@MOLECULE FDBD03057 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0167 1.3781 0.0096 C.ar 1 UNK -0.0617 2 C1 1.1709 2.0855 0.0021 C.ar 1 UNK -0.0615 3 C2 2.3773 1.4107 -0.0130 C.ar 1 UNK -0.0569 4 C3 2.3960 0.0285 -0.0201 C.ar 1 UNK -0.0214 5 C4 1.2084 -0.6789 -0.0117 C.ar 1 UNK -0.0569 6 C5 0.0021 -0.0041 0.0020 C.ar 1 UNK -0.0615 7 C6 3.7112 -0.7071 -0.0376 C.3 1 UNK 0.1435 8 C7 3.4520 -2.2150 -0.0424 C.3 1 UNK -0.0203 9 C8 4.7872 -2.9619 -0.0601 C.3 1 UNK -0.0257 10 C9 4.5320 -4.4471 -0.0648 C.ar 1 UNK -0.0472 11 C10 4.4219 -5.1331 1.1303 C.ar 1 UNK -0.0572 12 C11 4.1878 -6.4952 1.1266 C.ar 1 UNK -0.0431 13 C12 4.0637 -7.1723 -0.0735 C.ar 1 UNK 0.0410 14 C13 4.1740 -6.4852 -1.2693 C.ar 1 UNK -0.0431 15 C14 4.4024 -5.1221 -1.2643 C.ar 1 UNK -0.0572 16 Cl 3.7702 -8.8833 -0.0790 Cl 1 UNK -0.0835 17 C15 4.4655 -0.3350 -1.2456 C.1 1 UNK 0.0804 18 N 5.0477 -0.0479 -2.1779 N.1 1 UNK -0.1954 19 C16 4.5214 -0.3329 1.2051 C.3 1 UNK 0.1999 20 N1 3.7707 -0.7032 2.4074 N.ar 1 UNK -0.0696 21 C17 4.1979 -1.4826 3.4159 C.ar 1 UNK 0.2726 22 N2 3.2351 -1.5702 4.2973 N.ar 1 UNK -0.2928 23 C18 2.1823 -0.8633 3.8883 C.ar 1 UNK 0.1651 24 N3 2.4638 -0.3094 2.7383 N.ar 1 UNK 0.0138 25 H -0.9173 1.8819 0.0209 H 1 UNK 0.0618 26 H1 1.1569 3.1174 0.0078 H 1 UNK 0.0618 27 H2 3.2639 1.9388 -0.0190 H 1 UNK 0.0621 28 H3 1.2224 -1.7108 -0.0157 H 1 UNK 0.0621 29 H4 -0.8845 -0.5322 0.0066 H 1 UNK 0.0618 30 H5 2.8854 -2.4767 -0.9115 H 1 UNK 0.0289 31 H6 2.9036 -2.4854 0.8357 H 1 UNK 0.0289 32 H7 5.3538 -2.7001 0.8090 H 1 UNK 0.0314 33 H8 5.3355 -2.6915 -0.9382 H 1 UNK 0.0314 34 H9 4.5145 -4.6280 2.0255 H 1 UNK 0.0621 35 H10 4.1056 -7.0071 2.0189 H 1 UNK 0.0632 36 H11 4.0857 -6.9904 -2.1648 H 1 UNK 0.0632 37 H12 4.4762 -4.6081 -2.1561 H 1 UNK 0.0621 38 H13 4.7026 0.7216 1.2085 H 1 UNK 0.1075 39 H14 5.4551 -0.8553 1.1927 H 1 UNK 0.1075 40 H15 5.1239 -1.9333 3.4831 H 1 UNK 0.1623 41 H16 3.2815 -2.0819 5.1371 H 1 UNK 0.1720 42 H17 1.2894 -0.7685 4.3970 H 1 UNK 0.1090 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 7 1 7 5 6 ar 8 7 8 1 9 7 17 1 10 7 19 1 11 8 9 1 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 ar 18 13 16 1 19 14 15 ar 20 17 18 3 21 19 20 1 22 20 24 ar 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 1 25 1 28 2 26 1 29 3 27 1 30 5 28 1 31 6 29 1 32 8 30 1 33 8 31 1 34 9 32 1 35 9 33 1 36 11 34 1 37 12 35 1 38 14 36 1 39 15 37 1 40 19 38 1 41 19 39 1 42 21 40 1 43 22 41 1 44 23 42 1