@MOLECULE FDBD02969 43 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2173 1.8422 0.0210 C.3 1 UNK -0.0624 2 C1 0.1209 0.3168 -0.0494 C.3 1 UNK -0.0425 3 H -0.9277 0.0212 -0.0832 H 1 UNK 0.0299 4 C2 0.8300 -0.1797 -1.3105 C.3 1 UNK -0.0411 5 C3 2.2808 0.3132 -1.3062 C.3 1 UNK 0.0153 6 H1 2.2982 1.4007 -1.3774 H 1 UNK 0.0375 7 C4 3.0325 -0.2917 -2.4937 C.3 1 UNK -0.0557 8 C5 2.9327 -0.1218 -0.0123 C.2 1 UNK 0.1417 9 O 3.9885 -0.7079 -0.0173 O.2 1 UNK -0.2967 10 C6 2.2285 0.1968 1.2880 C.3 1 UNK 0.0439 11 H2 2.2410 1.2735 1.4569 H 1 UNK 0.0403 12 C7 0.7811 -0.2920 1.1888 C.3 1 UNK -0.0385 13 C8 2.9371 -0.5129 2.4434 C.3 1 UNK 0.0650 14 H3 3.9932 -0.2434 2.4424 H 1 UNK 0.0600 15 C9 2.3033 -0.0868 3.7692 C.3 1 UNK -0.0225 16 C10 3.0943 -0.6922 4.9305 C.3 1 UNK -0.0222 17 C11 4.5015 -0.0866 4.9658 C.3 1 UNK 0.0277 18 C12 5.2315 -0.6026 6.1776 C.2 1 UNK 0.2195 19 O1 6.4389 -0.7056 6.1451 O.2 1 UNK -0.2754 20 N 4.5716 -0.9501 7.2926 N.am 1 UNK -0.2564 21 C13 3.2364 -0.8721 7.3959 C.2 1 UNK 0.2195 22 O2 2.6994 -1.2106 8.4287 O.2 1 UNK -0.2754 23 C14 2.3918 -0.3716 6.2541 C.3 1 UNK 0.0277 24 O3 2.8062 -1.9272 2.2858 O.3 1 UNK -0.3911 25 H4 1.2656 2.1388 0.0548 H 1 UNK 0.0232 26 H5 -0.2552 2.2771 -0.8598 H 1 UNK 0.0232 27 H6 -0.2900 2.1973 0.9180 H 1 UNK 0.0232 28 H7 0.8163 -1.2695 -1.3300 H 1 UNK 0.0274 29 H8 0.3175 0.2063 -2.1916 H 1 UNK 0.0274 30 H9 2.5497 0.0124 -3.4224 H 1 UNK 0.0236 31 H10 4.0640 0.0605 -2.4882 H 1 UNK 0.0236 32 H11 3.0194 -1.3788 -2.4164 H 1 UNK 0.0236 33 H12 0.2322 0.0142 2.0793 H 1 UNK 0.0275 34 H13 0.7690 -1.3790 1.1100 H 1 UNK 0.0275 35 H14 2.3191 1.0004 3.8466 H 1 UNK 0.0293 36 H15 1.2725 -0.4389 3.8089 H 1 UNK 0.0293 37 H16 3.1609 -1.7728 4.8039 H 1 UNK 0.0311 38 H17 5.0439 -0.3728 4.0646 H 1 UNK 0.0361 39 H18 4.4293 0.9997 5.0191 H 1 UNK 0.0361 40 H19 5.0798 -1.2707 8.0540 H 1 UNK 0.1575 41 H20 2.2592 0.7066 6.3443 H 1 UNK 0.0361 42 H21 1.4188 -0.8624 6.2783 H 1 UNK 0.0361 43 H22 1.8909 -2.2390 2.2778 H 1 UNK 0.2098 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 12 1 7 2 4 1 8 4 5 1 9 4 28 1 10 4 29 1 11 5 6 1 12 5 7 1 13 5 8 1 14 7 30 1 15 7 31 1 16 7 32 1 17 8 9 2 18 8 10 1 19 10 11 1 20 10 12 1 21 10 13 1 22 12 33 1 23 12 34 1 24 13 14 1 25 13 15 1 26 13 24 1 27 15 16 1 28 15 35 1 29 15 36 1 30 16 23 1 31 16 17 1 32 16 37 1 33 17 18 1 34 17 38 1 35 17 39 1 36 18 19 2 37 18 20 am 38 20 21 am 39 20 40 1 40 21 22 2 41 21 23 1 42 23 41 1 43 23 42 1 44 24 43 1