B9CR8E -OEChem-04022113463D 27 28 0 0 0 0 0 0 0999 V2000 -0.8862 -1.8036 -0.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -0.7194 -0.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -1.3626 1.2586 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 -1.4955 0.9903 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -0.6114 0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 2.1661 -1.7411 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 0.2523 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 -0.5188 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.2843 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3639 0.0214 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 1.5635 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 1.3327 0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 2.1036 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 0.1719 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 -1.9950 -1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7015 -0.0901 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 1.2693 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 2.1803 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 1.8185 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 3.1243 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 -2.2466 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -3.0618 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 -1.4482 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.6758 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4236 -0.8226 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7358 0.7674 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0142 0.1709 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 14 2 0 0 0 0 6 17 3 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$