B5HDA2 -OEChem-04022105223D 29 30 0 0 0 0 0 0 0999 V2000 4.7143 -1.8633 0.0076 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -3.0766 -1.0940 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2886 -3.0961 1.0805 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 2.7506 0.0158 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 3.3345 1.0993 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 3.3583 -1.0750 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 1.5124 -0.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1778 -1.8215 0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -0.6288 -0.0197 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 -1.6309 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8562 -0.6012 0.0195 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0491 1.6607 -0.0185 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -0.3610 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -1.1453 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 1.2258 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 0.9584 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 -1.4129 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 0.1740 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -2.2699 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 2.6366 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 0.2892 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6433 -0.3078 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8896 0.3147 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 1.8193 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -2.4433 -0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 0.3824 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -1.6153 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2694 2.3111 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9684 2.0915 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 21 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 9 21 1 0 0 0 0 9 27 1 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 23 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$