@MOLECULE FDBD01888 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0764 1.0577 9.1809 C.3 1 UNK -0.0130 2 C1 0.0606 -0.4443 9.0594 C.2 1 UNK 0.1104 3 N -0.0564 -0.9980 7.8961 N.2 1 UNK -0.0712 4 O -0.2487 -0.3091 6.9102 O.3 1 UNK -0.2977 5 C2 -0.2575 -0.9355 5.7194 C.2 1 UNK 0.4392 6 O1 -0.1711 -2.1467 5.6693 O.2 1 UNK -0.2229 7 N1 -0.3621 -0.2197 4.5822 N.am 1 UNK -0.1962 8 C3 -0.4800 -0.9057 3.2931 C.3 1 UNK 0.0193 9 S -0.3575 1.4352 4.6421 S.3 1 UNK 0.0605 10 N2 -1.9700 1.8116 4.6660 N.am 1 UNK -0.1962 11 C4 -2.6570 2.0098 5.9446 C.3 1 UNK 0.0193 12 C5 -2.6503 1.9356 3.5091 C.2 1 UNK 0.4392 13 O2 -3.8124 2.2907 3.5226 O.2 1 UNK -0.2229 14 O3 -2.0427 1.6661 2.3392 O.3 1 UNK -0.2977 15 N3 -2.7325 1.7046 1.3361 N.2 1 UNK -0.0712 16 C6 -2.2301 1.3688 0.1922 C.2 1 UNK 0.1104 17 C7 -0.7623 1.0466 0.0793 C.3 1 UNK -0.0130 18 S1 -3.2619 1.2883 -1.2338 S.3 1 UNK -0.1107 19 C8 -4.8481 1.7611 -0.5011 C.3 1 UNK -0.0123 20 S2 0.2015 -1.4464 10.5019 S.3 1 UNK -0.1107 21 C9 0.1228 -3.0913 9.7508 C.3 1 UNK -0.0123 22 H -0.0191 1.4952 8.2091 H 1 UNK 0.0299 23 H1 0.9991 1.3700 9.6235 H 1 UNK 0.0299 24 H2 -0.7396 1.3744 9.7964 H 1 UNK 0.0299 25 H3 -0.4651 -1.9641 3.4496 H 1 UNK 0.0440 26 H4 0.3395 -0.6266 2.6643 H 1 UNK 0.0440 27 H5 -1.4005 -0.6275 2.8239 H 1 UNK 0.0440 28 H6 -1.9631 1.8721 6.7474 H 1 UNK 0.0440 29 H7 -3.4530 1.3005 6.0355 H 1 UNK 0.0440 30 H8 -3.0567 3.0015 5.9848 H 1 UNK 0.0440 31 H9 -0.3000 1.1481 1.0389 H 1 UNK 0.0299 32 H10 -0.3012 1.7209 -0.6118 H 1 UNK 0.0299 33 H11 -0.6434 0.0420 -0.2694 H 1 UNK 0.0299 34 H12 -5.6047 1.7610 -1.2578 H 1 UNK 0.0344 35 H13 -4.7675 2.7403 -0.0774 H 1 UNK 0.0344 36 H14 -5.1098 1.0614 0.2650 H 1 UNK 0.0344 37 H15 0.1969 -3.8363 10.5152 H 1 UNK 0.0344 38 H16 0.9318 -3.2071 9.0602 H 1 UNK 0.0344 39 H17 -0.8069 -3.2028 9.2330 H 1 UNK 0.0344 @BOND 1 1 2 1 2 2 3 2 3 2 20 1 4 3 4 1 5 4 5 1 6 5 6 2 7 5 7 am 8 7 8 1 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 am 13 12 13 2 14 12 14 1 15 14 15 1 16 15 16 2 17 16 17 1 18 16 18 1 19 18 19 1 20 20 21 1 21 1 22 1 22 1 23 1 23 1 24 1 24 8 25 1 25 8 26 1 26 8 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 17 31 1 31 17 32 1 32 17 33 1 33 19 34 1 34 19 35 1 35 19 36 1 36 21 37 1 37 21 38 1 38 21 39 1