@MOLECULE isocarboxazid 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3222 -1.3244 -0.0879 O.2 1 UNL1111111111 0.0391 2 O -1.1626 1.9226 -0.1348 O.2 1 UNL1111111111 -0.4195 3 N 0.9595 0.3094 0.4714 N.3 1 UNL1111111111 -0.3077 4 N -0.3767 -0.1280 0.5943 N.am 1 UNL1111111111 -0.4701 5 N -2.9676 -1.1504 -0.0164 N.ar 1 UNL1111111111 -0.2402 6 C 1.7177 -0.5143 -0.5208 C.3 1 UNL1111111111 -0.1667 7 C 3.1874 -0.3147 -0.2845 C.ar 1 UNL1111111111 -0.0342 8 C 3.7152 0.9781 -0.2788 C.ar 1 UNL1111111111 -0.1400 9 C 4.0232 -1.4123 -0.0773 C.ar 1 UNL1111111111 -0.1677 10 C -2.7097 0.1532 0.0607 C.ar 1 UNL1111111111 -0.0210 11 C -1.3461 0.7602 0.1210 C.2 1 UNL1111111111 0.5897 12 C 5.0766 1.1722 -0.0612 C.ar 1 UNL1111111111 -0.1455 13 C 5.3862 -1.2140 0.1353 C.ar 1 UNL1111111111 -0.1451 14 C -3.9488 0.8931 0.0392 C.ar 1 UNL1111111111 -0.2741 15 C -4.9212 -0.0695 -0.0533 C.ar 1 UNL1111111111 0.1059 16 C 5.9133 0.0761 0.1453 C.ar 1 UNL1111111111 -0.1461 17 C -6.3814 -0.0777 -0.1226 C.3 1 UNL1111111111 -0.4529 18 H 1.4377 -0.1380 -1.5363 H 1 UNL1111111111 0.1726 19 H 1.4424 -1.5910 -0.4990 H 1 UNL1111111111 0.1327 20 H 1.3875 0.2373 1.4088 H 1 UNL1111111111 0.2679 21 H 3.0528 1.8321 -0.4395 H 1 UNL1111111111 0.1749 22 H 3.6193 -2.4221 -0.0828 H 1 UNL1111111111 0.1498 23 H -0.5588 -1.1322 0.5771 H 1 UNL1111111111 0.3070 24 H -4.0327 1.9597 0.0823 H 1 UNL1111111111 0.1999 25 H 5.4871 2.1804 -0.0535 H 1 UNL1111111111 0.1527 26 H 6.0397 -2.0695 0.2948 H 1 UNL1111111111 0.1499 27 H 6.9774 0.2278 0.3136 H 1 UNL1111111111 0.1492 28 H -6.8325 -0.6306 0.7208 H 1 UNL1111111111 0.1791 29 H -6.7999 0.9432 -0.0995 H 1 UNL1111111111 0.1812 30 H -6.7500 -0.5558 -1.0477 H 1 UNL1111111111 0.1793 @BOND 1 1 5 ar 2 1 15 ar 3 2 11 2 4 3 4 1 5 3 6 1 6 3 20 1 7 4 11 am 8 4 23 1 9 5 10 ar 10 6 7 1 11 6 18 1 12 6 19 1 13 7 8 ar 14 7 9 ar 15 8 12 ar 16 8 21 1 17 9 13 ar 18 9 22 1 19 10 11 1 20 10 14 ar 21 12 16 ar 22 12 25 1 23 13 16 ar 24 13 26 1 25 14 15 ar 26 14 24 1 27 15 17 1 28 16 27 1 29 17 28 1 30 17 29 1 31 17 30 1