@MOLECULE fagaronine 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.9917 -1.6439 -0.1882 O.3 1 UNL1111 -0.3376 2 O 5.5129 1.1783 -0.4192 O.3 1 UNL1111 -0.3376 3 O -5.5588 1.0356 -0.6459 O.3 1 UNL1111 -0.3425 4 O -6.0571 -1.5317 -0.0354 O.3 1 UNL1111 -0.4484 5 N -0.4704 1.6581 0.3832 N.ar 1 UNL1111 -0.2791 6 C -0.7716 0.2774 0.3227 C.ar 1 UNL1111 0.1446 7 C 0.2590 -0.6748 0.3426 C.ar 1 UNL1111 -0.0517 8 C 1.6347 -0.2589 0.1953 C.ar 1 UNL1111 -0.0427 9 C -2.1335 -0.1478 0.1711 C.ar 1 UNL1111 -0.0571 10 C 1.9033 1.1391 0.1256 C.ar 1 UNL1111 0.0075 11 C -2.4415 -1.5152 0.3649 C.ar 1 UNL1111 0.0272 12 C 0.8522 2.0586 0.2717 C.ar 1 UNL1111 -0.1198 13 C -0.0835 -2.0449 0.5026 C.ar 1 UNL1111 -0.1203 14 C -1.3896 -2.4493 0.5689 C.ar 1 UNL1111 -0.1732 15 C 2.6938 -1.1688 0.0627 C.ar 1 UNL1111 -0.1739 16 C -3.1697 0.7400 -0.2307 C.ar 1 UNL1111 -0.2351 17 C 3.2336 1.5965 -0.0494 C.ar 1 UNL1111 -0.2244 18 C -1.2885 2.5054 1.2745 C.3 1 UNL1111 -0.2585 19 C -3.7892 -1.9577 0.3131 C.ar 1 UNL1111 -0.2331 20 C 3.9909 -0.7078 -0.1267 C.ar 1 UNL1111 0.1032 21 C 4.2629 0.6794 -0.1644 C.ar 1 UNL1111 0.1583 22 C -4.4639 0.2952 -0.3102 C.ar 1 UNL1111 0.1158 23 C -4.7842 -1.0654 -0.0047 C.ar 1 UNL1111 0.2183 24 C 5.5661 -1.7421 -1.4918 C.3 1 UNL1111 -0.2001 25 C 6.4702 0.8480 0.5855 C.3 1 UNL1111 -0.1979 26 C -5.3096 2.2616 -1.3208 C.3 1 UNL1111 -0.1843 27 H 1.0346 3.1290 0.2844 H 1 UNL1111 0.1651 28 H 0.7189 -2.7779 0.5966 H 1 UNL1111 0.1596 29 H -1.6439 -3.4923 0.7473 H 1 UNL1111 0.1603 30 H 2.5200 -2.2437 0.0922 H 1 UNL1111 0.1716 31 H -2.9096 1.7568 -0.5163 H 1 UNL1111 0.1756 32 H 3.4452 2.6612 -0.0950 H 1 UNL1111 0.1717 33 H -2.1378 1.9509 1.7086 H 1 UNL1111 0.1626 34 H -0.6958 2.8943 2.1211 H 1 UNL1111 0.1487 35 H -1.6804 3.3621 0.7000 H 1 UNL1111 0.1488 36 H -4.0302 -3.0004 0.5111 H 1 UNL1111 0.1824 37 H -6.6887 -0.8261 -0.3315 H 1 UNL1111 0.3375 38 H 4.8175 -2.1009 -2.2049 H 1 UNL1111 0.1316 39 H 6.3592 -2.4845 -1.3518 H 1 UNL1111 0.1414 40 H 5.9815 -0.7808 -1.8142 H 1 UNL1111 0.1431 41 H 6.6250 -0.2347 0.6449 H 1 UNL1111 0.1465 42 H 6.1566 1.2479 1.5542 H 1 UNL1111 0.1308 43 H 7.3738 1.3543 0.2279 H 1 UNL1111 0.1424 44 H -4.7009 2.1031 -2.2173 H 1 UNL1111 0.1404 45 H -4.8437 2.9833 -0.6424 H 1 UNL1111 0.1331 46 H -6.3227 2.5871 -1.5929 H 1 UNL1111 0.1492 @BOND 1 1 20 1 2 1 24 1 3 2 21 1 4 2 25 1 5 3 22 1 6 3 26 1 7 4 23 1 8 4 37 1 9 5 6 ar 10 5 12 ar 11 5 18 1 12 6 7 ar 13 6 9 ar 14 7 8 ar 15 7 13 ar 16 8 10 ar 17 8 15 ar 18 9 11 ar 19 9 16 ar 20 10 12 ar 21 10 17 ar 22 11 14 ar 23 11 19 ar 24 12 27 1 25 13 14 ar 26 13 28 1 27 14 29 1 28 15 20 ar 29 15 30 1 30 16 22 ar 31 16 31 1 32 17 21 ar 33 17 32 1 34 18 33 1 35 18 34 1 36 18 35 1 37 19 23 ar 38 19 36 1 39 20 21 ar 40 22 23 ar 41 24 38 1 42 24 39 1 43 24 40 1 44 25 41 1 45 25 42 1 46 25 43 1 47 26 44 1 48 26 45 1 49 26 46 1