10996 -OEChem-03282409343D 16 15 0 0 0 0 0 0 0999 V2000 -1.2349 -0.3670 -0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -0.3330 0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4124 0.4316 0.0095 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 -0.3618 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 0.4975 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 0.4902 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -0.3576 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -1.0072 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 -1.0394 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 1.1508 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 1.1449 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 1.1177 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 1.1387 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -0.9922 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7308 -1.0027 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 0.2781 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END > 10996 > 0.6 > 1 35 5 14 28 33 7 4 9 31 12 34 21 27 17 23 32 36 22 16 13 11 2 25 6 24 10 20 18 26 19 30 29 15 8 3 > 4 1 -0.09 2 -0.3 3 0.12 6 0.28 > 4 > 1 1 7 hydrophobe > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00002AF400000001 > -0.0565 > 5.074 > 11062470 55 8646769997470765406 14325111 11 18410856564119399174 14390081 3 18343299266710459040 5460574 1 9223231844832574309 > 127.34 6.14 0.75 0.58 1.25 0.03 0 -0.69 -0.05 -0.12 0 -0.11 0.01 0 > 217.321 > 86.2 > 2 5 10 $$$$