@MOLECULE [(12R,13S,14R,15S)-18-hydroxy-18-methyl-22-oxa-18-azoniatricyclo[BLAH.BLAH.BLAH.BLAH]nonan-11-yl] (2S)-3-hydroxy-2-phenyl-propanoate 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7055 0.9513 1.3226 O.3 1 UNL1111 -0.2973 2 O -5.2169 0.0495 -1.1562 O.3 1 UNL1111 -0.6207 3 O 0.3238 -0.1063 -0.2841 O.3 1 UNL1111 -0.4456 4 O 1.0522 -1.0584 1.6153 O.2 1 UNL1111 -0.5249 5 O 2.3347 -3.4191 -0.1799 O.3 1 UNL1111 -0.5346 6 N -3.5959 -0.0071 -0.8722 N.4 1 UNL1111 -0.0740 7 C -3.4305 1.4954 0.9793 C.3 1 UNL1111 -0.0349 8 C -3.5733 0.1017 1.5161 C.3 1 UNL1111 -0.0313 9 C -3.2660 -0.8426 0.3376 C.3 1 UNL1111 -0.0148 10 C -3.0419 1.3441 -0.5050 C.3 1 UNL1111 -0.0183 11 C -1.5026 1.3128 -0.5599 C.3 1 UNL1111 -0.3514 12 C -1.7526 -1.1208 0.3806 C.3 1 UNL1111 -0.3715 13 C -0.9390 0.1908 0.3363 C.3 1 UNL1111 0.1534 14 C -3.1402 -0.5512 -2.1666 C.3 1 UNL1111 -0.2875 15 C 1.2458 -0.7478 0.4677 C.2 1 UNL1111 0.6150 16 C 2.4794 -1.0174 -0.3566 C.3 1 UNL1111 -0.2581 17 C 3.1484 -2.3169 0.1448 C.3 1 UNL1111 0.0164 18 C 3.4447 0.1230 -0.2421 C.ar 1 UNL1111 -0.0097 19 C 4.0583 0.6198 -1.3941 C.ar 1 UNL1111 -0.1541 20 C 3.7582 0.6707 1.0045 C.ar 1 UNL1111 -0.1651 21 C 4.9878 1.6531 -1.2974 C.ar 1 UNL1111 -0.1385 22 C 4.6848 1.7060 1.0963 C.ar 1 UNL1111 -0.1350 23 C 5.3023 2.1965 -0.0532 C.ar 1 UNL1111 -0.1473 24 H -3.3970 -0.2379 2.5256 H 1 UNL1111 0.1670 25 H -3.1324 2.3825 1.5172 H 1 UNL1111 0.1649 26 H -3.4913 2.1177 -1.1606 H 1 UNL1111 0.1744 27 H -3.8856 -1.7620 0.3326 H 1 UNL1111 0.1750 28 H -1.1530 1.1742 -1.6033 H 1 UNL1111 0.1744 29 H -1.0819 2.2870 -0.2512 H 1 UNL1111 0.1616 30 H -1.4877 -1.6894 1.2939 H 1 UNL1111 0.1707 31 H -1.4588 -1.7763 -0.4621 H 1 UNL1111 0.1681 32 H -0.7485 0.5664 1.3677 H 1 UNL1111 0.1438 33 H -3.6557 -1.5147 -2.3423 H 1 UNL1111 0.1698 34 H -3.4805 0.1276 -2.9715 H 1 UNL1111 0.1679 35 H -2.0554 -0.6969 -2.2460 H 1 UNL1111 0.1337 36 H -5.6241 0.3864 -0.3644 H 1 UNL1111 0.2744 37 H 2.1713 -1.1738 -1.4274 H 1 UNL1111 0.1984 38 H 3.3395 -2.2899 1.2330 H 1 UNL1111 0.1369 39 H 4.0906 -2.5170 -0.3999 H 1 UNL1111 0.1535 40 H 3.8145 0.2007 -2.3689 H 1 UNL1111 0.1558 41 H 3.2776 0.2900 1.9085 H 1 UNL1111 0.1672 42 H 1.5807 -3.4723 0.4438 H 1 UNL1111 0.3188 43 H 5.4691 2.0348 -2.1965 H 1 UNL1111 0.1507 44 H 4.9273 2.1326 2.0684 H 1 UNL1111 0.1526 45 H 6.0315 3.0009 0.0196 H 1 UNL1111 0.1503 @BOND 1 1 7 1 2 1 8 1 3 2 6 1 4 2 36 1 5 3 13 1 6 3 15 1 7 4 15 2 8 5 17 1 9 5 42 1 10 6 9 1 11 6 10 1 12 6 14 1 13 7 8 1 14 7 10 1 15 7 25 1 16 8 9 1 17 8 24 1 18 9 12 1 19 9 27 1 20 10 11 1 21 10 26 1 22 11 13 1 23 11 28 1 24 11 29 1 25 12 13 1 26 12 30 1 27 12 31 1 28 13 32 1 29 14 33 1 30 14 34 1 31 14 35 1 32 15 16 1 33 16 17 1 34 16 18 1 35 16 37 1 36 17 38 1 37 17 39 1 38 18 19 ar 39 18 20 ar 40 19 21 ar 41 19 40 1 42 20 22 ar 43 20 41 1 44 21 23 ar 45 21 43 1 46 22 23 ar 47 22 44 1 48 23 45 1