@MOLECULE FDBD01878 51 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6513 0.6844 2.1766 C.3 1 UNK -0.0306 2 C1 0.5130 -0.7659 1.7093 C.3 1 UNK 0.0896 3 O -0.8941 -1.1027 1.5867 O.3 1 UNK -0.4649 4 C2 -1.1896 -2.3484 1.1835 C.2 1 UNK 0.3083 5 O1 -0.3019 -3.1315 0.9411 O.2 1 UNK -0.2508 6 C3 -2.6285 -2.7704 1.0332 C.3 1 UNK 0.0586 7 C4 -2.6869 -4.2258 0.5651 C.3 1 UNK 0.0213 8 N -4.0858 -4.6729 0.5294 N.3 1 UNK -0.2285 9 C5 -4.8474 -3.9385 -0.4896 C.3 1 UNK 0.0360 10 C6 -5.8250 -3.0112 0.1852 C.ar 1 UNK -0.0324 11 C7 -7.0524 -3.4880 0.6059 C.ar 1 UNK -0.0573 12 C8 -7.9491 -2.6374 1.2250 C.ar 1 UNK -0.0615 13 C9 -7.6183 -1.3101 1.4237 C.ar 1 UNK -0.0617 14 C10 -6.3905 -0.8334 1.0038 C.ar 1 UNK -0.0615 15 C11 -5.4921 -1.6850 0.3886 C.ar 1 UNK -0.0573 16 S -4.1865 -6.4145 0.2612 S.3 1 UNK 0.0357 17 N1 -5.8186 -6.6879 0.1978 N.am 1 UNK -0.1991 18 C12 -6.5015 -6.7476 -1.0968 C.3 1 UNK 0.0190 19 C13 -6.5185 -6.8555 1.3373 C.2 1 UNK 0.4390 20 O2 -7.7163 -7.0561 1.2908 O.2 1 UNK -0.2230 21 O3 -5.8912 -6.8007 2.5265 O.3 1 UNK -0.2977 22 N2 -6.5764 -6.9595 3.5209 N.2 1 UNK -0.0712 23 C14 -6.0329 -6.9182 4.6942 C.2 1 UNK 0.1104 24 C15 -6.8567 -7.2278 5.9175 C.3 1 UNK -0.0130 25 S1 -4.3295 -6.4999 4.8619 S.3 1 UNK -0.1107 26 C16 -4.1934 -6.4535 6.6662 C.3 1 UNK -0.0123 27 H 1.6882 0.9327 2.2670 H 1 UNK 0.0262 28 H1 0.1727 0.8002 3.1266 H 1 UNK 0.0262 29 H2 0.1897 1.3346 1.4631 H 1 UNK 0.0262 30 H3 0.9745 -1.4161 2.4228 H 1 UNK 0.0694 31 H4 0.9916 -0.8818 0.7594 H 1 UNK 0.0694 32 H5 -3.1104 -2.1441 0.3118 H 1 UNK 0.0390 33 H6 -3.1274 -2.6785 1.9753 H 1 UNK 0.0390 34 H7 -2.1330 -4.8410 1.2431 H 1 UNK 0.0442 35 H8 -2.2627 -4.3028 -0.4142 H 1 UNK 0.0442 36 H9 -5.3807 -4.6324 -1.1052 H 1 UNK 0.0485 37 H10 -4.1747 -3.3681 -1.0954 H 1 UNK 0.0485 38 H11 -7.2993 -4.4790 0.4578 H 1 UNK 0.0621 39 H12 -8.8655 -2.9933 1.5388 H 1 UNK 0.0618 40 H13 -8.2879 -0.6750 1.8855 H 1 UNK 0.0618 41 H14 -6.1446 0.1582 1.1496 H 1 UNK 0.0618 42 H15 -4.5729 -1.3307 0.0812 H 1 UNK 0.0621 43 H16 -5.7913 -6.5935 -1.8821 H 1 UNK 0.0440 44 H17 -7.2516 -5.9858 -1.1398 H 1 UNK 0.0440 45 H18 -6.9604 -7.7071 -1.2141 H 1 UNK 0.0440 46 H19 -7.8594 -7.4580 5.6234 H 1 UNK 0.0299 47 H20 -6.8619 -6.3785 6.5683 H 1 UNK 0.0299 48 H21 -6.4337 -8.0668 6.4294 H 1 UNK 0.0299 49 H22 -3.1897 -6.2057 6.9419 H 1 UNK 0.0344 50 H23 -4.4473 -7.4122 7.0678 H 1 UNK 0.0344 51 H24 -4.8628 -5.7151 7.0555 H 1 UNK 0.0344 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 16 1 10 9 10 1 11 10 15 ar 12 10 11 ar 13 11 12 ar 14 12 13 ar 15 13 14 ar 16 14 15 ar 17 16 17 1 18 17 18 1 19 17 19 am 20 19 20 2 21 19 21 1 22 21 22 1 23 22 23 2 24 23 24 1 25 23 25 1 26 25 26 1 27 1 27 1 28 1 28 1 29 1 29 1 30 2 30 1 31 2 31 1 32 6 32 1 33 6 33 1 34 7 34 1 35 7 35 1 36 9 36 1 37 9 37 1 38 11 38 1 39 12 39 1 40 13 40 1 41 14 41 1 42 15 42 1 43 18 43 1 44 18 44 1 45 18 45 1 46 24 46 1 47 24 47 1 48 24 48 1 49 26 49 1 50 26 50 1 51 26 51 1