B1XDJ2 -OEChem-04042107423D 40 40 0 1 0 0 0 0 0999 V2000 5.3291 -2.0416 1.4515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 -0.8517 1.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 1.9675 -1.4692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 2.5361 0.5443 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 0.9864 -0.0745 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -1.5826 -1.7917 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 -2.7085 -1.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2163 -2.1377 1.0564 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -1.1981 -0.5467 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1426 2.8152 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 1.5925 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 1.9693 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2831 -0.3648 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 2.1331 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 -2.4426 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 1.2983 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0311 0.7664 -1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6254 -0.6725 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6024 0.1617 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 -0.3702 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4701 -1.8564 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 -0.5823 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 3.2278 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 3.6000 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2877 1.6586 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 2.9237 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 2.6433 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.3046 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -3.0958 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4713 -3.0158 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7819 1.9404 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 0.9926 -1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 -0.0446 2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8205 -0.9834 -1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -0.7496 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -2.1513 -2.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 -2.8526 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9783 -2.5673 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1131 -3.5291 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -3.0008 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 37 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 9 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 21 2 0 0 0 0 8 40 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$