@MOLECULE benomyl 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2579 -2.0817 0.1342 O.2 1 UNL1111111111 -0.5418 2 O 4.0134 -2.1140 0.1611 O.3 1 UNL1111111111 -0.4044 3 O 4.3023 0.1507 0.1009 O.2 1 UNL1111111111 -0.4346 4 N -0.0251 0.1847 -0.0299 N.ar 1 UNL1111111111 -0.5007 5 N -1.9112 -0.9319 -0.9495 N.am 1 UNL1111111111 -0.5726 6 N 1.8292 1.5571 0.0218 N.ar 1 UNL1111111111 -0.4113 7 N 2.1863 -0.8577 0.0605 N.am 1 UNL1111111111 -0.5514 8 C -3.7209 -2.3828 -0.0122 C.3 1 UNL1111111111 -0.3059 9 C -2.7309 -2.1351 -1.1603 C.3 1 UNL1111111111 -0.0503 10 C -0.4953 1.5208 -0.0341 C.ar 1 UNL1111111111 0.0671 11 C -4.7094 -1.2261 0.1689 C.3 1 UNL1111111111 -0.2427 12 C 0.6733 2.3538 -0.0083 C.ar 1 UNL1111111111 0.1072 13 C 1.4199 0.2905 0.0219 C.ar 1 UNL1111111111 0.5129 14 C -0.7419 -1.0295 -0.2415 C.2 1 UNL1111111111 0.7352 15 C -1.7639 2.0809 0.0140 C.ar 1 UNL1111111111 -0.2033 16 C 0.5682 3.7415 -0.0061 C.ar 1 UNL1111111111 -0.1150 17 C -5.7303 -1.5578 1.2583 C.3 1 UNL1111111111 -0.4400 18 C -1.8520 3.4713 0.0248 C.ar 1 UNL1111111111 -0.1258 19 C -0.7109 4.2845 0.0032 C.ar 1 UNL1111111111 -0.1609 20 C 3.5874 -0.8112 0.1092 C.2 1 UNL1111111111 0.7099 21 C 5.4303 -2.2538 0.2545 C.3 1 UNL1111111111 -0.1569 22 H -3.1646 -2.5603 0.9303 H 1 UNL1111111111 0.1624 23 H -4.2731 -3.3226 -0.2116 H 1 UNL1111111111 0.1474 24 H -3.2690 -2.0100 -2.1275 H 1 UNL1111111111 0.1425 25 H -2.0630 -3.0243 -1.2750 H 1 UNL1111111111 0.1669 26 H -4.1640 -0.3020 0.4455 H 1 UNL1111111111 0.1327 27 H -5.2293 -1.0079 -0.7815 H 1 UNL1111111111 0.1314 28 H -2.3228 -0.0413 -1.1926 H 1 UNL1111111111 0.3238 29 H -2.6625 1.4764 0.0741 H 1 UNL1111111111 0.1518 30 H 1.4662 4.3626 -0.0041 H 1 UNL1111111111 0.1783 31 H -5.2405 -1.7618 2.2187 H 1 UNL1111111111 0.1489 32 H -6.4347 -0.7306 1.4116 H 1 UNL1111111111 0.1426 33 H -6.3190 -2.4472 1.0006 H 1 UNL1111111111 0.1420 34 H -2.8374 3.9484 0.0567 H 1 UNL1111111111 0.1536 35 H -0.8337 5.3664 0.0099 H 1 UNL1111111111 0.1544 36 H 1.6927 -1.7594 0.1184 H 1 UNL1111111111 0.3732 37 H 5.5560 -3.3437 0.2869 H 1 UNL1111111111 0.1482 38 H 5.9169 -1.8220 -0.6273 H 1 UNL1111111111 0.1426 39 H 5.7998 -1.7817 1.1700 H 1 UNL1111111111 0.1427 @BOND 1 1 14 2 2 2 20 1 3 2 21 1 4 3 20 2 5 4 10 ar 6 4 13 ar 7 4 14 am 8 5 9 1 9 5 14 am 10 5 28 1 11 6 12 ar 12 6 13 ar 13 7 13 1 14 7 20 am 15 7 36 1 16 8 9 1 17 8 11 1 18 8 22 1 19 8 23 1 20 9 24 1 21 9 25 1 22 10 12 ar 23 10 15 ar 24 11 17 1 25 11 26 1 26 11 27 1 27 12 16 ar 28 15 18 ar 29 15 29 1 30 16 19 ar 31 16 30 1 32 17 31 1 33 17 32 1 34 17 33 1 35 18 19 ar 36 18 34 1 37 19 35 1 38 21 37 1 39 21 38 1 40 21 39 1