@MOLECULE FDBD02935 47 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0122 1.5192 0.0036 C.3 1 UNK -0.0626 2 C1 0.0479 -0.0103 -0.0056 C.3 1 UNK -0.0462 3 C2 0.7768 -0.4958 -1.2602 C.3 1 UNK -0.0626 4 C3 0.7849 -0.5108 1.2383 C.3 1 UNK -0.0441 5 C4 -0.0104 -0.1320 2.4892 C.3 1 UNK -0.0167 6 C5 -1.3490 -0.8731 2.4863 C.3 1 UNK -0.0583 7 C6 0.7734 -0.5154 3.7180 C.ar 1 UNK -0.0233 8 C7 1.0387 -1.8451 3.9819 C.ar 1 UNK -0.0566 9 C8 1.7577 -2.1976 5.1090 C.ar 1 UNK -0.0614 10 C9 2.2139 -1.2209 5.9754 C.ar 1 UNK -0.0600 11 C10 1.9521 0.1101 5.7173 C.ar 1 UNK -0.0402 12 C11 1.2346 0.4680 4.5831 C.ar 1 UNK 0.0371 13 N 0.9677 1.8154 4.3187 N.am 1 UNK -0.2811 14 C12 0.7484 2.6712 5.3366 C.2 1 UNK 0.2544 15 O 0.6820 2.2550 6.4776 O.2 1 UNK -0.2696 16 C13 0.5895 4.1091 5.0675 C.ar 1 UNK 0.1134 17 C14 -0.6236 4.7850 4.8007 C.ar 1 UNK 0.0750 18 C15 -1.9922 4.1568 4.7411 C.3 1 UNK -0.0198 19 N1 -0.3514 6.0464 4.6154 N.ar 1 UNK -0.1735 20 N2 1.0276 6.2402 4.7517 N.ar 1 UNK -0.2411 21 C16 1.7295 7.5190 4.6162 C.3 1 UNK 0.0331 22 C17 1.5992 5.0568 5.0336 C.ar 1 UNK 0.2240 23 F 2.9157 4.8316 5.2369 F 1 UNK -0.1834 24 H 1.0311 1.9065 0.0026 H 1 UNK 0.0232 25 H1 -0.5129 1.8758 -0.8825 H 1 UNK 0.0232 26 H2 -0.5071 1.8652 0.8974 H 1 UNK 0.0232 27 H3 -0.9710 -0.3975 -0.0046 H 1 UNK 0.0296 28 H4 1.7957 -0.1086 -1.2612 H 1 UNK 0.0232 29 H5 0.8022 -1.5855 -1.2668 H 1 UNK 0.0232 30 H6 0.2517 -0.1393 -2.1463 H 1 UNK 0.0232 31 H7 0.8883 -1.5947 1.1878 H 1 UNK 0.0273 32 H8 1.7732 -0.0532 1.2837 H 1 UNK 0.0273 33 H9 -0.1903 0.9430 2.4938 H 1 UNK 0.0347 34 H10 -1.9156 -0.6033 3.3775 H 1 UNK 0.0236 35 H11 -1.9158 -0.5958 1.5976 H 1 UNK 0.0236 36 H12 -1.1691 -1.9481 2.4818 H 1 UNK 0.0236 37 H13 0.6838 -2.6101 3.3073 H 1 UNK 0.0621 38 H14 1.9632 -3.2380 5.3134 H 1 UNK 0.0618 39 H15 2.7753 -1.4996 6.8550 H 1 UNK 0.0618 40 H16 2.3084 0.8723 6.3945 H 1 UNK 0.0636 41 H17 0.9403 2.1338 3.4029 H 1 UNK 0.1551 42 H18 -2.4460 4.1798 5.7319 H 1 UNK 0.0293 43 H19 -2.6171 4.7129 4.0423 H 1 UNK 0.0293 44 H20 -1.9034 3.1234 4.4060 H 1 UNK 0.0293 45 H21 1.7794 8.0107 5.5877 H 1 UNK 0.0473 46 H22 2.7394 7.3417 4.2465 H 1 UNK 0.0473 47 H23 1.1920 8.1559 3.9138 H 1 UNK 0.0473 @BOND 1 1 2 1 2 1 24 1 3 1 25 1 4 1 26 1 5 2 3 1 6 2 4 1 7 2 27 1 8 3 28 1 9 3 29 1 10 3 30 1 11 4 5 1 12 4 31 1 13 4 32 1 14 5 6 1 15 5 7 1 16 5 33 1 17 6 34 1 18 6 35 1 19 6 36 1 20 7 12 ar 21 7 8 ar 22 8 9 ar 23 8 37 1 24 9 10 ar 25 9 38 1 26 10 11 ar 27 10 39 1 28 11 12 ar 29 11 40 1 30 12 13 1 31 13 14 am 32 13 41 1 33 14 15 2 34 14 16 1 35 16 22 ar 36 16 17 ar 37 17 18 1 38 17 19 ar 39 18 42 1 40 18 43 1 41 18 44 1 42 19 20 ar 43 20 21 1 44 20 22 ar 45 21 45 1 46 21 46 1 47 21 47 1 48 22 23 1