@MOLECULE (1r,2r,4s,5s,7s)-7-{[(2s)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.2365 -1.3184 1.5209 C.2 1 UNL1 -0.0734 2 C -2.0742 -0.9388 1.3185 C.2 1 UNL1 -0.0364 3 C -1.2143 -0.5123 0.2614 C.3 1 UNL1 0.2135 4 C -3.2050 -0.8240 -1.1962 C.2 1 UNL1 -0.0307 5 C -2.0222 -0.4659 -0.8385 C.2 1 UNL1 -0.0622 6 N -1.9567 3.1466 -0.0520 N.1 1 UNL1 -0.6009 7 C -3.1247 3.5225 -0.2634 C.1 1 UNL1 0.3595 8 C -0.7765 2.7512 0.1339 C.3 1 UNL1 0.2393 9 C -4.3069 -1.2402 -0.5993 C.3 1 UNL1 0.0356 10 C -4.4364 -1.4205 0.8488 C.3 1 UNL1 0.1155 11 O -5.1286 -2.2255 -0.0653 O.3 1 UNL1 -0.1042 12 O 0.0882 -0.2575 0.4556 O.3 1 UNL1 -0.2831 13 C 0.7377 0.4961 -0.5200 C.2 1 UNL1 0.6452 14 O 0.1942 0.8835 -1.5102 O.2 1 UNL1 -0.4069 15 C 2.1049 0.7369 -0.0467 C.2 1 UNL1 -0.4113 16 C 3.0673 -0.3256 -0.0473 C.ar 1 UNL1 0.1060 17 C 4.4024 -0.2045 0.3647 C.ar 1 UNL1 -0.0783 18 C 5.2969 -1.1732 0.3527 C.ar 1 UNL1 -0.0169 19 C 4.9977 -2.4043 -0.0674 C.ar 1 UNL1 0.0164 20 C 3.7445 -2.6105 -0.4797 C.ar 1 UNL1 -0.0191 21 C 2.8447 -1.6432 -0.4725 C.ar 1 UNL1 -0.0201 22 C 2.4046 1.9776 0.3543 C.1 1 UNL1 0.5609 23 O 2.6525 3.0466 0.6967 O.2 1 UNL1 -0.1483 @BOND 1 14 13 2 2 4 5 2 3 4 9 1 4 5 3 1 5 9 11 1 6 9 10 1 7 13 15 1 8 13 12 1 9 20 21 ar 10 20 19 ar 11 21 16 ar 12 7 6 3 13 19 18 ar 14 11 10 1 15 6 8 1 16 16 15 1 17 16 17 ar 18 15 22 2 19 3 12 1 20 3 2 1 21 18 17 ar 22 22 23 2 23 10 1 1 24 2 1 2