BL9F0X -OEChem-04042104273D 49 52 0 0 0 0 0 0 0999 V2000 -1.0038 -1.0732 -0.3689 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3299 -1.8691 1.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 2.5475 3.1483 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5710 0.4959 3.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -1.6041 -1.5297 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 -2.6705 -0.7763 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -3.0106 -0.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -0.1914 -0.0846 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 1.6164 2.5122 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9613 2.0131 -1.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -0.0554 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3951 -0.9649 -2.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7241 1.0351 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 -1.2323 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 -2.1395 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 0.8177 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 2.2728 -1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.1792 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 1.8379 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8734 3.2928 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1432 -1.8292 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -3.1031 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 3.0755 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5994 -2.9005 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -1.3148 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 0.5123 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 1.5900 -1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 0.1110 0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2886 2.2666 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3069 0.7876 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4034 1.8656 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 -0.6689 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 0.3738 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 -1.7941 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 -0.4033 -3.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6283 -0.3924 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5456 -0.1523 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7746 2.4539 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 4.2561 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 -3.8923 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 3.8931 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1504 -3.5153 2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9859 0.1562 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1059 -0.7063 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 3.1081 -1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1756 0.4774 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3464 2.3925 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0598 2.7981 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 1.5519 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 25 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 7 15 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 43 1 0 0 0 0 9 19 1 0 0 0 0 10 27 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$