B42HTI -OEChem-04022117363D 52 54 0 0 0 0 0 0 0999 V2000 -0.6045 2.8912 0.3330 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 -1.1277 -0.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 1.5878 0.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5784 -3.0685 0.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 -0.0495 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 0.3246 -0.1379 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -0.7075 -0.1952 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4445 -1.4193 0.0544 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9207 -0.1944 0.3337 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7416 -1.9120 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3304 -1.2170 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4575 1.1756 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 3.4410 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 1.2873 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1156 2.4233 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -0.0685 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 4.8681 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -0.1816 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3776 -0.9587 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0813 -1.4795 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7588 -4.2047 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3823 -3.4330 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 0.0931 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 5.6517 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 0.5181 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -2.2531 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 -2.5422 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 0.5558 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8653 -2.1812 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -1.1794 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7561 -1.8777 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2118 -0.8743 -1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1825 2.5994 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0282 0.8186 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 4.9437 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 5.3575 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -0.6165 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0338 -4.5035 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3949 -5.0703 -0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 -3.9901 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0287 -4.2879 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7599 -3.6914 2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0462 -2.6090 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 1.1152 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0028 5.6261 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 6.6977 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 5.2356 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 -1.5138 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 -3.0626 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5866 -3.5469 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9205 1.6096 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1072 -2.1775 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 16 2 0 0 0 0 3 25 2 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 34 1 0 0 0 0 6 14 1 0 0 0 0 6 25 1 0 0 0 0 6 37 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 52 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 15 33 1 0 0 0 0 17 24 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 18 28 1 0 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$