@MOLECULE 3-(alpha-d-galactopyranosyloxy)-n-[3-(4-morpholinyl)propyl]-5-nitrobenzamide 62 64 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.1585 0.5115 1.3121 C.3 1 UNL111 0.2773 2 O -3.7569 -0.8075 0.9135 O.3 1 UNL111 -0.4384 3 C -5.6865 0.4898 1.0943 C.3 1 UNL111 0.0364 4 O -6.2957 -0.5561 1.7990 O.3 1 UNL111 -0.5342 5 C -5.9915 0.3749 -0.4076 C.3 1 UNL111 0.0443 6 O -7.3657 0.6038 -0.6419 O.3 1 UNL111 -0.5601 7 C -5.2663 1.5021 -1.1757 C.3 1 UNL111 0.0738 8 O -5.7430 2.7618 -0.7594 O.3 1 UNL111 -0.5391 9 C -3.7667 1.4783 -0.8473 C.3 1 UNL111 0.0404 10 O -3.5436 1.4934 0.5642 O.3 1 UNL111 -0.4162 11 C -3.0281 2.7419 -1.3208 C.3 1 UNL111 0.0034 12 O -1.8083 2.3643 -1.9075 O.3 1 UNL111 -0.5612 13 C -2.4517 -1.0583 0.6611 C.ar 1 UNL111 0.2629 14 C -2.2185 -2.3570 0.1843 C.ar 1 UNL111 -0.1785 15 C -0.9172 -2.6951 -0.1742 C.ar 1 UNL111 -0.0182 16 C 0.1365 -1.7797 -0.0987 C.ar 1 UNL111 -0.1459 17 C -0.1298 -0.5079 0.3978 C.ar 1 UNL111 -0.0868 18 C -1.4089 -0.1418 0.8089 C.ar 1 UNL111 -0.1891 19 N -0.6428 -4.0484 -0.6519 N.pl3 1 UNL111 0.6170 20 O 0.5225 -4.3702 -0.8148 O.2 1 UNL111 -0.3915 21 O -1.5890 -4.7908 -0.8496 O.2 1 UNL111 -0.3858 22 C 0.9173 0.5582 0.4459 C.2 1 UNL111 0.5769 23 O 0.6809 1.6915 0.0688 O.2 1 UNL111 -0.5412 24 N 2.1308 0.1957 0.9694 N.am 1 UNL111 -0.5701 25 O 9.5579 0.2146 -0.6676 O.3 1 UNL111 -0.3851 26 C 9.3251 0.2682 0.7272 C.3 1 UNL111 -0.0439 27 C 8.1232 1.1826 1.0327 C.3 1 UNL111 -0.1614 28 N 6.9420 0.6388 0.3182 N.3 1 UNL111 -0.4198 29 C 7.2111 0.6002 -1.1403 C.3 1 UNL111 -0.1606 30 C 8.4420 -0.2952 -1.3737 C.3 1 UNL111 -0.0444 31 C 5.7216 1.4268 0.6204 C.3 1 UNL111 -0.1156 32 C 4.5058 0.5015 0.4262 C.3 1 UNL111 -0.3124 33 C 3.2455 1.1504 1.0159 C.3 1 UNL111 -0.0683 34 H -3.8281 0.6940 2.3559 H 1 UNL111 0.1575 35 H -6.1504 1.4079 1.5341 H 1 UNL111 0.1845 36 H -5.8525 -1.4153 1.6128 H 1 UNL111 0.3324 37 H -5.7394 -0.6317 -0.8078 H 1 UNL111 0.1451 38 H -7.9027 0.1329 0.0359 H 1 UNL111 0.3415 39 H -5.4458 1.4113 -2.2723 H 1 UNL111 0.1486 40 H -6.7298 2.7528 -0.7631 H 1 UNL111 0.3378 41 H -3.2875 0.5626 -1.2668 H 1 UNL111 0.1542 42 H -2.8707 3.4552 -0.4903 H 1 UNL111 0.1457 43 H -3.5688 3.2522 -2.1416 H 1 UNL111 0.1606 44 H -1.1139 2.1796 -1.2324 H 1 UNL111 0.3434 45 H -3.0423 -3.0710 0.0937 H 1 UNL111 0.2034 46 H 1.1371 -2.0624 -0.4380 H 1 UNL111 0.1926 47 H -1.5753 0.8645 1.2078 H 1 UNL111 0.2053 48 H 2.3275 -0.7533 1.2438 H 1 UNL111 0.3158 49 H 10.2701 0.6811 1.1207 H 1 UNL111 0.1383 50 H 9.1657 -0.7528 1.1169 H 1 UNL111 0.1309 51 H 8.3598 2.2275 0.7421 H 1 UNL111 0.1272 52 H 7.9142 1.1743 2.1231 H 1 UNL111 0.1413 53 H 6.3269 0.1689 -1.6546 H 1 UNL111 0.1431 54 H 7.3893 1.6080 -1.5722 H 1 UNL111 0.1282 55 H 8.7808 -0.2696 -2.4240 H 1 UNL111 0.1393 56 H 8.2500 -1.3373 -1.0625 H 1 UNL111 0.1309 57 H 5.6228 2.3380 -0.0055 H 1 UNL111 0.1228 58 H 5.7614 1.7697 1.6776 H 1 UNL111 0.1368 59 H 4.7168 -0.4744 0.9095 H 1 UNL111 0.1627 60 H 4.3576 0.2755 -0.6462 H 1 UNL111 0.1539 61 H 2.9757 2.0774 0.4534 H 1 UNL111 0.1732 62 H 3.4117 1.4559 2.0744 H 1 UNL111 0.1388 @BOND 1 55 30 1 2 39 7 1 3 43 11 1 4 12 11 1 5 12 44 1 6 53 29 1 7 54 29 1 8 30 29 1 9 30 56 1 10 30 25 1 11 11 9 1 12 11 42 1 13 41 9 1 14 7 9 1 15 7 8 1 16 7 5 1 17 29 28 1 18 21 19 2 19 9 10 1 20 20 19 2 21 37 5 1 22 40 8 1 23 25 26 1 24 19 15 1 25 60 32 1 26 6 5 1 27 6 38 1 28 46 16 1 29 5 3 1 30 15 16 ar 31 15 14 ar 32 16 17 ar 33 57 31 1 34 23 22 2 35 45 14 1 36 14 13 ar 37 28 31 1 38 28 27 1 39 17 22 1 40 17 18 ar 41 32 31 1 42 32 59 1 43 32 33 1 44 22 24 am 45 61 33 1 46 10 1 1 47 31 58 1 48 13 18 ar 49 13 2 1 50 26 27 1 51 26 50 1 52 26 49 1 53 51 27 1 54 18 47 1 55 2 1 1 56 24 33 1 57 24 48 1 58 33 62 1 59 27 52 1 60 3 1 1 61 3 35 1 62 3 4 1 63 1 34 1 64 36 4 1