@MOLECULE FDBD02271 43 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C 8.5120 1.9326 -4.8343 C.1 1 UNK -0.1187 2 C1 8.8639 2.7738 -4.0949 C.1 1 UNK -0.0978 3 C2 9.3050 3.8286 -3.1677 C.3 1 UNK 0.0669 4 C3 8.6589 3.6176 -1.8227 C.ar 1 UNK 0.1171 5 C4 9.1663 2.8897 -0.8117 C.ar 1 UNK -0.0194 6 C5 8.2375 2.9624 0.2518 C.ar 1 UNK -0.0170 7 C6 7.2181 3.7304 -0.1729 C.ar 1 UNK 0.1426 8 C7 5.9919 4.0886 0.6266 C.3 1 UNK 0.1498 9 O 6.2360 5.3158 1.3633 O.3 1 UNK -0.4565 10 C8 5.2352 5.7750 2.1310 C.2 1 UNK 0.3117 11 O1 4.1899 5.1715 2.1856 O.2 1 UNK -0.2505 12 C9 5.4154 7.0432 2.9249 C.3 1 UNK 0.0688 13 C10 4.8935 7.0566 4.3630 C.3 1 UNK -0.0033 14 C11 4.2385 5.8005 4.8773 C.2 1 UNK -0.0809 15 C12 2.9643 5.8036 5.1814 C.2 1 UNK -0.0793 16 C13 2.1254 7.0235 4.9001 C.3 1 UNK -0.0440 17 C14 2.3373 4.5872 5.8125 C.3 1 UNK -0.0440 18 C15 6.3993 7.0097 4.0961 C.3 1 UNK -0.0144 19 C16 7.1249 5.6912 4.3717 C.3 1 UNK -0.0585 20 C17 7.2064 8.2787 4.3772 C.3 1 UNK -0.0585 21 O2 7.4815 4.1292 -1.4281 O.2 1 UNK -0.4602 22 H 8.2140 1.2203 -5.4604 H 1 UNK 0.1228 23 H1 9.0203 4.7850 -3.5540 H 1 UNK 0.0477 24 H2 10.3691 3.7888 -3.0624 H 1 UNK 0.0477 25 H3 10.0617 2.3766 -0.8122 H 1 UNK 0.0652 26 H4 8.3249 2.5126 1.1765 H 1 UNK 0.0653 27 H5 5.7704 3.2984 1.3132 H 1 UNK 0.0780 28 H6 5.1629 4.2288 -0.0352 H 1 UNK 0.0780 29 H7 5.2824 7.6665 2.0654 H 1 UNK 0.0425 30 H8 4.2440 7.6931 4.9268 H 1 UNK 0.0356 31 H9 4.7938 4.9379 4.9899 H 1 UNK 0.0575 32 H10 2.7357 7.7810 4.4544 H 1 UNK 0.0274 33 H11 1.7124 7.3913 5.8161 H 1 UNK 0.0274 34 H12 1.3325 6.7643 4.2301 H 1 UNK 0.0274 35 H13 3.0796 3.8265 5.9354 H 1 UNK 0.0274 36 H14 1.5536 4.2222 5.1821 H 1 UNK 0.0274 37 H15 1.9335 4.8492 6.7681 H 1 UNK 0.0274 38 H16 6.4753 4.8721 4.1436 H 1 UNK 0.0235 39 H17 7.4054 5.6473 5.4033 H 1 UNK 0.0235 40 H18 8.0015 5.6320 3.7609 H 1 UNK 0.0235 41 H19 6.6097 9.1380 4.1526 H 1 UNK 0.0235 42 H20 8.0850 8.2852 3.7666 H 1 UNK 0.0235 43 H21 7.4890 8.3004 5.4090 H 1 UNK 0.0235 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 4 21 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 1 9 7 21 ar 10 8 9 1 11 9 10 1 12 10 11 2 13 10 12 1 14 12 18 1 15 12 13 1 16 13 14 1 17 13 18 1 18 14 15 2 19 15 16 1 20 15 17 1 21 18 19 1 22 18 20 1 23 1 22 1 24 3 23 1 25 3 24 1 26 5 25 1 27 6 26 1 28 8 27 1 29 8 28 1 30 12 29 1 31 13 30 1 32 14 31 1 33 16 32 1 34 16 33 1 35 16 34 1 36 17 35 1 37 17 36 1 38 17 37 1 39 19 38 1 40 19 39 1 41 19 40 1 42 20 41 1 43 20 42 1 44 20 43 1