@MOLECULE 125338 39 41 1 SMALL USER_CHARGES @ATOM 1 F1 4.8314 -5.1409 -0.0908 F 1 noname -0.1549 2 C1 3.7283 -4.4560 -0.0097 C.2 1 noname 0.0456 3 C2 2.5334 -5.0966 0.2970 C.2 1 noname 0.0243 4 C3 3.7446 -3.0836 -0.2296 C.2 1 noname 0.0034 5 O1 2.5176 -6.4295 0.5106 O.3 1 noname -0.2671 6 C4 1.3549 -4.3648 0.3837 C.2 1 noname -0.0164 7 C5 2.5660 -2.3518 -0.1429 C.2 1 noname -0.0267 8 C6 2.2881 -7.1031 -0.7182 C.3 1 noname 0.0424 9 C7 1.3711 -2.9924 0.1637 C.2 1 noname -0.0496 10 N1 2.5827 -0.9461 -0.3682 N.3 1 noname 0.0080 11 C8 1.7148 0.1125 -0.3866 C.2 1 noname 0.0623 12 N2 2.4719 1.2183 -0.6917 N.2 1 noname -0.2490 13 C9 0.2813 0.2539 -0.1627 C.2 1 noname 0.0095 14 C10 1.9852 2.4902 -0.8093 C.2 1 noname 0.0085 15 C11 -0.6345 -0.8147 0.1637 C.2 1 noname 0.0827 16 C12 -0.2174 1.5913 -0.2887 C.2 1 noname -0.0056 17 C13 0.6037 2.7080 -0.6064 C.2 1 noname -0.0425 18 N3 -1.9864 -0.6330 0.3672 N.2 1 noname -0.2174 19 N4 -0.1519 -2.0866 0.2820 N.2 1 noname -0.2388 20 C14 -2.7926 -1.6953 0.6738 C.2 1 noname 0.0964 21 C15 -0.9358 -3.1605 0.5866 C.2 1 noname 0.0686 22 N5 -2.2643 -2.9521 0.7819 N.2 1 noname -0.2276 23 N6 -4.1044 -1.5034 0.8688 N.3 1 noname -0.0771 24 C16 -0.3626 -4.4985 0.6999 C.3 1 noname 0.0696 25 H1 4.6816 -2.5812 -0.4701 H 1 noname 0.0671 26 H2 0.4179 -4.8671 0.6241 H 1 noname 0.0651 27 H3 2.3189 -8.1801 -0.5534 H 1 noname 0.0535 28 H4 1.3098 -6.8231 -1.1088 H 1 noname 0.0535 29 H5 3.0595 -6.8231 -1.4356 H 1 noname 0.0535 30 H6 0.4469 -2.4185 0.2317 H 1 noname 0.0640 31 H7 3.5013 -0.5856 -0.5831 H 1 noname 0.1357 32 H8 2.6724 3.2997 -1.0555 H 1 noname 0.0839 33 H9 -1.2816 1.7694 -0.1340 H 1 noname 0.0631 34 H10 0.1829 3.7098 -0.6927 H 1 noname 0.0639 35 H11 -4.4722 -0.5656 0.9423 H 1 noname 0.1273 36 H12 -4.7253 -2.2966 0.9423 H 1 noname 0.1273 37 H13 -0.2513 -4.7582 1.7526 H 1 noname 0.0312 38 H14 -1.0223 -5.2186 0.2158 H 1 noname 0.0312 39 H15 0.6138 -4.5177 0.2158 H 1 noname 0.0312 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 2 17 14 17 2 18 15 18 2 19 15 19 1 20 16 17 1 21 18 20 1 22 19 21 2 23 20 22 2 24 20 23 1 25 21 24 1 26 21 22 1 27 4 25 1 28 6 26 1 29 8 27 1 30 8 28 1 31 8 29 1 32 9 30 1 33 10 31 1 34 14 32 1 35 16 33 1 36 17 34 1 37 23 35 1 38 23 36 1 39 24 37 1 40 24 38 1 41 24 39 1 @SUBSTRUCTURE 1 noname 1