2164 -OEChem-03282412343D 34 34 0 0 0 0 0 0 0999 V2000 0.3250 -1.3519 -2.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0855 1.3870 1.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -1.3547 1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0547 -1.2780 -0.5677 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 0.0897 1.3342 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3627 0.4975 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 0.5680 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.6247 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 1.6524 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 -0.5660 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 -0.8018 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 0.6930 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 2.9916 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8763 0.7316 0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0387 -1.7647 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -0.8690 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5433 1.4865 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 0.5907 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -1.5657 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5376 -0.6922 1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 1.5929 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 1.5871 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6972 -0.5692 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 3.1652 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 3.1733 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 3.7807 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 1.6056 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 0.8802 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 0.7138 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 -1.8003 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1294 -1.7178 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 -2.7014 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 -2.0627 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 0.3132 2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 M END > 2164 > 0.6 > 1 6 4 5 3 2 > 11 1 -0.57 11 0.57 12 0.57 16 0.69 2 -0.57 3 -0.57 33 0.37 34 0.37 4 -0.49 5 -0.49 6 0.12 > 4.6 > 8 1 1 acceptor 1 13 hydrophobe 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 donor 3 10 14 15 hydrophobe 6 4 5 6 11 12 16 rings > 16 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0000087400000001 > 40.0512 > 40.636 > 10219947 1 17346593067105890707 10610426 29 17023171700547616614 11067466 332 17915757563700933305 11471102 22 17703788111144748819 11578080 2 16444162310202923052 12592029 89 18045227287002353484 12932764 1 17203062884421015639 14817 1 17611432304234572820 15163728 17 11958890566768022258 16945 1 17631999893360767958 17041 49 18334585611817999065 17844478 74 18268691841315705626 18186145 218 12973893602020848271 20233049 118 17845666952651862041 20511035 2 18056474178109313127 20559304 39 17845669143575377665 20645477 70 17751070522018577851 21524375 3 17690014743911708245 230 275 16200163118167915011 23419403 2 18196624398391033384 2748010 2 17128443209083630622 430814 3 17688026835293702069 568465 68 18060133224147358867 7364860 26 18116997886687470245 74978 22 18113901589530212359 81228 2 17909569263004280009 81539 233 17535190265135889165 > 301.7 5.57 2.21 1.52 5.5 1.39 0.12 -3.28 -1.79 -0.75 0.27 -0.68 -0.07 -0.34 > 610.169 > 174.4 > 2 5 10 $$$$