TIJ CCTOOLS-0919241034 46 50 0 0 0 0 0 0 0 0999 V2000 4.5280 -2.2230 0.3260 C 0 0 0 0 0 6.1970 -0.3780 1.5330 C 0 0 0 0 0 2.3920 1.3070 -0.7840 C 0 0 0 0 0 2.7070 3.6450 -0.3570 C 0 0 0 0 0 1.0260 1.4510 -0.4910 C 0 0 0 0 0 -3.1380 0.4050 0.2060 C 0 0 0 0 0 -5.3310 1.1010 0.8960 C 0 0 0 0 0 -5.8360 -0.1650 0.6210 C 0 0 0 0 0 -2.7250 -1.9030 -0.5870 C 0 0 0 0 0 -1.3750 -1.5360 -0.7690 C 0 0 0 0 0 -0.9750 -0.2580 -0.4610 C 0 0 0 0 0 0.4340 0.1110 -0.6560 C 0 0 0 0 0 1.4510 -0.7190 -1.0250 C 0 0 0 0 0 3.9110 -0.5870 -1.4650 C 0 0 0 0 0 4.6680 -0.9590 -0.2160 C 0 0 0 0 0 5.2190 -2.5630 1.4740 C 0 0 0 0 0 6.0530 -1.6400 2.0780 C 0 0 0 0 0 5.5020 -0.0370 0.3870 C 0 0 0 0 0 3.2260 2.4190 -0.7130 C 0 0 0 0 0 1.3580 3.7850 -0.0680 C 0 0 0 0 0 0.5160 2.6960 -0.1320 C 0 0 0 0 0 -3.9900 1.3860 0.6910 C 0 0 0 0 0 -5.0020 -1.1560 0.1380 C 0 0 0 0 0 -3.6460 -0.8740 -0.0730 C 0 0 0 0 0 2.6120 -0.0180 -1.0970 N 0 0 0 0 0 -3.1150 -3.0310 -0.8460 O 0 0 0 0 0 -1.8290 0.6670 0.0070 O 0 0 0 0 0 -6.1580 2.0670 1.3710 O 0 0 0 0 0 -5.4930 -2.3920 -0.1310 O 0 0 0 0 0 3.8760 -2.9440 -0.1460 H 0 0 0 0 0 6.8480 0.3420 2.0040 H 0 0 0 0 0 3.3580 4.5050 -0.3030 H 0 0 0 0 0 -6.8830 -0.3750 0.7860 H 0 0 0 0 0 -0.6600 -2.2550 -1.1440 H 0 0 0 0 0 1.3500 -1.7750 -1.2250 H 0 0 0 0 0 4.4820 0.1490 -2.0300 H 0 0 0 0 0 3.7580 -1.4760 -2.0760 H 0 0 0 0 0 5.1060 -3.5490 1.9000 H 0 0 0 0 0 6.5950 -1.9070 2.9730 H 0 0 0 0 0 5.6150 0.9490 -0.0390 H 0 0 0 0 0 4.2780 2.3210 -0.9360 H 0 0 0 0 0 0.9650 4.7520 0.2100 H 0 0 0 0 0 -0.5340 2.8080 0.0930 H 0 0 0 0 0 -3.6080 2.3720 0.9090 H 0 0 0 0 0 -6.2180 2.0950 2.3360 H 0 0 0 0 0 -5.8160 -2.4980 -1.0370 H 0 0 0 0 0 1 30 1 0 0 0 2 18 2 0 0 0 2 17 1 0 0 0 2 31 1 0 0 0 3 19 2 0 0 0 3 5 1 0 0 0 4 20 2 0 0 0 4 32 1 0 0 0 5 21 2 0 0 0 6 22 1 0 0 0 7 28 1 0 0 0 8 7 1 0 0 0 8 33 1 0 0 0 9 24 1 0 0 0 10 9 1 0 0 0 10 11 2 0 0 0 10 34 1 0 0 0 11 27 1 0 0 0 12 5 1 0 0 0 12 11 1 0 0 0 13 12 2 0 0 0 13 35 1 0 0 0 14 25 1 0 0 0 14 36 1 0 0 0 14 37 1 0 0 0 15 14 1 0 0 0 15 1 2 0 0 0 16 1 1 0 0 0 16 38 1 0 0 0 17 16 2 0 0 0 17 39 1 0 0 0 18 15 1 0 0 0 18 40 1 0 0 0 19 4 1 0 0 0 19 41 1 0 0 0 20 42 1 0 0 0 21 20 1 0 0 0 21 43 1 0 0 0 22 7 2 0 0 0 22 44 1 0 0 0 23 8 2 0 0 0 24 6 2 0 0 0 24 23 1 0 0 0 25 13 1 0 0 0 25 3 1 0 0 0 26 9 2 0 0 0 27 6 1 0 0 0 28 45 1 0 0 0 29 23 1 0 0 0 29 46 1 0 0 0 M END $$$$