@MOLECULE FDBD03101 44 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0554 3 C2 -1.4333 -0.5336 0.0129 C.3 1 UNK -0.0466 4 C3 -1.4126 -2.0635 0.0045 C.3 1 UNK -0.0151 5 C4 -0.7836 -2.5722 1.3032 C.3 1 UNK -0.0583 6 C5 -2.8221 -2.5844 -0.1087 C.ar 1 UNK 0.0024 7 C6 -3.7572 -2.2642 0.8568 C.ar 1 UNK -0.0244 8 C7 -5.0503 -2.7422 0.7538 C.ar 1 UNK 0.1289 9 C8 -5.4113 -3.5415 -0.3153 C.ar 1 UNK 0.0024 10 C9 -4.4802 -3.8644 -1.2831 C.ar 1 UNK 0.1708 11 C10 -3.1834 -3.3809 -1.1852 C.ar 1 UNK 0.1687 12 O -2.2653 -3.6972 -2.1364 O.3 1 UNK -0.3923 13 C11 -2.1677 -2.8673 -3.1913 C.2 1 UNK 0.5159 14 O1 -2.8820 -1.8878 -3.2614 O.2 1 UNK -0.2024 15 O2 -1.2787 -3.1229 -4.1684 O.3 1 UNK -0.4308 16 C12 -1.2284 -2.1850 -5.2757 C.3 1 UNK 0.1009 17 C13 0.1906 -2.1456 -5.8465 C.3 1 UNK -0.0279 18 C14 -2.2046 -2.6306 -6.3662 C.3 1 UNK -0.0279 19 N -4.8671 -4.7209 -2.4267 N.pl3 1 UNK 0.0601 20 O3 -6.0069 -5.1413 -2.5145 O.2 1 UNK -0.1260 21 O4 -4.0456 -5.0053 -3.2798 O.2 1 UNK -0.1260 22 N1 -6.0499 -2.3981 1.7899 N.pl3 1 UNK 0.0565 23 O5 -5.7329 -1.6944 2.7322 O.2 1 UNK -0.1261 24 O6 -7.1894 -2.8186 1.7001 O.2 1 UNK -0.1261 25 H 0.9851 1.8962 0.0028 H 1 UNK 0.0230 26 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 27 H2 -0.5362 1.8802 -0.8564 H 1 UNK 0.0230 28 H3 0.5196 -0.3586 0.8689 H 1 UNK 0.0263 29 H4 0.5029 -0.3492 -0.8783 H 1 UNK 0.0263 30 H5 -1.9508 -0.1791 -0.8540 H 1 UNK 0.0271 31 H6 -1.9341 -0.1885 0.8932 H 1 UNK 0.0271 32 H7 -0.8371 -2.4078 -0.8293 H 1 UNK 0.0347 33 H8 -1.3591 -2.2279 2.1370 H 1 UNK 0.0236 34 H9 0.2172 -2.2024 1.3835 H 1 UNK 0.0236 35 H10 -0.7691 -3.6421 1.2973 H 1 UNK 0.0236 36 H11 -3.4901 -1.6677 1.6555 H 1 UNK 0.0644 37 H12 -6.3772 -3.8971 -0.3901 H 1 UNK 0.0664 38 H13 -1.5010 -1.2098 -4.9299 H 1 UNK 0.0729 39 H14 0.4631 -3.1208 -6.1923 H 1 UNK 0.0265 40 H15 0.8733 -1.8339 -5.0838 H 1 UNK 0.0265 41 H16 0.2277 -1.4545 -6.6625 H 1 UNK 0.0265 42 H17 -1.9321 -3.6058 -6.7121 H 1 UNK 0.0265 43 H18 -2.1675 -1.9395 -7.1822 H 1 UNK 0.0265 44 H19 -3.1970 -2.6582 -5.9670 H 1 UNK 0.0265 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 6 11 ar 7 6 7 ar 8 7 8 ar 9 8 9 ar 10 8 22 1 11 9 10 ar 12 10 11 ar 13 10 19 1 14 11 12 1 15 12 13 1 16 13 14 2 17 13 15 1 18 15 16 1 19 16 17 1 20 16 18 1 21 19 20 2 22 19 21 2 23 22 23 2 24 22 24 2 25 1 25 1 26 1 26 1 27 1 27 1 28 2 28 1 29 2 29 1 30 3 30 1 31 3 31 1 32 4 32 1 33 5 33 1 34 5 34 1 35 5 35 1 36 7 36 1 37 9 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1 42 18 42 1 43 18 43 1 44 18 44 1