@MOLECULE (1r,3s)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1h-isochromene-5,6-diol 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8486 -1.2232 0.1343 O.3 1 UNL1111111111 -0.4282 2 O 2.1321 2.6531 -0.5090 O.3 1 UNL1111111111 -0.4470 3 O 4.7043 1.8032 -0.2433 O.3 1 UNL1111111111 -0.4928 4 N -0.3945 -4.0624 -0.0265 N.3 1 UNL1111111111 -0.6422 5 C -1.0330 0.1042 0.6049 C.3 1 UNL1111111111 0.1145 6 C 0.4143 -1.7910 0.4556 C.3 1 UNL1111111111 0.1093 7 C -0.0649 1.0305 -0.1487 C.3 1 UNL1111111111 -0.3110 8 C 1.3212 0.5024 -0.0243 C.ar 1 UNL1111111111 -0.0188 9 C 1.5659 -0.8430 0.2724 C.ar 1 UNL1111111111 -0.0875 10 C -2.4617 0.4395 0.2781 C.ar 1 UNL1111111111 -0.0335 11 C 0.4892 -2.9846 -0.5271 C.3 1 UNL1111111111 -0.1233 12 C 2.4097 1.3597 -0.2031 C.ar 1 UNL1111111111 0.1691 13 C 2.8709 -1.3089 0.4303 C.ar 1 UNL1111111111 -0.1535 14 C 3.7206 0.8751 -0.0612 C.ar 1 UNL1111111111 0.1456 15 C 3.9602 -0.4550 0.2605 C.ar 1 UNL1111111111 -0.2395 16 C -3.1697 1.3124 1.1052 C.ar 1 UNL1111111111 -0.1627 17 C -3.0720 -0.1102 -0.8492 C.ar 1 UNL1111111111 -0.1370 18 C -4.4893 1.6370 0.7991 C.ar 1 UNL1111111111 -0.1437 19 C -4.3945 0.2113 -1.1474 C.ar 1 UNL1111111111 -0.1466 20 C -5.1027 1.0861 -0.3251 C.ar 1 UNL1111111111 -0.1508 21 H -0.8394 0.1227 1.7014 H 1 UNL1111111111 0.1329 22 H 0.3565 -2.1420 1.5156 H 1 UNL1111111111 0.1515 23 H -0.1414 2.0713 0.2326 H 1 UNL1111111111 0.1760 24 H -0.3496 1.0936 -1.2225 H 1 UNL1111111111 0.1776 25 H 1.5240 -3.3867 -0.5738 H 1 UNL1111111111 0.1474 26 H 0.2217 -2.6336 -1.5474 H 1 UNL1111111111 0.1318 27 H 3.0481 -2.3520 0.6930 H 1 UNL1111111111 0.1616 28 H 4.9734 -0.8251 0.3804 H 1 UNL1111111111 0.1604 29 H -2.6953 1.7406 1.9856 H 1 UNL1111111111 0.1515 30 H -2.5131 -0.7921 -1.4904 H 1 UNL1111111111 0.1637 31 H -0.5342 -4.7768 -0.7220 H 1 UNL1111111111 0.2445 32 H -1.2964 -3.6927 0.2405 H 1 UNL1111111111 0.2592 33 H -5.0427 2.3198 1.4400 H 1 UNL1111111111 0.1470 34 H -4.8732 -0.2199 -2.0240 H 1 UNL1111111111 0.1490 35 H 2.9714 3.1755 -0.6160 H 1 UNL1111111111 0.3406 36 H -6.1341 1.3384 -0.5602 H 1 UNL1111111111 0.1466 37 H 5.6011 1.3928 -0.2177 H 1 UNL1111111111 0.3380 @BOND 1 1 5 1 2 1 6 1 3 2 12 1 4 2 35 1 5 3 14 1 6 3 37 1 7 4 11 1 8 4 31 1 9 4 32 1 10 5 7 1 11 5 10 1 12 5 21 1 13 6 9 1 14 6 11 1 15 6 22 1 16 7 8 1 17 7 23 1 18 7 24 1 19 8 9 ar 20 8 12 ar 21 9 13 ar 22 10 16 ar 23 10 17 ar 24 11 25 1 25 11 26 1 26 12 14 ar 27 13 15 ar 28 13 27 1 29 14 15 ar 30 15 28 1 31 16 18 ar 32 16 29 1 33 17 19 ar 34 17 30 1 35 18 20 ar 36 18 33 1 37 19 20 ar 38 19 34 1 39 20 36 1