@MOLECULE 57514438 29 28 1 SMALL USER_CHARGES @ATOM 1 F1 -3.5651 0.9847 -4.7520 F 1 noname -0.2509 2 O1 2.8842 0.0721 1.4248 O.3 1 noname -0.2145 3 O2 3.0006 -3.0879 -1.6730 O.3 1 noname -0.2145 4 O3 2.9090 -2.1791 1.3634 O.2 1 noname -0.2503 5 O4 0.9081 -3.0861 -0.8399 O.2 1 noname -0.2503 6 C1 2.1314 -1.0984 -0.5722 C.3 1 noname 0.1384 7 C2 0.7688 -0.4029 -0.5893 C.3 1 noname -0.0289 8 C3 0.2133 -0.4041 -2.0149 C.3 1 noname -0.0516 9 C4 -1.1493 0.2915 -2.0319 C.3 1 noname -0.0508 10 C5 3.0963 -0.3525 -1.4961 C.3 1 noname -0.0406 11 C6 -1.7048 0.2903 -3.4575 C.3 1 noname -0.0246 12 C7 2.6614 -1.0973 0.7882 C.2 1 noname 0.1430 13 C8 1.9810 -2.4750 -1.0348 C.2 1 noname 0.1430 14 C9 -3.0674 0.9858 -3.4745 C.3 1 noname 0.0895 15 H1 0.0814 -0.9343 0.0689 H 1 noname 0.0283 16 H2 0.8811 0.6248 -0.2439 H 1 noname 0.0283 17 H3 0.1010 -1.4318 -2.3602 H 1 noname 0.0267 18 H4 0.9007 0.1273 -2.6731 H 1 noname 0.0267 19 H5 -1.8367 -0.2399 -1.3737 H 1 noname 0.0267 20 H6 -1.0370 1.3192 -1.6866 H 1 noname 0.0267 21 H7 4.0671 -0.8480 -1.4840 H 1 noname 0.0247 22 H8 2.7006 -0.3534 -2.5118 H 1 noname 0.0247 23 H9 3.2086 0.6752 -1.1508 H 1 noname 0.0247 24 H10 -1.8171 -0.7375 -3.8028 H 1 noname 0.0293 25 H11 -1.0174 0.8217 -4.1157 H 1 noname 0.0293 26 H12 -3.7548 0.4544 -2.8163 H 1 noname 0.0623 27 H13 -2.9551 2.0135 -3.1292 H 1 noname 0.0623 28 H14 3.1106 -4.0590 -1.6010 H 1 noname 0.2213 29 H15 2.8078 0.1211 2.4006 H 1 noname 0.2213 @BOND 1 1 14 1 2 2 12 1 3 2 29 1 4 3 13 1 5 3 28 1 6 4 12 2 7 5 13 2 8 6 7 1 9 6 10 1 10 6 12 1 11 6 13 1 12 7 8 1 13 7 15 1 14 7 16 1 15 8 9 1 16 8 17 1 17 8 18 1 18 9 11 1 19 9 19 1 20 9 20 1 21 10 21 1 22 10 22 1 23 10 23 1 24 11 14 1 25 11 24 1 26 11 25 1 27 14 26 1 28 14 27 1 @SUBSTRUCTURE 1 noname 1