@MOLECULE DB07271 47 48 1 SMALL USER_CHARGES @ATOM 1 F1 2.8283 5.0287 -6.7920 F 1 noname -0.1491 2 C1 2.8599 5.7249 -5.6934 C.2 1 noname 0.0861 3 C2 2.0059 6.8719 -5.5765 C.2 1 noname 0.0669 4 C3 3.7475 5.3182 -4.6422 C.2 1 noname 0.0585 5 F2 1.2159 7.2127 -6.5524 F 1 noname -0.1524 6 C4 2.0397 7.6310 -4.3701 C.2 1 noname 0.0275 7 C5 3.7790 6.0859 -3.4411 C.2 1 noname 0.0387 8 C6 2.9163 7.2295 -3.2960 C.2 1 noname 0.0106 9 F3 4.5868 5.7532 -2.4769 F 1 noname -0.1632 10 C7 2.9286 7.9730 -2.0238 C.3 1 noname -0.0091 11 C8 1.8440 7.6000 -0.9912 C.3 1 noname 0.0164 12 N1 2.0871 6.2200 -0.5905 N.3 1 noname -0.3269 13 C9 1.8875 8.5618 0.2197 C.3 1 noname 0.0369 14 C10 0.5872 8.6879 1.0628 C.2 1 noname 0.0459 15 O1 -0.3290 9.4522 0.6900 O.2 1 noname -0.2941 16 N2 0.4347 7.8949 2.3177 N.3 1 noname -0.0616 17 C11 -0.4186 8.5747 3.3720 C.3 1 noname 0.0895 18 C12 0.3714 6.3925 2.1218 C.3 1 noname 0.0083 19 C13 -1.8725 8.4400 3.2943 C.2 1 noname 0.0265 20 C14 -0.0731 8.1344 4.8181 C.3 1 noname 0.0671 21 C15 -1.0136 5.6871 2.1303 C.3 1 noname -0.0200 22 O2 -2.5717 9.3122 3.9963 O.3 1 noname -0.2607 23 N3 -2.5574 7.5747 2.6248 N.2 1 noname -0.2251 24 C16 1.3882 8.4737 5.1191 C.3 1 noname 0.3908 25 C17 -2.2002 6.5586 1.7385 C.3 1 noname 0.0428 26 F4 1.6937 8.0845 6.3977 F 1 noname -0.1710 27 F5 1.5783 9.8258 4.9953 F 1 noname -0.1710 28 F6 2.2020 7.8148 4.2341 F 1 noname -0.1710 29 H1 4.3861 4.4421 -4.7541 H 1 noname 0.0685 30 H2 1.4019 8.5092 -4.2700 H 1 noname 0.0658 31 H3 3.8835 7.7101 -1.5686 H 1 noname 0.0333 32 H4 2.7287 9.0045 -2.3139 H 1 noname 0.0333 33 H5 0.8404 7.6330 -1.4151 H 1 noname 0.0470 34 H6 1.3099 5.5901 -0.4517 H 1 noname 0.1187 35 H7 3.0327 5.8935 -0.4517 H 1 noname 0.1187 36 H8 2.6277 8.1336 0.8956 H 1 noname 0.0377 37 H9 2.0487 9.5507 -0.2093 H 1 noname 0.0377 38 H10 -0.2077 9.6120 3.1121 H 1 noname 0.0564 39 H11 0.7649 6.2382 1.1171 H 1 noname 0.0436 40 H12 0.9033 5.9890 2.9833 H 1 noname 0.0436 41 H13 -0.6779 8.7435 5.4900 H 1 noname 0.0380 42 H14 -0.1519 7.0477 4.8481 H 1 noname 0.0380 43 H15 -0.9606 4.9183 1.3595 H 1 noname 0.0298 44 H16 -1.1985 5.4073 3.1674 H 1 noname 0.0298 45 H17 -2.4401 9.1480 4.9330 H 1 noname 0.2196 46 H18 -1.9124 7.1009 0.8378 H 1 noname 0.0515 47 H19 -3.0787 5.9135 1.7288 H 1 noname 0.0515 @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 6 8 2 8 7 9 1 9 7 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 16 17 1 18 16 18 1 19 17 19 1 20 17 20 1 21 18 21 1 22 19 22 1 23 19 23 2 24 20 24 1 25 21 25 1 26 23 25 1 27 24 26 1 28 24 27 1 29 24 28 1 30 4 29 1 31 6 30 1 32 10 31 1 33 10 32 1 34 11 33 1 35 12 34 1 36 12 35 1 37 13 36 1 38 13 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 20 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 22 45 1 47 25 46 1 48 25 47 1 @SUBSTRUCTURE 1 noname 1