B4WAG1 -OEChem-04022115423D 49 52 0 1 0 0 0 0 0999 V2000 1.7905 1.4277 0.4930 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.9226 1.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 2.7113 -1.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8676 3.7854 0.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2214 -0.2847 0.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 0.0166 0.2719 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.2628 0.1609 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 -1.6832 0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3268 -3.9054 -0.2111 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -4.2754 -0.2015 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 1.2378 0.3970 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8362 1.8475 -0.9516 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1324 2.5639 -0.6295 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7935 1.6052 0.3524 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4662 0.7073 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 1.6557 1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 0.4028 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8879 1.1026 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 -0.1471 -1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 0.7873 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 -0.0340 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 0.5590 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 -1.2637 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1103 -2.0415 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 -3.4111 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -3.0237 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 1.9363 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 1.0593 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 2.7996 -1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 2.1273 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 -0.2251 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 2.6408 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 1.8085 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -0.3279 -1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 1.3139 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5889 1.8278 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9593 0.1919 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3267 -1.1312 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 -0.2956 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.3310 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3605 1.7207 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4832 1.0384 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -0.0616 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 3.1361 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 4.1893 0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7743 -0.9404 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 -3.4536 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -5.2668 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 -3.9090 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 44 1 0 0 0 0 4 13 1 0 0 0 0 4 45 1 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 21 2 0 0 0 0 7 24 1 0 0 0 0 8 23 2 0 0 0 0 8 26 1 0 0 0 0 9 25 1 0 0 0 0 9 26 2 0 0 0 0 10 25 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 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 22 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 47 1 0 0 0 0 M END $$$$