B4X3EA -OEChem-04022103403D 52 55 0 0 0 0 0 0 0999 V2000 -1.0689 -2.4938 1.5035 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4083 -0.0971 2.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1247 2.2574 -1.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 2.7945 1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 0.2069 -1.9293 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 1.7795 -0.3778 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8985 -0.0115 -1.2989 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 0.7730 -2.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 0.1010 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6192 0.9938 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9074 -0.8620 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 0.8187 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -1.2576 -2.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5676 1.0600 1.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9971 -0.4188 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.0326 -1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 0.3489 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 1.9464 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 1.3400 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -1.9618 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 0.6448 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 -3.2596 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 -1.4299 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 0.1897 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 0.4567 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3035 -3.6705 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8758 -0.4535 2.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 -0.1865 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9828 -0.6415 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 1.7934 -2.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 0.1811 -3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3394 -0.9645 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5257 -1.8456 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 -1.5435 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -1.5861 -2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 1.1168 2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2007 1.9516 1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7121 -1.2328 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5555 0.4457 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 -0.3977 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 -0.1679 -1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 2.4035 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 1.8992 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 2.0951 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 -3.8652 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 -0.4738 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 0.3286 2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 0.8052 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7957 -4.6050 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8984 -0.8084 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8153 -0.3334 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8674 -1.1425 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 13 20 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$