@MOLECULE (11R,12R,14E,18S,19S)-14-ethylidene-18-hydroxy-18-(hydroxymethyl)-13-methylene-19-oxido-25,26-dioxa-19-azoniatricyclo[BLAH.BLAH.BLAH.BLAH]heptadec-8(15)-ene-16,17-dione 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.2418 1.1035 -0.1830 O.3 1 UNL11111111 -0.4484 2 O -4.6645 -1.4492 0.0931 O.3 1 UNL11111111 -0.7158 3 O 0.7662 -0.9582 -1.0980 O.3 1 UNL11111111 -0.3675 4 O -0.2150 2.3076 -1.7810 O.2 1 UNL11111111 -0.5053 5 O 2.7875 0.0083 1.3548 O.3 1 UNL11111111 -0.5197 6 O 1.6089 -2.4311 0.3881 O.2 1 UNL11111111 -0.5429 7 O 4.3049 -2.1043 0.6368 O.3 1 UNL11111111 -0.5516 8 N -3.6056 -0.7716 0.3948 N.4 1 UNL11111111 0.3391 9 C -2.6363 -0.6965 -0.8235 C.3 1 UNL11111111 -0.1013 10 C -2.3411 0.7997 -1.0336 C.3 1 UNL11111111 0.1150 11 C -3.9779 0.6655 0.7556 C.3 1 UNL11111111 -0.1943 12 C -3.5531 1.5315 -0.4344 C.3 1 UNL11111111 -0.3212 13 C -2.8145 -1.4860 1.5067 C.3 1 UNL11111111 -0.2166 14 C -1.4482 -1.5135 -0.4129 C.2 1 UNL11111111 -0.0870 15 C -1.5375 -1.9249 0.8603 C.2 1 UNL11111111 -0.1241 16 C -0.3558 -1.8103 -1.3681 C.3 1 UNL11111111 -0.0248 17 C -0.2197 1.8672 -0.6611 C.2 1 UNL11111111 0.6211 18 C 0.7774 2.0446 0.4134 C.2 1 UNL11111111 -0.1510 19 C 2.7941 -0.3479 -0.0055 C.3 1 UNL11111111 0.1607 20 C 1.6549 -1.3669 -0.1835 C.2 1 UNL11111111 0.5582 21 C 2.1904 2.1322 -0.0683 C.3 1 UNL11111111 -0.2506 22 C 2.5836 0.8958 -0.8223 C.2 1 UNL11111111 -0.0027 23 C 4.1179 -1.0925 -0.3221 C.3 1 UNL11111111 -0.0451 24 C 0.3766 2.1284 1.6911 C.2 1 UNL11111111 -0.0258 25 C 2.7187 0.8863 -2.1495 C.2 1 UNL11111111 -0.3088 26 C 1.2892 2.3270 2.8438 C.3 1 UNL11111111 -0.4558 27 H -3.1725 -1.1326 -1.7019 H 1 UNL11111111 0.1927 28 H -2.1220 1.0650 -2.0861 H 1 UNL11111111 0.1625 29 H -3.4684 0.9780 1.6835 H 1 UNL11111111 0.1439 30 H -5.0736 0.7008 0.9330 H 1 UNL11111111 0.1795 31 H -4.3645 1.6184 -1.1811 H 1 UNL11111111 0.1675 32 H -3.2941 2.5587 -0.1280 H 1 UNL11111111 0.1644 33 H -3.4256 -2.3536 1.8508 H 1 UNL11111111 0.1953 34 H -2.6497 -0.8245 2.3742 H 1 UNL11111111 0.1557 35 H -0.8196 -2.5184 1.4070 H 1 UNL11111111 0.1794 36 H -0.0444 -2.8750 -1.3341 H 1 UNL11111111 0.1612 37 H -0.5955 -1.5284 -2.4145 H 1 UNL11111111 0.1578 38 H 2.3009 3.0360 -0.7132 H 1 UNL11111111 0.1676 39 H 2.8924 2.2895 0.7837 H 1 UNL11111111 0.1764 40 H 4.9912 -0.4274 -0.1793 H 1 UNL11111111 0.1652 41 H 4.1335 -1.5205 -1.3377 H 1 UNL11111111 0.1353 42 H -0.6844 2.0496 1.9492 H 1 UNL11111111 0.1541 43 H 3.2349 -0.7046 1.8851 H 1 UNL11111111 0.3438 44 H 2.9799 0.0187 -2.7331 H 1 UNL11111111 0.1490 45 H 2.5395 1.7588 -2.7652 H 1 UNL11111111 0.1683 46 H 1.8738 3.2545 2.7504 H 1 UNL11111111 0.1625 47 H 2.0188 1.4991 2.9165 H 1 UNL11111111 0.1849 48 H 0.7566 2.3707 3.8025 H 1 UNL11111111 0.1525 49 H 3.5278 -2.7186 0.6535 H 1 UNL11111111 0.3470 @BOND 1 45 25 1 2 44 25 1 3 37 16 1 4 25 22 2 5 28 10 1 6 4 17 2 7 27 9 1 8 16 36 1 9 16 3 1 10 16 14 1 11 41 23 1 12 31 12 1 13 3 20 1 14 10 9 1 15 10 12 1 16 10 1 1 17 9 14 1 18 9 8 1 19 22 21 1 20 22 19 1 21 38 21 1 22 17 1 1 23 17 18 1 24 12 32 1 25 12 11 1 26 14 15 2 27 23 40 1 28 23 19 1 29 23 7 1 30 20 19 1 31 20 6 2 32 21 18 1 33 21 39 1 34 19 5 1 35 2 8 1 36 8 11 1 37 8 13 1 38 18 24 2 39 7 49 1 40 11 30 1 41 11 29 1 42 15 35 1 43 15 13 1 44 5 43 1 45 13 33 1 46 13 34 1 47 24 42 1 48 24 26 1 49 46 26 1 50 26 47 1 51 26 48 1