B89EAT -OEChem-04022108413D 46 49 0 1 0 0 0 0 0999 V2000 -3.5089 -4.1781 1.5244 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 0.9543 -3.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 -0.6888 -3.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 2.3421 0.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 1.5048 -2.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -0.7221 -0.9018 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3592 0.3465 0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -0.1673 -0.3262 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5770 0.5680 -1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -1.2311 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -1.5294 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 -0.3937 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 0.4392 -2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 1.3631 -1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -0.6917 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.5731 1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8053 -1.8845 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 1.9965 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 -2.5686 1.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 -2.8802 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -0.1963 1.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -0.4021 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 -3.2222 1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 2.2808 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 2.8912 1.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2163 2.8769 1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 0.5779 2.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 0.8181 1.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 3.3697 2.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 0.5158 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 -2.2282 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -2.1484 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.0693 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8126 -1.6683 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -2.8342 3.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 -3.3930 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 1.4756 -3.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 -0.4014 2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -0.7662 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 2.0981 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9587 3.2488 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 0.9806 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 1.4162 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 4.1723 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5779 3.7574 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 2.5563 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 37 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 22 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 27 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$