@MOLECULE hemibastadinol 1 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.5415 1.2912 -0.7228 Br 1 UNL111111111 -0.0215 2 BR 0.5344 2.3558 1.4418 Br 1 UNL111111111 -0.0010 3 O 0.4285 -4.5569 0.2978 O.3 1 UNL111111111 -0.5341 4 O 3.0172 -3.8600 0.4907 O.2 1 UNL111111111 -0.5391 5 O -5.1952 -1.1370 -0.3302 O.3 1 UNL111111111 -0.4434 6 O 1.5027 3.7740 -0.9681 O.3 1 UNL111111111 -0.4337 7 N 2.8279 -2.2197 -1.0673 N.am 1 UNL111111111 -0.5815 8 C 0.7807 -3.2809 -0.1651 C.3 1 UNL111111111 0.0811 9 C 0.2120 -2.2070 0.7795 C.3 1 UNL111111111 -0.3188 10 C 4.2610 -1.9142 -1.0364 C.3 1 UNL111111111 -0.0515 11 C 4.5824 -0.8267 0.0136 C.3 1 UNL111111111 -0.3147 12 C -1.2269 -1.9429 0.4707 C.ar 1 UNL111111111 -0.0548 13 C 2.3094 -3.1552 -0.2023 C.2 1 UNL111111111 0.5168 14 C 3.7978 0.4184 -0.2490 C.ar 1 UNL111111111 -0.0472 15 C -1.6305 -0.6692 0.0616 C.ar 1 UNL111111111 -0.1054 16 C -2.1667 -2.9702 0.6011 C.ar 1 UNL111111111 -0.0719 17 C 2.7343 0.7568 0.5944 C.ar 1 UNL111111111 -0.1244 18 C 4.1087 1.2312 -1.3423 C.ar 1 UNL111111111 -0.1041 19 C -2.9728 -0.4282 -0.1950 C.ar 1 UNL111111111 -0.1241 20 C -3.5116 -2.7379 0.3363 C.ar 1 UNL111111111 -0.2989 21 C -3.9068 -1.4568 -0.0585 C.ar 1 UNL111111111 0.2659 22 C 1.9775 1.8873 0.3249 C.ar 1 UNL111111111 -0.1233 23 C 3.3580 2.3692 -1.6180 C.ar 1 UNL111111111 -0.2880 24 C 2.2889 2.6890 -0.7774 C.ar 1 UNL111111111 0.2644 25 H 0.3222 -3.2396 -1.1805 H 1 UNL111111111 0.1671 26 H 0.3139 -2.5546 1.8323 H 1 UNL111111111 0.1763 27 H 0.8112 -1.2758 0.7240 H 1 UNL111111111 0.1555 28 H 4.8323 -2.8445 -0.7981 H 1 UNL111111111 0.1679 29 H 4.5760 -1.5841 -2.0505 H 1 UNL111111111 0.1385 30 H 5.6709 -0.6164 0.0067 H 1 UNL111111111 0.1589 31 H 4.3773 -1.2304 1.0297 H 1 UNL111111111 0.1692 32 H 2.2373 -1.5560 -1.5440 H 1 UNL111111111 0.3141 33 H -0.8940 0.1273 -0.0524 H 1 UNL111111111 0.1722 34 H -1.8334 -3.9680 0.9049 H 1 UNL111111111 0.1785 35 H 2.5144 0.1323 1.4631 H 1 UNL111111111 0.1721 36 H 4.9489 0.9727 -1.9873 H 1 UNL111111111 0.1569 37 H 1.1097 -4.9031 0.9266 H 1 UNL111111111 0.3410 38 H -4.2395 -3.5365 0.4352 H 1 UNL111111111 0.1648 39 H 3.6022 2.9990 -2.4680 H 1 UNL111111111 0.1661 40 H -5.8014 -1.9109 -0.2111 H 1 UNL111111111 0.3266 41 H 1.7734 4.2941 -1.7675 H 1 UNL111111111 0.3274 @BOND 1 1 19 1 2 2 22 1 3 3 8 1 4 3 37 1 5 4 13 2 6 5 21 1 7 5 40 1 8 6 24 1 9 6 41 1 10 7 10 1 11 7 13 am 12 7 32 1 13 8 9 1 14 8 13 1 15 8 25 1 16 9 12 1 17 9 26 1 18 9 27 1 19 10 11 1 20 10 28 1 21 10 29 1 22 11 14 1 23 11 30 1 24 11 31 1 25 12 15 ar 26 12 16 ar 27 14 17 ar 28 14 18 ar 29 15 19 ar 30 15 33 1 31 16 20 ar 32 16 34 1 33 17 22 ar 34 17 35 1 35 18 23 ar 36 18 36 1 37 19 21 ar 38 20 21 ar 39 20 38 1 40 22 24 ar 41 23 24 ar 42 23 39 1