@MOLECULE DB03480 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 3.4171 1.1943 -0.0326 F 1 noname -0.1651 2 C1 2.1163 1.1822 -0.0138 C.2 1 noname 0.0328 3 C2 1.4315 -0.0661 -0.0629 C.2 1 noname 0.0279 4 C3 1.4041 2.4278 0.0560 C.2 1 noname 0.0109 5 C4 0.0143 -0.0257 -0.0399 C.2 1 noname 0.0352 6 C5 -0.0213 2.4709 0.0793 C.2 1 noname 0.0063 7 C6 -0.7070 -1.2403 -0.0868 C.2 1 noname 0.0117 8 C7 -0.7089 1.2241 0.0303 C.2 1 noname 0.0269 9 C8 -2.1228 -1.2130 -0.0644 C.2 1 noname 0.0290 10 C9 -0.0314 -2.4532 -0.1546 C.2 1 noname 0.0882 11 N1 -2.0725 1.2107 0.0500 N.2 1 noname -0.2197 12 C10 -2.7857 0.0428 0.0051 C.2 1 noname 0.0172 13 C11 -2.8893 -2.4546 -0.1120 C.3 1 noname 0.0207 14 O1 -0.5388 -3.4800 0.3461 O.2 1 noname -0.2586 15 O2 1.1727 -2.5222 -0.7611 O.3 1 noname -0.2184 16 C12 -4.1749 0.0855 0.0279 C.2 1 noname -0.0290 17 C13 -4.8316 1.3086 0.0958 C.2 1 noname -0.0303 18 C14 -4.9073 -1.0951 -0.0173 C.2 1 noname -0.0303 19 C15 -6.2208 1.3513 0.1185 C.2 1 noname -0.0394 20 C16 -6.2964 -1.0524 0.0054 C.2 1 noname -0.0394 21 C17 -6.9532 0.1708 0.0733 C.2 1 noname -0.0318 22 C18 -8.3423 0.2134 0.0961 C.2 1 noname -0.0408 23 C19 -9.0747 -0.9671 0.0509 C.2 1 noname -0.0472 24 C20 -8.9991 1.4366 0.1640 C.2 1 noname -0.0472 25 C21 -10.4639 -0.9245 0.0736 C.2 1 noname -0.0576 26 C22 -10.3883 1.4792 0.1867 C.2 1 noname -0.0576 27 C23 -11.1207 0.2987 0.1415 C.2 1 noname -0.0602 28 H1 1.9694 -1.0126 -0.1159 H 1 noname 0.0660 29 H2 1.9597 3.3648 0.0923 H 1 noname 0.0654 30 H3 -0.5618 3.4159 0.1323 H 1 noname 0.0646 31 H4 -3.0977 -2.7921 0.9032 H 1 noname 0.0280 32 H5 -3.8286 -2.2818 -0.6374 H 1 noname 0.0280 33 H6 -2.3140 -3.2169 -0.6374 H 1 noname 0.0280 34 H7 1.8641 -2.5619 -0.0962 H 1 noname 0.2216 35 H8 -4.2573 2.2344 0.1312 H 1 noname 0.0629 36 H9 -4.3922 -2.0542 -0.0706 H 1 noname 0.0629 37 H10 -6.7358 2.3105 0.1718 H 1 noname 0.0629 38 H11 -6.8708 -1.9782 -0.0300 H 1 noname 0.0629 39 H12 -8.5597 -1.9263 -0.0024 H 1 noname 0.0629 40 H13 -8.4248 2.3623 0.1994 H 1 noname 0.0629 41 H14 -11.0382 -1.8502 0.0382 H 1 noname 0.0622 42 H15 -10.9033 2.4384 0.2400 H 1 noname 0.0622 43 H16 -12.2100 0.3321 0.1594 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 8 1 9 7 9 1 10 7 10 1 11 8 11 2 12 9 12 2 13 9 13 1 14 10 14 2 15 10 15 1 16 11 12 1 17 12 16 1 18 16 17 2 19 16 18 1 20 17 19 1 21 18 20 2 22 19 21 2 23 20 21 1 24 21 22 1 25 22 23 2 26 22 24 1 27 23 25 1 28 24 26 2 29 25 27 2 30 26 27 1 31 3 28 1 32 4 29 1 33 6 30 1 34 13 31 1 35 13 32 1 36 13 33 1 37 15 34 1 38 17 35 1 39 18 36 1 40 19 37 1 41 20 38 1 42 23 39 1 43 24 40 1 44 25 41 1 45 26 42 1 46 27 43 1 @SUBSTRUCTURE 1 noname 1