@MOLECULE FDBD02988 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5497 1.3110 -0.0314 C.3 1 UNK -0.0362 2 C1 0.5932 -0.1947 0.0139 C.ar 1 UNK -0.0088 3 C2 0.7286 -0.9179 -1.1555 C.ar 1 UNK -0.0554 4 C3 0.7680 -2.2992 -1.1147 C.ar 1 UNK -0.0613 5 C4 0.6725 -2.9605 0.0960 C.ar 1 UNK -0.0583 6 C5 0.5373 -2.2420 1.2679 C.ar 1 UNK -0.0197 7 C6 0.5028 -0.8554 1.2301 C.ar 1 UNK 0.1239 8 O 0.3704 -0.1463 2.3818 O.3 1 UNK -0.4871 9 C7 0.1616 -0.8922 3.5827 C.3 1 UNK 0.1153 10 C8 0.1527 0.0462 4.7618 C.ar 1 UNK -0.0009 11 C9 0.4206 1.3878 4.5799 C.ar 1 UNK -0.0547 12 C10 0.4128 2.2503 5.6612 C.ar 1 UNK -0.0614 13 C11 0.1367 1.7745 6.9309 C.ar 1 UNK -0.0611 14 C12 -0.1322 0.4354 7.1254 C.ar 1 UNK -0.0519 15 C13 -0.1319 -0.4381 6.0380 C.ar 1 UNK 0.0170 16 C14 -0.4200 -1.8775 6.2401 C.2 1 UNK 0.1936 17 N 0.4048 -2.6165 6.9238 N.2 1 UNK -0.0775 18 O1 1.5227 -2.0258 7.5613 O.2 1 UNK -0.3964 19 C15 2.4029 -2.9662 8.1802 C.3 1 UNK 0.1072 20 C16 -1.6460 -2.4750 5.6644 C.2 1 UNK 0.3613 21 O2 -2.4637 -1.7682 5.1110 O.2 1 UNK -0.2431 22 O3 -1.8545 -3.8027 5.7545 O.3 1 UNK -0.4633 23 C17 -3.0781 -4.3191 5.1677 C.3 1 UNK 0.0820 24 H 0.4420 1.6947 0.9616 H 1 UNK 0.0279 25 H1 -0.2811 1.6260 -0.6275 H 1 UNK 0.0279 26 H2 1.4573 1.6813 -0.4604 H 1 UNK 0.0279 27 H3 0.8004 -0.4266 -2.0602 H 1 UNK 0.0621 28 H4 0.8689 -2.8377 -1.9893 H 1 UNK 0.0618 29 H5 0.7023 -3.9917 0.1240 H 1 UNK 0.0619 30 H6 0.4620 -2.7361 2.1708 H 1 UNK 0.0654 31 H7 0.9500 -1.6059 3.7009 H 1 UNK 0.0748 32 H8 -0.7768 -1.4033 3.5265 H 1 UNK 0.0748 33 H9 0.6272 1.7482 3.6352 H 1 UNK 0.0622 34 H10 0.6137 3.2527 5.5205 H 1 UNK 0.0618 35 H11 0.1319 2.4226 7.7340 H 1 UNK 0.0618 36 H12 -0.3332 0.0807 8.0735 H 1 UNK 0.0624 37 H13 3.2177 -2.4447 8.6373 H 1 UNK 0.0687 38 H14 2.7811 -3.6408 7.4408 H 1 UNK 0.0687 39 H15 1.8689 -3.5172 8.9259 H 1 UNK 0.0687 40 H16 -3.1208 -5.3791 5.3070 H 1 UNK 0.0661 41 H17 -3.0937 -4.0960 4.1213 H 1 UNK 0.0661 42 H18 -3.9215 -3.8628 5.6423 H 1 UNK 0.0661 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 1 9 8 9 1 10 9 10 1 11 10 15 ar 12 10 11 ar 13 11 12 ar 14 12 13 ar 15 13 14 ar 16 14 15 ar 17 15 16 1 18 16 17 2 19 16 20 1 20 17 18 1 21 18 19 1 22 20 21 2 23 20 22 1 24 22 23 1 25 1 24 1 26 1 25 1 27 1 26 1 28 3 27 1 29 4 28 1 30 5 29 1 31 6 30 1 32 9 31 1 33 9 32 1 34 11 33 1 35 12 34 1 36 13 35 1 37 14 36 1 38 19 37 1 39 19 38 1 40 19 39 1 41 23 40 1 42 23 41 1 43 23 42 1