@MOLECULE ()-pentisomide 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6417 -2.1349 1.7918 O.2 1 UNL111111111 -0.5277 2 N 2.6126 0.6150 0.7002 N.3 1 UNL111111111 -0.4856 3 N -1.5247 1.4459 0.4904 N.ar 1 UNL111111111 -0.4100 4 N 0.1931 -2.9061 0.7725 N.am 1 UNL111111111 -0.6900 5 C -0.9205 -0.8522 -0.1445 C.3 1 UNL111111111 -0.0260 6 C 0.4643 -0.2422 -0.3995 C.3 1 UNL111111111 -0.3281 7 C -1.4757 -1.5382 -1.4219 C.3 1 UNL111111111 -0.2985 8 C 1.2249 0.1557 0.8864 C.3 1 UNL111111111 -0.0991 9 C -1.5607 -0.7379 -2.7400 C.3 1 UNL111111111 -0.0439 10 C -1.9256 0.1631 0.3797 C.ar 1 UNL111111111 0.1964 11 C 3.6257 -0.4532 0.5691 C.3 1 UNL111111111 0.1077 12 C 2.7342 1.6959 -0.3195 C.3 1 UNL111111111 0.1196 13 C -0.8280 -1.9820 0.9053 C.2 1 UNL111111111 0.5678 14 C -0.2099 -0.6418 -3.4615 C.3 1 UNL111111111 -0.4546 15 C -2.1705 0.6530 -2.5748 C.3 1 UNL111111111 -0.4627 16 C 3.5993 -1.2665 -0.7428 C.3 1 UNL111111111 -0.5007 17 C 3.5597 -1.4125 1.7732 C.3 1 UNL111111111 -0.4657 18 C 4.1763 2.2411 -0.3690 C.3 1 UNL111111111 -0.4752 19 C 1.7994 2.8626 0.0535 C.3 1 UNL111111111 -0.4711 20 C -3.2293 -0.2298 0.7353 C.ar 1 UNL111111111 -0.2137 21 C -4.1159 0.7279 1.2163 C.ar 1 UNL111111111 -0.0800 22 C -2.3868 2.3652 0.9597 C.ar 1 UNL111111111 0.0573 23 C -3.6971 2.0523 1.3337 C.ar 1 UNL111111111 -0.2475 24 H 0.3320 0.6697 -1.0241 H 1 UNL111111111 0.1765 25 H 1.0753 -0.9300 -1.0078 H 1 UNL111111111 0.1421 26 H -2.4963 -1.9129 -1.1912 H 1 UNL111111111 0.1501 27 H -0.8719 -2.4479 -1.6235 H 1 UNL111111111 0.1489 28 H 1.2171 -0.6726 1.6236 H 1 UNL111111111 0.1396 29 H 0.6775 0.9894 1.3940 H 1 UNL111111111 0.1703 30 H -2.2475 -1.3294 -3.4060 H 1 UNL111111111 0.1270 31 H 4.6238 0.0666 0.6280 H 1 UNL111111111 0.1334 32 H 2.4607 1.3174 -1.3385 H 1 UNL111111111 0.1006 33 H 0.4556 0.0926 -2.9963 H 1 UNL111111111 0.1487 34 H -0.3498 -0.3235 -4.5012 H 1 UNL111111111 0.1419 35 H 0.3101 -1.6039 -3.4804 H 1 UNL111111111 0.1376 36 H -2.3840 1.1096 -3.5467 H 1 UNL111111111 0.1401 37 H -1.4955 1.3348 -2.0411 H 1 UNL111111111 0.1640 38 H -3.1102 0.6178 -2.0131 H 1 UNL111111111 0.1459 39 H 4.4918 -1.8960 -0.8199 H 1 UNL111111111 0.1466 40 H 2.7309 -1.9247 -0.8026 H 1 UNL111111111 0.1369 41 H 3.5865 -0.6083 -1.6170 H 1 UNL111111111 0.1472 42 H 3.4439 -0.8448 2.7071 H 1 UNL111111111 0.1644 43 H 4.4827 -1.9946 1.8512 H 1 UNL111111111 0.1407 44 H 2.7266 -2.1158 1.7071 H 1 UNL111111111 0.1399 45 H 4.2204 3.1691 -0.9476 H 1 UNL111111111 0.1446 46 H 4.5408 2.4636 0.6415 H 1 UNL111111111 0.1594 47 H 4.8700 1.5356 -0.8338 H 1 UNL111111111 0.1377 48 H 0.7389 2.5871 -0.0351 H 1 UNL111111111 0.1704 49 H 1.9679 3.7251 -0.5954 H 1 UNL111111111 0.1374 50 H 1.9655 3.1751 1.0914 H 1 UNL111111111 0.1599 51 H -3.5298 -1.2745 0.6688 H 1 UNL111111111 0.1809 52 H 0.9570 -2.7716 0.1481 H 1 UNL111111111 0.3043 53 H 0.2763 -3.6439 1.4448 H 1 UNL111111111 0.3128 54 H -5.1261 0.4415 1.5061 H 1 UNL111111111 0.1547 55 H -1.9922 3.3845 1.0341 H 1 UNL111111111 0.1660 56 H -4.3646 2.8196 1.7100 H 1 UNL111111111 0.1607 @BOND 1 1 13 2 2 2 8 1 3 2 11 1 4 2 12 1 5 3 10 ar 6 3 22 ar 7 4 13 am 8 4 52 1 9 4 53 1 10 5 6 1 11 5 7 1 12 5 10 1 13 5 13 1 14 6 8 1 15 6 24 1 16 6 25 1 17 7 9 1 18 7 26 1 19 7 27 1 20 8 28 1 21 8 29 1 22 9 14 1 23 9 15 1 24 9 30 1 25 10 20 ar 26 11 16 1 27 11 17 1 28 11 31 1 29 12 18 1 30 12 19 1 31 12 32 1 32 14 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1 38 16 39 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 17 44 1 44 18 45 1 45 18 46 1 46 18 47 1 47 19 48 1 48 19 49 1 49 19 50 1 50 20 21 ar 51 20 51 1 52 21 23 ar 53 21 54 1 54 22 23 ar 55 22 55 1 56 23 56 1