@MOLECULE laninamivir 46 46 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.8994 1.2408 0.0293 O.2 1 UNL11111111 -0.3021 2 O 1.6850 -0.4748 1.7343 O.3 1 UNL11111111 -0.3349 3 O 3.5666 0.8460 -0.0859 O.3 1 UNL11111111 -0.5665 4 O 4.8808 -0.7869 -1.8510 O.3 1 UNL11111111 -0.5410 5 O -0.8195 -3.1065 1.2886 O.2 1 UNL11111111 -0.5120 6 O 1.5027 3.6776 0.1164 O.3 1 UNL11111111 -0.5139 7 O -0.5716 4.3241 0.6464 O.2 1 UNL11111111 -0.4742 8 N -0.7507 -2.0142 -0.7005 N.am 1 UNL11111111 -0.6153 9 N -3.0086 -0.2499 -0.0517 N.pl3 1 UNL11111111 -0.5987 10 N -4.5484 1.1899 -1.2766 N.pl3 1 UNL11111111 -0.6714 11 N -5.2732 -0.2720 0.4476 N.pl3 1 UNL11111111 -0.6210 12 C 0.7379 -0.1172 -0.3867 C.3 1 UNL11111111 0.0501 13 C -0.6548 -0.6990 -0.0572 C.3 1 UNL11111111 0.0344 14 C 1.8424 -0.8770 0.3874 C.3 1 UNL11111111 0.0051 15 C -1.7697 0.2526 -0.6090 C.3 1 UNL11111111 0.0620 16 C 3.2694 -0.5279 -0.0765 C.3 1 UNL11111111 0.0651 17 C -1.4481 1.6655 -0.2246 C.2 1 UNL11111111 -0.2958 18 C -0.1867 2.0415 0.0105 C.2 1 UNL11111111 0.1359 19 C 3.5390 -1.0477 -1.5034 C.3 1 UNL11111111 -0.0511 20 C -0.9804 -3.1404 0.0906 C.2 1 UNL11111111 0.6167 21 C 0.1856 3.4504 0.3129 C.2 1 UNL11111111 0.6202 22 C 2.0956 -1.4567 2.6705 C.3 1 UNL11111111 -0.2149 23 C -4.1864 0.2322 -0.3040 C.cat 1 UNL11111111 0.5393 24 C -1.3319 -4.3922 -0.6659 C.3 1 UNL11111111 -0.5339 25 H 0.9316 -0.1193 -1.4823 H 1 UNL11111111 0.1403 26 H -0.7766 -0.7945 1.0621 H 1 UNL11111111 0.2198 27 H 1.6638 -1.9752 0.2724 H 1 UNL11111111 0.1539 28 H -1.7828 0.1877 -1.7363 H 1 UNL11111111 0.1362 29 H 4.0232 -0.9420 0.6390 H 1 UNL11111111 0.1555 30 H -1.0646 -2.0140 -1.6589 H 1 UNL11111111 0.3005 31 H -2.2755 2.3620 -0.1292 H 1 UNL11111111 0.1830 32 H 2.8871 -0.5649 -2.2529 H 1 UNL11111111 0.1199 33 H 3.4539 -2.1458 -1.5770 H 1 UNL11111111 0.1375 34 H 2.7641 1.4010 -0.0095 H 1 UNL11111111 0.3514 35 H 3.1570 -1.6932 2.5546 H 1 UNL11111111 0.1207 36 H 1.4713 -2.3536 2.5968 H 1 UNL11111111 0.1410 37 H 1.9235 -0.9515 3.6310 H 1 UNL11111111 0.1521 38 H -1.2632 -5.2660 -0.0007 H 1 UNL11111111 0.1850 39 H -2.3613 -4.3529 -1.0456 H 1 UNL11111111 0.1735 40 H -0.6585 -4.5766 -1.5119 H 1 UNL11111111 0.1720 41 H 5.1039 0.1399 -1.5954 H 1 UNL11111111 0.3346 42 H 1.7749 4.6068 0.3390 H 1 UNL11111111 0.3575 43 H -3.8271 1.8278 -1.5654 H 1 UNL11111111 0.2961 44 H -5.4437 1.6374 -1.1788 H 1 UNL11111111 0.2960 45 H -6.0968 -0.5195 -0.0731 H 1 UNL11111111 0.2846 46 H -5.0125 -0.9862 1.1195 H 1 UNL11111111 0.3066 @BOND 1 32 19 1 2 4 41 1 3 4 19 1 4 28 15 1 5 30 8 1 6 33 19 1 7 43 10 1 8 40 24 1 9 19 16 1 10 25 12 1 11 10 44 1 12 10 23 1 13 39 24 1 14 8 13 1 15 8 20 am 16 24 38 1 17 24 20 1 18 15 17 1 19 15 13 1 20 15 9 1 21 12 13 1 22 12 1 1 23 12 14 1 24 23 9 2 25 23 11 1 26 17 31 1 27 17 18 2 28 3 16 1 29 3 34 1 30 16 14 1 31 16 29 1 32 45 11 1 33 13 26 1 34 18 1 1 35 18 21 1 36 20 5 2 37 6 21 1 38 6 42 1 39 27 14 1 40 21 7 2 41 14 2 1 42 11 46 1 43 2 22 1 44 35 22 1 45 36 22 1 46 22 37 1