@MOLECULE FDBD02024 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2393 1.4310 -0.0189 C.3 1 UNK 0.0515 2 N 0.3422 -0.0303 -0.0026 N.pl3 1 UNK -0.2019 3 C1 0.4618 -0.7658 -1.2641 C.3 1 UNK 0.1653 4 O 1.1659 -1.9894 -1.0287 O.3 1 UNK -0.3177 5 C2 0.5574 -2.8054 -0.0225 C.3 1 UNK 0.1659 6 N1 0.4360 -2.0308 1.2152 N.pl3 1 UNK -0.1946 7 C3 0.4339 -2.7198 2.5081 C.3 1 UNK 0.0957 8 C4 1.8476 -2.8383 3.0164 C.ar 1 UNK 0.0423 9 C5 2.4804 -1.9534 3.7914 C.ar 1 UNK 0.0425 10 N2 3.7179 -2.2855 4.1031 N.ar 1 UNK -0.2357 11 C6 4.1629 -3.4028 3.6326 C.ar 1 UNK 0.1674 12 Cl 5.7547 -4.0359 3.9139 Cl 1 UNK -0.0543 13 S 2.9544 -4.1720 2.6993 S.2 1 UNK -0.0578 14 C7 0.3318 -0.6889 1.1720 C.cat 1 UNK 0.4052 15 N3 0.2055 0.0041 2.3199 N.2 1 UNK 0.0938 16 N4 0.2731 1.2922 2.3065 N.pl3 1 UNK 0.2215 17 O1 -0.7471 1.9550 2.2493 O.2 1 UNK -0.0910 18 O2 1.3572 1.8457 2.3510 O.2 1 UNK -0.0910 19 H 0.1599 1.7942 0.9844 H 1 UNK 0.0598 20 H1 -0.6288 1.7213 -0.5730 H 1 UNK 0.0598 21 H2 1.1116 1.8449 -0.4801 H 1 UNK 0.0598 22 H3 1.0002 -0.1737 -1.9743 H 1 UNK 0.0953 23 H4 -0.5130 -0.9797 -1.6501 H 1 UNK 0.0953 24 H5 1.1641 -3.6690 0.1535 H 1 UNK 0.0954 25 H6 -0.4128 -3.1166 -0.3493 H 1 UNK 0.0954 26 H7 0.0139 -3.6969 2.3909 H 1 UNK 0.0692 27 H8 -0.1514 -2.1618 3.2087 H 1 UNK 0.0692 28 H9 2.0371 -1.0811 4.1194 H 1 UNK 0.0839 @BOND 1 1 2 1 2 2 14 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 6 14 1 9 7 8 1 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 1 15 11 13 ar 16 14 15 2 17 15 16 1 18 16 17 2 19 16 18 2 20 1 19 1 21 1 20 1 22 1 21 1 23 3 22 1 24 3 23 1 25 5 24 1 26 5 25 1 27 7 26 1 28 7 27 1 29 9 28 1