11 1 0 0 0 13 1 1 0 0 0 14 13 1 0 0 0 14 35 1 0 0 0 15 3 2 0 0 0 15 2 1 0 0 0 16 13 2 0 0 0 16 36 1 0 0 0 17 4 1 0 0 0 17 37 1 0 0 0 18 17 2 0 0 0 18 38 1 0 0 0 19 10 1 0 0 0 19 39 1 0 0 0 20 12 1 0 0 0 20 40 1 0 0 0 21 12 2 0 0 0 22 9 1 0 0 0 M END $$$$