@MOLECULE FDBD03027 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0157 1.3058 0.0092 C.2 1 UNK -0.0994 2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK -0.0759 3 C2 -1.2926 -0.7753 0.0102 C.3 1 UNK -0.0438 4 C3 1.3172 -0.7397 -0.0145 C.3 1 UNK -0.0100 5 C4 1.4188 -1.6330 1.2210 C.3 1 UNK -0.0272 6 C5 2.6301 -2.5149 1.1534 C.2 1 UNK -0.0772 7 C6 3.2425 -2.8226 0.0166 C.2 1 UNK -0.0119 8 C7 4.4496 -3.7245 0.0393 C.3 1 UNK -0.0367 9 C8 2.7549 -2.2932 -1.2614 C.2 1 UNK 0.1592 10 O 3.4144 -2.3946 -2.2747 O.2 1 UNK -0.2924 11 C9 1.4004 -1.6152 -1.2731 C.3 1 UNK 0.0169 12 H -0.9163 1.8096 0.0205 H 1 UNK 0.0534 13 H1 0.8709 1.8339 0.0036 H 1 UNK 0.0534 14 H2 -2.1152 -0.0911 0.0217 H 1 UNK 0.0274 15 H3 -1.3326 -1.3959 0.8809 H 1 UNK 0.0274 16 H4 -1.3493 -1.3865 -0.8662 H 1 UNK 0.0274 17 H5 2.1179 -0.0299 -0.0143 H 1 UNK 0.0353 18 H6 0.5437 -2.2457 1.2818 H 1 UNK 0.0313 19 H7 1.5020 -1.0081 2.0855 H 1 UNK 0.0313 20 H8 3.0057 -2.9013 2.0335 H 1 UNK 0.0576 21 H9 4.6605 -4.0128 1.0479 H 1 UNK 0.0278 22 H10 5.2917 -3.2036 -0.3663 H 1 UNK 0.0278 23 H11 4.2537 -4.5974 -0.5476 H 1 UNK 0.0278 24 H12 1.3024 -1.0080 -2.1487 H 1 UNK 0.0351 25 H13 0.6138 -2.3405 -1.2827 H 1 UNK 0.0351 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 11 1 5 4 5 1 6 5 6 1 7 6 7 2 8 7 8 1 9 7 9 1 10 9 10 2 11 9 11 1 12 1 12 1 13 1 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 6 20 1 21 8 21 1 22 8 22 1 23 8 23 1 24 11 24 1 25 11 25 1