@MOLECULE 1-(hydroxymethyl)-7-methoxy-3,4,5,8-tetrahydro-2H-isoquinoline-1,3,4,4a,5,7,8,8a-octaid-6-one 26 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.6685 -1.6289 0.0550 O.3 1 UNL11111111 -0.3036 2 O -3.6992 -1.9419 -0.3296 O.3 1 UNL11111111 -0.5471 3 O 3.3313 1.1676 -0.1292 O.2 1 UNL11111111 -0.5046 4 N -2.9223 0.5309 0.1133 N.4 1 UNL11111111 -0.3520 5 C -0.5887 -0.0475 0.0697 C.3 1 UNL11111111 -0.1067 6 C -0.2350 1.3622 -0.0005 C.3 1 UNL11111111 0.1576 7 CA -1.9142 -0.4133 0.1157 C.3 1 UNL11111111 0.1108 8 C 0.4809 -1.0075 0.0894 C.3 1 UNL11111111 -0.2941 9 C -1.3255 2.3013 -0.0034 C.3 1 UNL11111111 -0.2671 10 C 1.0669 1.7629 -0.0634 C.3 1 UNL11111111 -0.4331 11 C 1.7797 -0.6123 0.0275 C.3 1 UNL11111111 0.1485 12 C -2.3924 -1.8430 0.2003 C.3 1 UNL11111111 -0.0188 13 C -2.6191 1.8776 0.0496 C.3 1 UNL11111111 0.0332 14 C 2.1653 0.8280 -0.0624 C.2 1 UNL11111111 0.4546 15 C 4.0584 -1.3190 0.0014 C.3 1 UNL11111111 -0.1886 16 H 0.2443 -2.0661 0.1604 H 1 UNL11111111 0.1668 17 H -1.0864 3.3622 -0.0490 H 1 UNL11111111 0.1794 18 H 1.3408 2.8127 -0.1189 H 1 UNL11111111 0.1840 19 H -3.8869 0.2126 0.1373 H 1 UNL11111111 0.3293 20 H1 -2.5158 -2.1635 1.2587 H 1 UNL11111111 0.1704 21 H2 -1.7128 -2.5484 -0.3151 H 1 UNL11111111 0.1529 22 H -3.4724 2.5618 0.0484 H 1 UNL11111111 0.1642 23 H -3.6724 -2.0008 -1.3088 H 1 UNL11111111 0.3257 24 H 4.3573 -0.7027 0.8561 H 1 UNL11111111 0.1504 25 H 4.3101 -0.8149 -0.9382 H 1 UNL11111111 0.1504 26 H 4.5115 -2.3162 0.0523 H 1 UNL11111111 0.1376 @BOND 1 23 2 1 2 25 15 1 3 2 12 1 4 21 12 1 5 3 14 2 6 18 10 1 7 10 14 1 8 10 6 1 9 14 11 1 10 17 9 1 11 9 6 1 12 9 13 1 13 6 5 1 14 15 26 1 15 15 1 1 16 15 24 1 17 11 1 1 18 11 8 1 19 22 13 1 20 13 4 1 21 5 8 1 22 5 7 1 23 8 16 1 24 4 7 1 25 4 19 1 26 7 12 1 27 12 20 1