@MOLECULE bumadizone 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4559 -1.2410 1.0469 O.2 1 UNL1111111111 -0.4640 2 O -1.5211 3.1997 0.1763 O.3 1 UNL1111111111 -0.5505 3 O -0.5982 1.9747 1.7945 O.2 1 UNL1111111111 -0.5035 4 N 0.0724 -0.6679 -0.5053 N.am 1 UNL1111111111 -0.3797 5 N 0.5757 0.4228 -1.2522 N.pl3 1 UNL1111111111 -0.3407 6 C -3.3137 0.7257 0.3968 C.3 1 UNL1111111111 -0.2553 7 C -1.8406 0.8871 -0.0115 C.3 1 UNL1111111111 -0.2499 8 C -4.0390 -0.2315 -0.5560 C.3 1 UNL1111111111 -0.2672 9 C -5.5174 -0.3600 -0.1661 C.3 1 UNL1111111111 -0.2486 10 C -1.0735 -0.3944 0.2770 C.2 1 UNL1111111111 0.5967 11 C -1.2346 2.0164 0.7758 C.2 1 UNL1111111111 0.6528 12 C -6.2461 -1.3126 -1.1141 C.3 1 UNL1111111111 -0.4430 13 C 0.9999 -1.7007 -0.1327 C.ar 1 UNL1111111111 0.1582 14 C 1.7915 1.0205 -0.7728 C.ar 1 UNL1111111111 0.1278 15 C 1.1973 -2.0637 1.2040 C.ar 1 UNL1111111111 -0.1727 16 C 1.6998 -2.3477 -1.1604 C.ar 1 UNL1111111111 -0.1980 17 C 2.1066 -3.0739 1.5043 C.ar 1 UNL1111111111 -0.1201 18 C 2.6095 -3.3499 -0.8407 C.ar 1 UNL1111111111 -0.1255 19 C 2.6595 1.5759 -1.7240 C.ar 1 UNL1111111111 -0.2289 20 C 2.0562 1.1607 0.5935 C.ar 1 UNL1111111111 -0.1977 21 C 2.8174 -3.7119 0.4890 C.ar 1 UNL1111111111 -0.1608 22 C 3.7829 2.2768 -1.2978 C.ar 1 UNL1111111111 -0.1051 23 C 3.1879 1.8588 1.0028 C.ar 1 UNL1111111111 -0.0993 24 C 4.0525 2.4169 0.0626 C.ar 1 UNL1111111111 -0.1828 25 H -3.8131 1.7148 0.3942 H 1 UNL1111111111 0.1503 26 H -3.3795 0.3421 1.4375 H 1 UNL1111111111 0.1672 27 H -1.7851 1.1334 -1.1103 H 1 UNL1111111111 0.2152 28 H -3.5571 -1.2303 -0.5265 H 1 UNL1111111111 0.1559 29 H -3.9523 0.1208 -1.6002 H 1 UNL1111111111 0.1357 30 H -6.0045 0.6326 -0.1794 H 1 UNL1111111111 0.1305 31 H -5.6024 -0.7279 0.8748 H 1 UNL1111111111 0.1388 32 H -6.2110 -0.9558 -2.1489 H 1 UNL1111111111 0.1401 33 H -5.8003 -2.3141 -1.0946 H 1 UNL1111111111 0.1467 34 H -7.3009 -1.4184 -0.8383 H 1 UNL1111111111 0.1395 35 H 0.6495 0.1102 -2.2352 H 1 UNL1111111111 0.2851 36 H 0.6406 -1.5740 2.0052 H 1 UNL1111111111 0.1833 37 H 1.5290 -2.0798 -2.1994 H 1 UNL1111111111 0.1548 38 H -1.1269 3.9805 0.6393 H 1 UNL1111111111 0.3551 39 H 2.2644 -3.3630 2.5431 H 1 UNL1111111111 0.1565 40 H 3.1584 -3.8546 -1.6345 H 1 UNL1111111111 0.1527 41 H 2.4583 1.4692 -2.7865 H 1 UNL1111111111 0.1547 42 H 1.3815 0.7386 1.3400 H 1 UNL1111111111 0.1816 43 H 3.5322 -4.4945 0.7351 H 1 UNL1111111111 0.1540 44 H 4.4571 2.7142 -2.0329 H 1 UNL1111111111 0.1495 45 H 3.3936 1.9698 2.0678 H 1 UNL1111111111 0.1568 46 H 4.9356 2.9602 0.3899 H 1 UNL1111111111 0.1538 @BOND 1 1 10 2 2 2 11 1 3 2 38 1 4 3 11 2 5 4 5 1 6 4 10 am 7 4 13 1 8 5 14 1 9 5 35 1 10 6 7 1 11 6 8 1 12 6 25 1 13 6 26 1 14 7 10 1 15 7 11 1 16 7 27 1 17 8 9 1 18 8 28 1 19 8 29 1 20 9 12 1 21 9 30 1 22 9 31 1 23 12 32 1 24 12 33 1 25 12 34 1 26 13 15 ar 27 13 16 ar 28 14 19 ar 29 14 20 ar 30 15 17 ar 31 15 36 1 32 16 18 ar 33 16 37 1 34 17 21 ar 35 17 39 1 36 18 21 ar 37 18 40 1 38 19 22 ar 39 19 41 1 40 20 23 ar 41 20 42 1 42 21 43 1 43 22 24 ar 44 22 44 1 45 23 24 ar 46 23 45 1 47 24 46 1