@MOLECULE FDBD02910 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8543 2.0528 0.6306 C.3 1 UNK -0.0396 2 C1 -1.8174 0.5552 0.4665 C.ar 1 UNK -0.0470 3 C2 -2.1490 -0.0149 -0.7489 C.ar 1 UNK -0.0584 4 C3 -2.1162 -1.3884 -0.9026 C.ar 1 UNK -0.0551 5 C4 -1.7523 -2.1950 0.1585 C.ar 1 UNK -0.0088 6 C5 -1.7167 -3.6921 -0.0098 C.3 1 UNK -0.0362 7 C6 -1.4192 -1.6255 1.3786 C.ar 1 UNK 0.1241 8 C7 -1.4470 -0.2464 1.5286 C.ar 1 UNK -0.0167 9 O -1.0608 -2.4167 2.4238 O.3 1 UNK -0.4871 10 C8 -0.7308 -1.7616 3.6502 C.3 1 UNK 0.1150 11 C9 -0.3614 -2.7916 4.6864 C.ar 1 UNK -0.0043 12 C10 -0.4918 -4.1378 4.4000 C.ar 1 UNK -0.0550 13 C11 -0.1531 -5.0825 5.3504 C.ar 1 UNK -0.0614 14 C12 0.3166 -4.6811 6.5873 C.ar 1 UNK -0.0614 15 C13 0.4478 -3.3353 6.8732 C.ar 1 UNK -0.0553 16 C14 0.1130 -2.3904 5.9210 C.ar 1 UNK -0.0037 17 C15 0.2561 -0.9230 6.2328 C.3 1 UNK 0.1592 18 C16 -0.9718 -0.4424 6.9625 C.2 1 UNK 0.2462 19 O1 -0.8842 -0.0592 8.1099 O.2 1 UNK -0.2726 20 N -2.1672 -0.4385 6.3402 N.am 1 UNK -0.3160 21 C17 -3.3395 0.1308 7.0093 C.3 1 UNK 0.0001 22 O2 1.4080 -0.7206 7.0539 O.3 1 UNK -0.3659 23 C18 2.0352 0.5505 6.8722 C.3 1 UNK 0.0379 24 H -0.8817 2.4708 0.3709 H 1 UNK 0.0278 25 H1 -2.6169 2.4716 -0.0260 H 1 UNK 0.0278 26 H2 -2.0909 2.2992 1.6657 H 1 UNK 0.0278 27 H3 -2.4345 0.6138 -1.5793 H 1 UNK 0.0620 28 H4 -2.3756 -1.8313 -1.8529 H 1 UNK 0.0621 29 H5 -0.7251 -3.9967 -0.3447 H 1 UNK 0.0279 30 H6 -1.9410 -4.1704 0.9436 H 1 UNK 0.0279 31 H7 -2.4583 -3.9923 -0.7502 H 1 UNK 0.0279 32 H8 -1.1878 0.1994 2.4775 H 1 UNK 0.0657 33 H9 0.1128 -1.0906 3.4880 H 1 UNK 0.0748 34 H10 -1.5897 -1.1878 3.9982 H 1 UNK 0.0748 35 H11 -0.8587 -4.4513 3.4338 H 1 UNK 0.0621 36 H12 -0.2556 -6.1341 5.1269 H 1 UNK 0.0618 37 H13 0.5806 -5.4193 7.3301 H 1 UNK 0.0618 38 H14 0.8144 -3.0218 7.8395 H 1 UNK 0.0621 39 H15 0.3691 -0.3636 5.3041 H 1 UNK 0.0744 40 H16 -2.2514 -0.8127 5.4492 H 1 UNK 0.1484 41 H17 -3.5272 -0.4105 7.9366 H 1 UNK 0.0426 42 H18 -3.1556 1.1817 7.2329 H 1 UNK 0.0426 43 H19 -4.2080 0.0449 6.3563 H 1 UNK 0.0426 44 H20 1.3263 1.3430 7.1116 H 1 UNK 0.0524 45 H21 2.9006 0.6260 7.5306 H 1 UNK 0.0524 46 H22 2.3572 0.6519 5.8358 H 1 UNK 0.0524 @BOND 1 1 2 1 2 1 24 1 3 1 25 1 4 1 26 1 5 2 8 ar 6 2 3 ar 7 3 4 ar 8 3 27 1 9 4 5 ar 10 4 28 1 11 5 6 1 12 5 7 ar 13 6 29 1 14 6 30 1 15 6 31 1 16 7 8 ar 17 7 9 1 18 8 32 1 19 9 10 1 20 10 11 1 21 10 33 1 22 10 34 1 23 11 16 ar 24 11 12 ar 25 12 13 ar 26 12 35 1 27 13 14 ar 28 13 36 1 29 14 15 ar 30 14 37 1 31 15 16 ar 32 15 38 1 33 16 17 1 34 17 18 1 35 17 22 1 36 17 39 1 37 18 19 2 38 18 20 am 39 20 21 1 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1 44 22 23 1 45 23 44 1 46 23 45 1 47 23 46 1