@MOLECULE florifenine 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.3592 3.5208 -1.0716 F 1 UNL1111111111 -0.2009 2 F 6.1571 3.0098 0.8084 F 1 UNL1111111111 -0.1986 3 F 6.8417 2.0402 -0.9361 F 1 UNL1111111111 -0.2004 4 O -3.6573 -0.6180 0.2508 O.3 1 UNL1111111111 -0.4243 5 O -1.6115 0.2212 0.6004 O.2 1 UNL1111111111 -0.5723 6 N -6.4029 1.6683 0.8208 N.3 1 UNL1111111111 -0.4085 7 N 0.4523 -1.3998 0.1525 N.pl3 1 UNL1111111111 -0.5138 8 N 4.5287 -2.0437 1.0259 N.ar 1 UNL1111111111 -0.3973 9 C -6.1167 3.0357 0.3102 C.3 1 UNL1111111111 -0.1148 10 C -7.8669 1.4902 0.6342 C.3 1 UNL1111111111 -0.1099 11 C -7.1770 3.3855 -0.7618 C.3 1 UNL1111111111 -0.2971 12 C -8.3098 2.3625 -0.5644 C.3 1 UNL1111111111 -0.3002 13 C -5.6211 0.6309 0.1121 C.3 1 UNL1111111111 -0.1521 14 C -4.2204 0.6054 0.7512 C.3 1 UNL1111111111 -0.0116 15 C -2.3100 -0.7088 0.2435 C.2 1 UNL1111111111 0.6482 16 C -1.8534 -2.0098 -0.2495 C.ar 1 UNL1111111111 -0.2907 17 C -0.4735 -2.3354 -0.2921 C.ar 1 UNL1111111111 0.3194 18 C 2.7370 -0.5737 0.2255 C.ar 1 UNL1111111111 -0.1250 19 C 1.7994 -1.6504 0.4332 C.ar 1 UNL1111111111 0.2710 20 C 4.0932 -0.8308 0.5428 C.ar 1 UNL1111111111 0.1692 21 C -2.7942 -2.9453 -0.7009 C.ar 1 UNL1111111111 0.0020 22 C 2.3849 0.6993 -0.2873 C.ar 1 UNL1111111111 -0.1143 23 C 4.6892 1.4081 -0.1434 C.ar 1 UNL1111111111 -0.1045 24 C 5.0729 0.1899 0.3566 C.ar 1 UNL1111111111 -0.0949 25 C -0.0774 -3.5688 -0.8528 C.ar 1 UNL1111111111 -0.3025 26 C 2.2558 -2.8531 0.9378 C.ar 1 UNL1111111111 -0.3503 27 C 3.3369 1.6726 -0.4671 C.ar 1 UNL1111111111 -0.1279 28 C -2.3937 -4.1708 -1.2084 C.ar 1 UNL1111111111 -0.2622 29 C -1.0295 -4.4700 -1.2958 C.ar 1 UNL1111111111 -0.0151 30 C 3.6418 -3.0041 1.2120 C.ar 1 UNL1111111111 0.1138 31 C 5.7324 2.4745 -0.3364 C.3 1 UNL1111111111 0.5468 32 H -5.0875 3.1268 -0.0770 H 1 UNL1111111111 0.1326 33 H -6.1976 3.7221 1.1812 H 1 UNL1111111111 0.1473 34 H -8.3487 1.8397 1.5737 H 1 UNL1111111111 0.1467 35 H -8.1447 0.4303 0.5081 H 1 UNL1111111111 0.1303 36 H -6.7537 3.3215 -1.7760 H 1 UNL1111111111 0.1377 37 H -7.5374 4.4182 -0.6407 H 1 UNL1111111111 0.1410 38 H -8.4561 1.7510 -1.4682 H 1 UNL1111111111 0.1370 39 H -9.2732 2.8545 -0.3640 H 1 UNL1111111111 0.1410 40 H -6.1013 -0.3629 0.2572 H 1 UNL1111111111 0.1522 41 H -5.5515 0.7894 -0.9830 H 1 UNL1111111111 0.1311 42 H -3.5976 1.4689 0.4651 H 1 UNL1111111111 0.1462 43 H -4.2602 0.5219 1.8519 H 1 UNL1111111111 0.1531 44 H 0.0878 -0.4593 0.3885 H 1 UNL1111111111 0.3648 45 H 1.3449 0.9075 -0.5494 H 1 UNL1111111111 0.1694 46 H -3.8607 -2.7013 -0.6529 H 1 UNL1111111111 0.1688 47 H 6.1080 -0.0458 0.6256 H 1 UNL1111111111 0.1928 48 H 0.9797 -3.8009 -0.9688 H 1 UNL1111111111 0.1768 49 H 1.5798 -3.6748 1.1602 H 1 UNL1111111111 0.1872 50 H 3.0430 2.6482 -0.8588 H 1 UNL1111111111 0.1767 51 H -3.1311 -4.8925 -1.5486 H 1 UNL1111111111 0.1613 52 H -0.7141 -5.4231 -1.7250 H 1 UNL1111111111 0.1498 53 H 4.0248 -3.9559 1.6063 H 1 UNL1111111111 0.1748 @BOND 1 1 31 1 2 2 31 1 3 3 31 1 4 4 14 1 5 4 15 1 6 5 15 2 7 6 9 1 8 6 10 1 9 6 13 1 10 7 17 1 11 7 19 1 12 7 44 1 13 8 20 ar 14 8 30 ar 15 9 11 1 16 9 32 1 17 9 33 1 18 10 12 1 19 10 34 1 20 10 35 1 21 11 12 1 22 11 36 1 23 11 37 1 24 12 38 1 25 12 39 1 26 13 14 1 27 13 40 1 28 13 41 1 29 14 42 1 30 14 43 1 31 15 16 1 32 16 17 ar 33 16 21 ar 34 17 25 ar 35 18 19 ar 36 18 20 ar 37 18 22 ar 38 19 26 ar 39 20 24 ar 40 21 28 ar 41 21 46 1 42 22 27 ar 43 22 45 1 44 23 24 ar 45 23 27 ar 46 23 31 1 47 24 47 1 48 25 29 ar 49 25 48 1 50 26 30 ar 51 26 49 1 52 27 50 1 53 28 29 ar 54 28 51 1 55 29 52 1 56 30 53 1