B5HI3A -OEChem-04022108382D 46 49 0 1 0 0 0 0 0999 V2000 8.6218 2.1286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 0.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -3.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6218 2.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6218 2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.9407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 -1.9407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.9407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 3.1286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3479 -1.4407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8777 -0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 -1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -1.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 -2.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 -0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6257 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5197 -0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -3.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5278 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1872 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 0.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 0.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 -3.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 -3.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 -3.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -4.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3637 -3.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0659 0.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -0.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1537 3.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0798 3.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 7 18 1 0 0 0 0 7 20 2 0 0 0 0 8 19 2 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 27 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$