@MOLECULE FDBD02945 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.4116 1.2167 2.3486 C.3 1 UNK -0.0281 2 C1 -0.2461 -0.1918 1.7745 C.3 1 UNK 0.0946 3 C2 0.6792 -1.0064 2.6807 C.3 1 UNK -0.0281 4 O -1.5229 -0.8293 1.7009 O.3 1 UNK -0.4893 5 C3 -1.6634 -1.8253 0.7871 C.ar 1 UNK 0.1226 6 C4 -0.5637 -2.2622 0.0614 C.ar 1 UNK -0.0198 7 C5 -0.7050 -3.2744 -0.8684 C.ar 1 UNK -0.0566 8 C6 -1.9409 -3.8549 -1.0791 C.ar 1 UNK -0.0402 9 C7 -3.0449 -3.4217 -0.3559 C.ar 1 UNK 0.0371 10 C8 -2.9035 -2.4091 0.5831 C.ar 1 UNK 0.0013 11 N -4.2961 -4.0086 -0.5696 N.am 1 UNK -0.2814 12 C9 -5.4141 -3.2602 -0.4889 C.2 1 UNK 0.2485 13 O1 -5.3309 -2.0600 -0.3146 O.2 1 UNK -0.2698 14 C10 -6.7415 -3.8988 -0.6124 C.ar 1 UNK 0.0399 15 C11 -6.8490 -5.2902 -0.6543 C.ar 1 UNK -0.0494 16 C12 -8.0906 -5.8797 -0.7697 C.ar 1 UNK -0.0610 17 C13 -9.2282 -5.0952 -0.8439 C.ar 1 UNK -0.0615 18 C14 -9.1287 -3.7160 -0.8033 C.ar 1 UNK -0.0581 19 C15 -7.8933 -3.1137 -0.6819 C.ar 1 UNK -0.0383 20 C16 -7.7868 -1.6111 -0.6375 C.3 1 UNK -0.0390 21 H 0.5623 1.7030 2.4048 H 1 UNK 0.0265 22 H1 -1.0708 1.7971 1.7030 H 1 UNK 0.0265 23 H2 -0.8443 1.1536 3.3471 H 1 UNK 0.0265 24 H3 0.1866 -0.1286 0.7761 H 1 UNK 0.0727 25 H4 0.7972 -2.0098 2.2717 H 1 UNK 0.0265 26 H5 1.6531 -0.5201 2.7369 H 1 UNK 0.0265 27 H6 0.2466 -1.0695 3.6792 H 1 UNK 0.0265 28 H7 0.4037 -1.8101 0.2236 H 1 UNK 0.0654 29 H8 0.1522 -3.6122 -1.4319 H 1 UNK 0.0619 30 H9 -2.0488 -4.6457 -1.8067 H 1 UNK 0.0636 31 H10 -3.7602 -2.0704 1.1468 H 1 UNK 0.0673 32 H11 -4.3594 -4.9543 -0.7759 H 1 UNK 0.1551 33 H12 -5.9619 -5.9035 -0.5969 H 1 UNK 0.0625 34 H13 -8.1752 -6.9558 -0.8026 H 1 UNK 0.0618 35 H14 -10.1980 -5.5618 -0.9341 H 1 UNK 0.0618 36 H15 -10.0204 -3.1095 -0.8624 H 1 UNK 0.0620 37 H16 -7.7163 -1.2823 0.3994 H 1 UNK 0.0278 38 H17 -6.8966 -1.2937 -1.1806 H 1 UNK 0.0278 39 H18 -8.6704 -1.1704 -1.0990 H 1 UNK 0.0278 @BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 3 1 6 2 4 1 7 2 24 1 8 3 25 1 9 3 26 1 10 3 27 1 11 4 5 1 12 5 10 ar 13 5 6 ar 14 6 7 ar 15 6 28 1 16 7 8 ar 17 7 29 1 18 8 9 ar 19 8 30 1 20 9 10 ar 21 9 11 1 22 10 31 1 23 11 12 am 24 11 32 1 25 12 13 2 26 12 14 1 27 14 19 ar 28 14 15 ar 29 15 16 ar 30 15 33 1 31 16 17 ar 32 16 34 1 33 17 18 ar 34 17 35 1 35 18 19 ar 36 18 36 1 37 19 20 1 38 20 37 1 39 20 38 1 40 20 39 1