19754 -OEChem-10201915423D 15 14 0 0 0 0 0 0 0999 V2000 1.3780 -0.7517 -0.0045 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 -0.4998 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 0.3291 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 0.3937 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 0.5287 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4021 -1.1626 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 -1.1327 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 0.9521 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 0.9847 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 1.0194 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 -0.2150 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 1.0490 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5622 1.1489 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5745 1.1554 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 0.0553 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 M END > 19754 > 0.4 > 1 5 7 4 3 6 2 > 3 1 -0.46 3 0.23 5 0.23 > 2 > 2 1 4 hydrophobe 1 5 hydrophobe > 5 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00004D2A00000001 > 2.1995 > 10.149 > 139733 1 9367340435859788527 14390081 3 18344143704541291152 16714656 1 18272370875477523245 20096714 4 18341049700569606098 29004967 10 17385730179148687240 5460574 1 9295289439002371047 > 106.75 4.08 0.91 0.63 0.11 0.08 0 -0.8 0.02 -0.2 0 -0.02 0.01 0 > 164.287 > 77.5 > 2 5 10 $$$$