@MOLECULE 1-[(3,4-dihydroxycyclohexyl)methyl]-7-hydroxy-3,4,5,8-tetrahydro-2H-isoquinoline-1,3,4,4a,5,7,8,8a-octaid-6-one 34 36 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.1279 -2.5475 1.2187 O.3 1 UNL1111111 -0.4513 2 O 2.7299 -2.2344 -1.3464 O.3 1 UNL1111111 -0.4317 3 O -4.8152 -1.5709 -0.6429 O.2 1 UNL1111111 -0.5151 4 O 5.1859 -1.1059 -1.0087 O.3 1 UNL1111111 -0.4865 5 N -0.1062 2.5486 0.0598 N.4 1 UNL1111111 -0.3745 6 C -0.3609 1.3370 0.6815 C.3 1 UNL1111111 0.2030 7 C 0.6764 0.9250 1.6886 C.3 1 UNL1111111 -0.3147 8 C -1.4785 0.5977 0.3623 C.3 1 UNL1111111 -0.1258 9 C -2.4091 1.0880 -0.6439 C.3 1 UNL1111111 0.1645 10 C 1.8962 0.4073 0.9840 C.3 1 UNL1111111 0.0045 11 C -1.7633 -0.6708 0.9852 C.3 1 UNL1111111 -0.2664 12 C -2.0880 2.3506 -1.2572 C.3 1 UNL1111111 -0.2648 13 C -0.9651 3.0363 -0.9107 C.3 1 UNL1111111 0.0335 14 C -3.5279 0.3872 -0.9967 C.3 1 UNL1111111 -0.4305 15 C 1.7702 -0.6948 0.1314 C.3 1 UNL1111111 -0.2129 16 C 3.1314 1.0208 1.1777 C.3 1 UNL1111111 -0.1893 17 C -2.8705 -1.3595 0.6301 C.3 1 UNL1111111 0.1670 18 C -3.8446 -0.8771 -0.3935 C.2 1 UNL1111111 0.4447 19 C 2.8977 -1.1718 -0.5260 C.3 1 UNL1111111 0.2213 20 C 4.2699 0.5445 0.5204 C.3 1 UNL1111111 -0.2220 21 C 4.1474 -0.5475 -0.3250 C.3 1 UNL1111111 0.1337 22 H 0.2747 0.1362 2.3719 H 1 UNL1111111 0.1959 23 H 0.9197 1.7642 2.3754 H 1 UNL1111111 0.1638 24 H 0.7556 3.0376 0.2604 H 1 UNL1111111 0.3138 25 H -1.0840 -1.0694 1.7347 H 1 UNL1111111 0.1725 26 H -2.7695 2.7400 -2.0119 H 1 UNL1111111 0.1792 27 H -0.6854 3.9926 -1.3611 H 1 UNL1111111 0.1622 28 H -4.2218 0.7525 -1.7473 H 1 UNL1111111 0.1829 29 H 0.8037 -1.1799 -0.0298 H 1 UNL1111111 0.1991 30 H 3.2264 1.8698 1.8499 H 1 UNL1111111 0.1523 31 H 5.2321 1.0231 0.6770 H 1 UNL1111111 0.1596 32 H -3.9719 -2.9381 0.8410 H 1 UNL1111111 0.3524 33 H 3.5917 -2.5010 -1.7676 H 1 UNL1111111 0.3410 34 H 6.0189 -0.5871 -0.8991 H 1 UNL1111111 0.3386 @BOND 1 26 12 1 2 33 2 1 3 28 14 1 4 27 13 1 5 2 19 1 6 12 13 1 7 12 9 1 8 4 34 1 9 4 21 1 10 14 9 1 11 14 18 1 12 13 5 1 13 9 8 1 14 3 18 2 15 19 21 1 16 19 15 1 17 18 17 1 18 21 20 1 19 29 15 1 20 5 24 1 21 5 6 1 22 15 10 1 23 8 6 1 24 8 11 1 25 20 31 1 26 20 16 1 27 17 11 1 28 17 1 1 29 6 7 1 30 32 1 1 31 10 16 1 32 10 7 1 33 11 25 1 34 16 30 1 35 7 22 1 36 7 23 1