@MOLECULE FDBD01853 44 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5291 0.0104 C.3 1 UNK -0.0431 2 C1 1.4288 2.0195 -0.0007 C.3 1 UNK -0.0334 3 C2 2.1392 1.6137 1.2836 C.3 1 UNK 0.0339 4 C3 3.6539 1.7081 1.0816 C.3 1 UNK 0.0223 5 C4 4.0170 3.1178 0.6333 C.3 1 UNK -0.0386 6 C5 5.5240 3.3189 0.5853 C.3 1 UNK -0.0109 7 C6 6.2315 2.7813 1.8171 C.3 1 UNK 0.0013 8 N 5.3209 2.2784 2.8418 N.4 1 UNK 0.4029 9 O 6.1530 1.6185 3.8724 O.3 1 UNK -0.3396 10 C7 4.6051 3.3685 3.5035 C.3 1 UNK 0.0013 11 C8 3.8346 2.8161 4.7063 C.3 1 UNK -0.0109 12 C9 2.8340 1.7629 4.2275 C.3 1 UNK -0.0388 13 C10 3.5404 0.6895 3.4098 C.3 1 UNK 0.0194 14 C11 2.5336 -0.3152 2.8564 C.3 1 UNK 0.0229 15 N1 1.7912 0.2715 1.7264 N.am 1 UNK -0.2975 16 C12 0.8305 -0.4773 1.1627 C.2 1 UNK 0.2158 17 O1 0.6281 -1.5879 1.6097 O.2 1 UNK -0.2756 18 C13 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0242 19 C14 4.4164 1.2654 2.3090 C.3 1 UNK 0.0208 20 H -0.5149 1.8810 0.8907 H 1 UNK 0.0270 21 H1 -0.5438 1.8991 -0.8454 H 1 UNK 0.0270 22 H2 1.4386 3.0860 -0.0866 H 1 UNK 0.0283 23 H3 1.9375 1.5778 -0.8320 H 1 UNK 0.0283 24 H4 1.8163 2.2898 2.0475 H 1 UNK 0.0505 25 H5 3.9471 1.0289 0.3085 H 1 UNK 0.0374 26 H6 3.5946 3.8205 1.3208 H 1 UNK 0.0272 27 H7 3.6278 3.2665 -0.3522 H 1 UNK 0.0272 28 H8 5.7263 4.3666 0.5054 H 1 UNK 0.0317 29 H9 5.8936 2.7764 -0.2597 H 1 UNK 0.0317 30 H10 6.8167 3.5698 2.2422 H 1 UNK 0.0825 31 H11 6.8320 1.9551 1.4983 H 1 UNK 0.0825 32 H12 6.6456 0.8862 3.4700 H 1 UNK 0.2696 33 H13 3.9188 3.8148 2.8145 H 1 UNK 0.0825 34 H14 5.3058 4.1056 3.8362 H 1 UNK 0.0825 35 H15 3.3100 3.6129 5.1909 H 1 UNK 0.0317 36 H16 4.5203 2.3705 5.3964 H 1 UNK 0.0317 37 H17 2.0893 2.2346 3.6210 H 1 UNK 0.0272 38 H18 2.3787 1.3047 5.0806 H 1 UNK 0.0272 39 H19 4.2022 0.1751 4.0749 H 1 UNK 0.0371 40 H20 1.8443 -0.5856 3.6288 H 1 UNK 0.0469 41 H21 3.0599 -1.1815 2.5138 H 1 UNK 0.0469 42 H22 0.4310 -0.3540 -0.9137 H 1 UNK 0.0358 43 H23 -0.9947 -0.3842 0.0846 H 1 UNK 0.0358 44 H24 5.0236 0.4636 1.9437 H 1 UNK 0.0869 @BOND 1 1 18 1 2 1 2 1 3 2 3 1 4 3 15 1 5 3 4 1 6 4 19 1 7 4 5 1 8 5 6 1 9 6 7 1 10 7 8 1 11 8 19 1 12 8 9 1 13 8 10 1 14 10 11 1 15 11 12 1 16 12 13 1 17 13 14 1 18 13 19 1 19 14 15 1 20 15 16 am 21 16 17 2 22 16 18 1 23 1 20 1 24 1 21 1 25 2 22 1 26 2 23 1 27 3 24 1 28 4 25 1 29 5 26 1 30 5 27 1 31 6 28 1 32 6 29 1 33 7 30 1 34 7 31 1 35 9 32 1 36 10 33 1 37 10 34 1 38 11 35 1 39 11 36 1 40 12 37 1 41 12 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 18 42 1 46 18 43 1 47 19 44 1