@MOLECULE 1-(p-methoxybenzyl)-6,7-methylenedioxyisoquinoline 37 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9122 -2.7302 0.8486 O.3 1 UNL1111111111 -0.3259 2 O 3.6916 -2.3662 -0.6556 O.3 1 UNL1111111111 -0.3324 3 O -4.6470 -1.4969 -0.5625 O.3 1 UNL1111111111 -0.3220 4 N 0.7230 3.2132 0.1285 N.ar 1 UNL1111111111 -0.4133 5 C 1.3409 0.8770 0.3056 C.ar 1 UNL1111111111 -0.1159 6 C 0.5103 1.9990 0.6262 C.ar 1 UNL1111111111 0.2288 7 C 2.4154 1.0953 -0.5933 C.ar 1 UNL1111111111 0.0671 8 C -0.6715 1.8734 1.5527 C.3 1 UNL1111111111 -0.2892 9 C 1.0978 -0.4212 0.8568 C.ar 1 UNL1111111111 -0.1726 10 C 1.9366 -1.4126 0.4686 C.ar 1 UNL1111111111 0.1207 11 C 3.0220 -1.1928 -0.4455 C.ar 1 UNL1111111111 0.1812 12 C 3.2860 0.0244 -0.9827 C.ar 1 UNL1111111111 -0.2493 13 C -1.7344 0.9991 0.9598 C.ar 1 UNL1111111111 -0.0600 14 C 2.6186 2.3983 -1.1106 C.ar 1 UNL1111111111 -0.2578 15 C 3.0042 -3.3570 0.1434 C.3 1 UNL1111111111 0.1562 16 C 1.7661 3.4124 -0.7280 C.ar 1 UNL1111111111 0.0563 17 C -2.3020 -0.0308 1.7187 C.ar 1 UNL1111111111 -0.1076 18 C -2.1664 1.2173 -0.3485 C.ar 1 UNL1111111111 -0.0910 19 C -3.2799 -0.8484 1.1722 C.ar 1 UNL1111111111 -0.2415 20 C -3.1446 0.4064 -0.9192 C.ar 1 UNL1111111111 -0.2848 21 C -3.6891 -0.6222 -0.1516 C.ar 1 UNL1111111111 0.2440 22 C -5.1120 -1.3687 -1.8983 C.3 1 UNL1111111111 -0.2017 23 H -1.1023 2.8855 1.7591 H 1 UNL1111111111 0.1867 24 H -0.3306 1.5031 2.5429 H 1 UNL1111111111 0.1644 25 H 0.2682 -0.5903 1.5393 H 1 UNL1111111111 0.1896 26 H 4.1032 0.2036 -1.6729 H 1 UNL1111111111 0.1836 27 H 3.4384 2.5825 -1.7984 H 1 UNL1111111111 0.1688 28 H 2.5785 -4.1023 -0.5432 H 1 UNL1111111111 0.1438 29 H 3.7156 -3.7340 0.8909 H 1 UNL1111111111 0.1421 30 H 1.8708 4.4407 -1.0895 H 1 UNL1111111111 0.1666 31 H -1.9774 -0.1955 2.7458 H 1 UNL1111111111 0.1524 32 H -1.7313 2.0302 -0.9330 H 1 UNL1111111111 0.1618 33 H -3.7289 -1.6559 1.7437 H 1 UNL1111111111 0.1684 34 H -3.4642 0.5839 -1.9397 H 1 UNL1111111111 0.1616 35 H -5.8458 -2.1833 -1.9676 H 1 UNL1111111111 0.1515 36 H -4.2981 -1.5255 -2.6131 H 1 UNL1111111111 0.1356 37 H -5.5998 -0.4010 -2.0509 H 1 UNL1111111111 0.1337 @BOND 1 1 10 1 2 1 15 1 3 2 11 1 4 2 15 1 5 3 21 1 6 3 22 1 7 4 6 ar 8 4 16 ar 9 5 6 ar 10 5 7 ar 11 5 9 ar 12 6 8 1 13 7 12 ar 14 7 14 ar 15 8 13 1 16 8 23 1 17 8 24 1 18 9 10 ar 19 9 25 1 20 10 11 ar 21 11 12 ar 22 12 26 1 23 13 17 ar 24 13 18 ar 25 14 16 ar 26 14 27 1 27 15 28 1 28 15 29 1 29 16 30 1 30 17 19 ar 31 17 31 1 32 18 20 ar 33 18 32 1 34 19 21 ar 35 19 33 1 36 20 21 ar 37 20 34 1 38 22 35 1 39 22 36 1 40 22 37 1