BR1B8U -OEChem-04012116592D 55 59 0 1 0 0 0 0 0999 V2000 8.9694 0.1071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8717 1.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8717 3.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2752 0.4673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 0.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8104 -1.1800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3797 1.4618 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4662 1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0183 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9778 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9778 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7778 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7778 2.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 2.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 -2.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5046 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -3.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2478 -2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0399 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3473 2.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7762 2.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 0.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 3.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 4.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9869 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3887 2.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -1.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3887 2.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9869 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 0.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 1.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -3.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6335 -0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9599 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8374 -2.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5006 -3.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 3.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 11 2 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 14 37 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 31 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$