@MOLECULE DB01629 29 30 1 SMALL USER_CHARGES @ATOM 1 F1 1.8607 2.1017 -2.3248 F 1 noname -0.1407 2 C1 1.4433 1.6682 -1.1713 C.2 1 noname 0.0835 3 C2 1.5834 2.4114 0.0255 C.2 1 noname 0.1041 4 C3 0.8084 0.4091 -1.0050 C.2 1 noname 0.0181 5 O1 2.1417 3.5289 -0.0196 O.2 1 noname -0.2695 6 N1 1.1251 1.9446 1.2386 N.3 1 noname 0.0933 7 N2 0.3615 -0.0479 0.2239 N.3 1 noname 0.0518 8 C4 0.5022 0.7302 1.3617 C.2 1 noname 0.0355 9 C5 -0.2827 -1.3368 0.2242 C.3 1 noname 0.1510 10 O2 0.0737 0.3361 2.4679 O.2 1 noname -0.2791 11 O3 -1.6868 -1.1771 0.0125 O.3 1 noname -0.3509 12 C6 -0.1514 -2.2679 1.4505 C.3 1 noname 0.1230 13 C7 -2.1462 -2.5166 0.1970 C.3 1 noname 0.1114 14 O4 1.0056 -3.0788 1.3074 O.3 1 noname -0.3860 15 C8 -1.3966 -3.1424 1.3771 C.3 1 noname 0.1123 16 C9 -3.6469 -2.5046 0.4945 C.3 1 noname 0.0722 17 O5 -1.0225 -4.4723 1.0486 O.3 1 noname -0.3873 18 O6 -4.3405 -1.9120 -0.5937 O.3 1 noname -0.3934 19 H1 0.6559 -0.2412 -1.8665 H 1 noname 0.0790 20 H2 1.2498 2.5114 2.0652 H 1 noname 0.1419 21 H3 0.2439 -1.7705 -0.6260 H 1 noname 0.0816 22 H4 -0.0056 -1.7675 2.4078 H 1 noname 0.0671 23 H5 -1.9357 -3.0398 -0.7358 H 1 noname 0.0656 24 H6 1.3410 -3.3138 2.1757 H 1 noname 0.2107 25 H7 -1.9587 -3.2527 2.3045 H 1 noname 0.0657 26 H8 -3.9921 -3.5379 0.5312 H 1 noname 0.0591 27 H9 -3.8176 -1.8425 1.3433 H 1 noname 0.0591 28 H10 -0.8814 -4.9735 1.8551 H 1 noname 0.2106 29 H11 -4.6998 -2.6009 -1.1575 H 1 noname 0.2101 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 2 5 3 6 1 6 4 7 1 7 6 8 1 8 9 7 1 9 7 8 1 10 8 10 2 11 9 11 1 12 9 12 1 13 11 13 1 14 12 14 1 15 12 15 1 16 13 16 1 17 13 15 1 18 15 17 1 19 16 18 1 20 4 19 1 21 6 20 1 22 9 21 1 23 12 22 1 24 13 23 1 25 14 24 1 26 15 25 1 27 16 26 1 28 16 27 1 29 17 28 1 30 18 29 1 @SUBSTRUCTURE 1 noname 1