BO3H5Q -OEChem-04042104193D 56 57 0 0 0 0 0 0 0999 V2000 -5.9504 1.4398 -0.6362 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.9363 -0.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -3.6284 -0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3597 2.7684 -0.5958 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7681 1.0413 -1.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 2.7266 -0.0640 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5302 2.1173 1.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 0.0303 0.6274 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -2.5732 0.9945 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 1.8681 0.6833 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1461 -1.6831 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 -3.0522 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 0.8354 1.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -1.2264 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -3.4784 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 2.1978 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 0.5450 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -1.6899 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 0.2527 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 -2.7251 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 2.0948 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 0.5666 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.2041 -1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 1.3804 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 -0.4047 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -2.0038 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8893 -1.0325 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 0.6986 -2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 1.8751 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9263 1.2574 0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 1.5340 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -0.9323 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 -1.7454 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 -3.8110 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 -3.0349 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 0.9482 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 0.3371 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -4.4827 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -3.5160 2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 2.7480 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 2.8061 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 -1.8313 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1578 1.6136 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9118 1.5258 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 3.0946 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 -0.3651 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 1.6563 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5282 -0.1254 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 -3.0013 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8244 -1.3065 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5987 0.4501 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 2.5231 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 1.9705 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3069 1.4701 1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 0.2394 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1999 1.9223 -1.9187 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 19 1 0 0 0 0 1 30 1 0 0 0 0 2 14 2 0 0 0 0 3 20 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 42 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 22 2 0 0 0 0 19 27 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 24 29 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 31 2 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$