BAHS79 -OEChem-04022112093D 33 33 0 0 0 0 0 0 0999 V2000 2.8936 -0.2554 -0.1951 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 3.7291 -0.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 2.8179 0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.2050 0.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -0.7875 -1.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 -3.0127 0.3836 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4543 -2.6880 -1.6415 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 0.7098 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 2.0040 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 0.1963 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 -0.1207 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 0.3427 0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 2.4674 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0064 1.6368 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.5229 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 -0.8017 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 -1.7115 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 4.1243 -0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4119 -1.2460 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 -2.4283 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2446 -2.2486 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 0.9531 1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 -0.6858 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.1259 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 1.9436 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 -0.1312 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -1.6454 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7427 0.0108 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.6714 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 5.1538 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 4.1376 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 3.5168 -1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9148 -2.4814 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 19 1 0 0 0 0 4 33 1 0 0 0 0 5 19 2 0 0 0 0 6 20 3 0 0 0 0 7 21 3 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M END $$$$