@MOLECULE DB06875 31 33 1 SMALL USER_CHARGES @ATOM 1 F1 6.2105 -1.1267 0.0000 F 1 noname -0.1554 2 C1 5.5600 -0.0000 0.0000 C.2 1 noname 0.0489 3 C2 6.2550 1.2038 0.0000 C.2 1 noname 0.0479 4 C3 4.1700 -0.0000 0.0000 C.2 1 noname 0.0133 5 O1 7.6050 1.2038 0.0000 O.3 1 noname -0.2718 6 C4 5.5600 2.4076 0.0000 C.2 1 noname -0.0132 7 C5 3.4750 1.2038 0.0000 C.2 1 noname -0.0380 8 C6 4.1700 2.4076 0.0000 C.2 1 noname -0.0411 9 C7 2.0850 1.2038 0.0000 C.2 1 noname -0.0226 10 C8 1.3900 2.4076 0.0000 C.2 1 noname 0.0000 11 C9 1.3900 0.0000 0.0000 C.2 1 noname -0.0267 12 C10 -0.0000 2.4076 0.0000 C.2 1 noname 0.0126 13 C11 0.0000 0.0000 0.0000 C.2 1 noname -0.0367 14 C12 -0.6460 3.5265 0.0000 C.1 1 noname 0.0650 15 C13 -0.6950 1.2038 0.0000 C.2 1 noname 0.0009 16 C14 -0.6950 -1.2038 0.0000 C.2 1 noname -0.0359 17 N1 -1.2200 4.5207 0.0000 N.1 1 noname -0.1831 18 C15 -2.0850 1.2038 0.0000 C.2 1 noname -0.0081 19 C16 -2.0850 -1.2038 0.0000 C.2 1 noname -0.0271 20 C17 -2.7800 0.0000 0.0000 C.2 1 noname 0.0046 21 O2 -4.1300 0.0000 0.0000 O.3 1 noname -0.2854 22 H1 3.6250 -0.9440 0.0000 H 1 noname 0.0660 23 H2 7.9250 1.2038 0.9051 H 1 noname 0.2183 24 H3 6.1050 3.3515 0.0000 H 1 noname 0.0651 25 H4 3.6250 3.3515 0.0000 H 1 noname 0.0630 26 H5 1.9350 3.3515 0.0000 H 1 noname 0.0643 27 H6 1.9350 -0.9440 0.0000 H 1 noname 0.0635 28 H7 -0.1500 -2.1477 0.0000 H 1 noname 0.0630 29 H8 -2.6300 2.1477 0.0000 H 1 noname 0.0657 30 H9 -2.6300 -2.1477 0.0000 H 1 noname 0.0650 31 H10 -4.4500 0.0000 0.9051 H 1 noname 0.2181 @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 9 10 1 11 9 11 2 12 10 12 2 13 11 13 1 14 12 14 1 15 12 15 1 16 13 16 2 17 13 15 1 18 14 17 3 19 15 18 2 20 16 19 1 21 18 20 1 22 19 20 2 23 20 21 1 24 4 22 1 25 5 23 1 26 6 24 1 27 8 25 1 28 10 26 1 29 11 27 1 30 16 28 1 31 18 29 1 32 19 30 1 33 21 31 1 @SUBSTRUCTURE 1 noname 1