B2PIR9 -OEChem-04042105293D 29 31 0 0 0 0 0 0 0999 V2000 5.1791 -0.3583 -0.8172 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7952 2.4021 0.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 -1.7485 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 -1.0168 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 -0.9560 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 0.3807 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 0.4486 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 1.1882 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3549 -1.6216 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 0.9373 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 1.1693 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -0.9005 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 0.3448 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5225 0.4922 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5307 -0.3794 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 0.4433 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 -0.8253 0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -1.9217 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 -2.7279 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 -0.9659 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2051 -1.6046 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 -2.7080 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 1.9578 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 2.2559 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4995 -1.4255 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4532 1.0520 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 -0.5747 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 0.9382 -1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 -1.4032 1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$