@MOLECULE DB04552 29 30 1 SMALL USER_CHARGES @ATOM 1 F1 -1.8308 -0.2231 0.9599 F 1 noname -0.1661 2 C1 -0.8283 -1.1567 1.0147 C.3 1 noname 0.4161 3 F2 -0.3985 -1.2903 2.3097 F 1 noname -0.1661 4 F3 -1.3009 -2.3619 0.5634 F 1 noname -0.1661 5 C2 0.2850 -0.7251 0.1745 C.2 1 noname -0.0115 6 C3 0.9554 0.5080 0.4381 C.2 1 noname -0.0238 7 C4 0.7195 -1.5313 -0.9240 C.2 1 noname -0.0484 8 C5 2.0213 0.9153 -0.4427 C.2 1 noname -0.0219 9 C6 1.8449 -1.1797 -1.7335 C.2 1 noname -0.0534 10 N1 2.3501 2.2394 -0.4894 N.3 1 noname 0.0116 11 C7 2.5241 0.0508 -1.4808 C.2 1 noname -0.0551 12 C8 1.6740 3.1802 -1.2662 C.2 1 noname 0.0756 13 N2 2.1018 4.4910 -1.2288 N.2 1 noname -0.2443 14 C9 0.5513 2.8280 -2.1001 C.2 1 noname 0.0232 15 C10 1.5277 5.5304 -1.9458 C.2 1 noname 0.0156 16 C11 0.0846 1.5206 -2.1702 C.2 1 noname 0.0942 17 C12 -0.0584 3.8716 -2.8473 C.2 1 noname 0.0091 18 C13 0.4189 5.2038 -2.7745 C.2 1 noname -0.0369 19 O1 -0.8906 1.2434 -2.9014 O.2 1 noname -0.2566 20 O2 0.6845 0.5502 -1.4485 O.3 1 noname -0.2170 21 H1 0.6612 1.1222 1.2892 H 1 noname 0.0645 22 H2 0.1733 -2.4465 -1.1524 H 1 noname 0.0628 23 H3 2.1804 -1.8408 -2.5325 H 1 noname 0.0623 24 H4 3.1308 2.5372 0.0779 H 1 noname 0.1357 25 H5 3.4032 0.3231 -2.0649 H 1 noname 0.0639 26 H6 1.9239 6.5424 -1.8630 H 1 noname 0.0839 27 H7 -0.9097 3.6455 -3.4894 H 1 noname 0.0632 28 H8 -0.0702 5.9824 -3.3598 H 1 noname 0.0639 29 H9 0.5723 0.7317 -0.5125 H 1 noname 0.2216 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 1 17 14 17 2 18 15 18 2 19 16 19 2 20 16 20 1 21 17 18 1 22 6 21 1 23 7 22 1 24 9 23 1 25 10 24 1 26 11 25 1 27 15 26 1 28 17 27 1 29 18 28 1 30 20 29 1 @SUBSTRUCTURE 1 noname 1