@MOLECULE FDBD03077 37 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5081 0.9891 -2.9226 C.3 1 UNK -0.0530 2 C1 1.0640 -0.4400 -2.6042 C.3 1 UNK 0.0313 3 C2 -0.2897 -0.7122 -3.2632 C.3 1 UNK -0.0530 4 C3 2.1010 -1.4281 -3.1422 C.3 1 UNK -0.0530 5 C4 0.9387 -0.6064 -1.1117 C.2 1 UNK 0.2504 6 O 1.2925 0.2814 -0.3734 O.2 1 UNK -0.2855 7 C5 0.3718 -1.8805 -0.5405 C.3 1 UNK 0.3912 8 N -1.0899 -1.7898 -0.5005 N.ar 1 UNK -0.0245 9 C6 -1.9650 -2.6177 -1.0969 C.ar 1 UNK 0.2769 10 N1 -3.1733 -2.1986 -0.8209 N.ar 1 UNK -0.2927 11 C7 -3.1101 -1.1106 -0.0543 C.ar 1 UNK 0.1652 12 N2 -1.8552 -0.8242 0.1735 N.ar 1 UNK 0.0174 13 O1 0.7583 -2.9841 -1.3619 O.3 1 UNK -0.4253 14 C8 0.7954 -4.2085 -0.7729 C.ar 1 UNK 0.1284 15 C9 1.2739 -5.3037 -1.4771 C.ar 1 UNK -0.0183 16 C10 1.3107 -6.5474 -0.8767 C.ar 1 UNK -0.0399 17 C11 0.8703 -6.7011 0.4259 C.ar 1 UNK 0.0412 18 C12 0.3923 -5.6099 1.1298 C.ar 1 UNK -0.0399 19 C13 0.3601 -4.3634 0.5351 C.ar 1 UNK -0.0183 20 Cl 0.9171 -8.2650 1.1780 Cl 1 UNK -0.0835 21 H 1.5971 1.1072 -3.9823 H 1 UNK 0.0239 22 H1 2.4549 1.1794 -2.4618 H 1 UNK 0.0239 23 H2 0.7830 1.6801 -2.5463 H 1 UNK 0.0239 24 H3 -0.2007 -0.5940 -4.3229 H 1 UNK 0.0239 25 H4 -1.0149 -0.0213 -2.8870 H 1 UNK 0.0239 26 H5 -0.6002 -1.7117 -3.0406 H 1 UNK 0.0239 27 H6 2.1900 -1.3100 -4.2019 H 1 UNK 0.0239 28 H7 1.7905 -2.4275 -2.9196 H 1 UNK 0.0239 29 H8 3.0477 -1.2378 -2.6813 H 1 UNK 0.0239 30 H9 0.7474 -2.0250 0.4509 H 1 UNK 0.1688 31 H10 -1.7255 -3.4404 -1.6721 H 1 UNK 0.1625 32 H11 -4.0048 -2.6235 -1.1329 H 1 UNK 0.1720 33 H12 -3.9205 -0.5801 0.3018 H 1 UNK 0.1090 34 H13 1.6022 -5.1895 -2.4488 H 1 UNK 0.0654 35 H14 1.6669 -7.3623 -1.4001 H 1 UNK 0.0633 36 H15 0.0596 -5.7273 2.0996 H 1 UNK 0.0633 37 H16 0.0124 -3.5480 1.0636 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 13 1 9 8 12 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 ar 14 13 14 1 15 14 19 ar 16 14 15 ar 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 17 20 1 21 18 19 ar 22 1 21 1 23 1 22 1 24 1 23 1 25 3 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 4 28 1 30 4 29 1 31 7 30 1 32 9 31 1 33 10 32 1 34 11 33 1 35 15 34 1 36 16 35 1 37 18 36 1 38 19 37 1