@MOLECULE FDBD03043 43 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.4178 -0.0519 0.8396 C.ar 1 UNK -0.0617 2 C1 0.3835 1.0068 0.4550 C.ar 1 UNK -0.0613 3 C2 1.7197 0.7948 0.1713 C.ar 1 UNK -0.0513 4 C3 2.2547 -0.4758 0.2726 C.ar 1 UNK 0.0330 5 C4 1.4536 -1.5344 0.6581 C.ar 1 UNK -0.0513 6 C5 0.1170 -1.3226 0.9404 C.ar 1 UNK -0.0613 7 C6 3.7112 -0.7071 -0.0376 C.3 1 UNK 0.2487 8 C7 4.0496 -2.1575 0.1923 C.ar 1 UNK 0.0330 9 C8 4.5413 -2.9256 -0.8465 C.ar 1 UNK -0.0513 10 C9 4.8517 -4.2560 -0.6357 C.ar 1 UNK -0.0613 11 C10 4.6708 -4.8183 0.6141 C.ar 1 UNK -0.0617 12 C11 4.1799 -4.0500 1.6532 C.ar 1 UNK -0.0613 13 C12 3.8736 -2.7184 1.4434 C.ar 1 UNK -0.0513 14 C13 3.9811 -0.3503 -1.4766 C.ar 1 UNK 0.0512 15 C14 4.9580 0.5771 -1.7874 C.ar 1 UNK -0.0499 16 C15 5.2057 0.9044 -3.1072 C.ar 1 UNK -0.0612 17 C16 4.4767 0.3047 -4.1174 C.ar 1 UNK -0.0604 18 C17 3.4998 -0.6226 -3.8079 C.ar 1 UNK -0.0429 19 C18 3.2553 -0.9549 -2.4872 C.ar 1 UNK 0.0514 20 Cl 2.0283 -2.1196 -2.0976 Cl 1 UNK -0.0830 21 N 4.5357 0.1311 0.8363 N.ar 1 UNK -0.1693 22 C19 5.8995 0.0932 0.9476 C.ar 1 UNK 0.1901 23 C20 6.2423 1.0257 1.8568 C.ar 1 UNK 0.0704 24 N1 5.1185 1.6168 2.2888 N.ar 1 UNK -0.3096 25 C21 4.0927 1.0896 1.6782 C.ar 1 UNK 0.2466 26 H -1.4153 0.1064 1.0515 H 1 UNK 0.0618 27 H1 -0.0158 1.9554 0.3797 H 1 UNK 0.0618 28 H2 2.3179 1.5851 -0.1161 H 1 UNK 0.0623 29 H3 1.8533 -2.4827 0.7351 H 1 UNK 0.0623 30 H4 -0.4815 -2.1132 1.2264 H 1 UNK 0.0618 31 H5 4.6767 -2.5058 -1.7795 H 1 UNK 0.0623 32 H6 5.2185 -4.8295 -1.4114 H 1 UNK 0.0618 33 H7 4.9022 -5.8116 0.7714 H 1 UNK 0.0618 34 H8 4.0421 -4.4705 2.5855 H 1 UNK 0.0618 35 H9 3.5135 -2.1431 2.2208 H 1 UNK 0.0623 36 H10 5.5024 1.0251 -1.0338 H 1 UNK 0.0623 37 H11 5.9351 1.5967 -3.3387 H 1 UNK 0.0618 38 H12 4.6621 0.5495 -5.1027 H 1 UNK 0.0618 39 H13 2.9528 -1.0671 -4.5617 H 1 UNK 0.0632 40 H14 6.5416 -0.5301 0.4336 H 1 UNK 0.1393 41 H15 7.2015 1.2467 2.1668 H 1 UNK 0.0869 42 H16 5.0744 2.3351 2.9606 H 1 UNK 0.1705 43 H17 3.1064 1.3603 1.8159 H 1 UNK 0.1599 @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 14 1 10 7 21 1 11 8 13 ar 12 8 9 ar 13 9 10 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 14 19 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 19 20 1 24 21 25 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 24 25 ar 29 1 26 1 30 2 27 1 31 3 28 1 32 5 29 1 33 6 30 1 34 9 31 1 35 10 32 1 36 11 33 1 37 12 34 1 38 13 35 1 39 15 36 1 40 16 37 1 41 17 38 1 42 18 39 1 43 22 40 1 44 23 41 1 45 24 42 1 46 25 43 1