6343303 -OEChem-03282410103D 48 50 0 0 0 0 0 0 0999 V2000 -1.0596 -1.9081 1.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 0.1887 -0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 0.5700 0.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -2.1969 -0.3816 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4013 0.4592 0.2894 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -3.0185 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 -2.1955 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5457 -0.8896 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -1.7043 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3344 -1.8907 -1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 -1.7461 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 2.5821 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 1.1088 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 -1.5397 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5004 -1.1257 -1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4735 -0.9814 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0699 -0.6712 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 3.2229 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 3.2609 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 -0.9504 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 -1.6823 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 4.6057 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 4.6439 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4472 -1.1345 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 5.3162 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6187 -1.8260 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6104 -0.8534 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9568 0.3559 -0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -3.6356 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 -3.7073 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9286 -1.9695 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 -2.2377 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 -1.9831 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 0.9848 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7218 -2.6179 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9646 -0.8833 -2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9171 -0.6277 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9777 -0.0754 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 2.6830 -0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 2.7843 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0754 0.1205 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 -2.7564 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 5.1292 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 5.1991 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 6.3932 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 -2.8922 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6692 -1.0136 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 1.3729 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 16 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 23 2 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END > 6343303 > 1 > 1 48 61 13 9 57 56 59 22 8 62 41 12 26 63 18 64 34 37 10 44 53 55 14 46 5 35 3 16 60 4 23 40 15 45 36 25 21 28 52 31 33 19 42 7 58 54 29 27 47 39 51 49 17 2 24 11 38 43 6 30 50 20 32 > 46 1 -0.57 10 -0.15 11 -0.15 12 0.09 13 0.54 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.28 20 -0.15 21 -0.11 22 -0.15 23 -0.15 24 0.09 25 -0.15 26 -0.15 27 -0.15 28 -0.01 3 -0.57 31 0.37 32 0.15 33 0.15 34 0.37 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.73 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 5 -0.54 6 0.44 7 -0.14 8 0.12 9 0.62 > 9 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 donor 5 2 24 26 27 28 rings 6 12 18 19 22 23 25 rings 6 7 10 11 15 16 17 rings > 28 > 0 > 0 > 2 > 0 > 0 > 1 > 6 > 0060CA8700000001 > 70.1397 > 40.599 > 10411042 1 18410295856102295115 10940486 97 17916015957408163439 12058002 1 17533527571558515759 12293681 160 18040709268721345699 12788726 201 18261668186554563050 13590594 115 18410857672622109377 13726171 33 14852985285445498271 14294032 229 18196662800062671488 14400156 260 18190445083693904529 14508225 48 18340762723492057885 14556957 393 18334587836579456372 15198563 99 18339360768831307445 15276724 80 18341894078418706302 15439362 3 17979067512101246081 16087824 20 18338518518241342257 16992727 255 18114737119340923885 16994733 274 15357965738311474447 18336668 15 18113623386933719909 19427546 62 17329145767662811481 20101258 96 18411703183667413696 20587220 46 15541707544627624749 21236236 1 18341898450284164875 2132832 1 18187374237843092380 21344244 246 17908695473456611567 21796203 349 18048351996222408473 22122407 14 14707506784560963438 23559900 14 18196647608414718210 23576562 1 18194668479834199975 23929065 36 18267000801148812880 24771750 20 17757845797813542356 255183 313 18055094080985440433 255183 451 18054500581151474447 266924 87 18266172833996048367 283562 15 18261676952403206091 4280585 95 18341890831144050543 504579 68 18114196246221108390 5171179 24 18200863076003843105 5969126 39 18412543189371200748 7226269 152 18260829293510828115 > 548.66 15.64 6.04 1.07 25.64 12.49 -0.04 -13.78 -4.95 -4.27 -0.29 -1.14 -0.52 -0.18 > 1184.74 > 299.4 > 2 5 10 $$$$