@MOLECULE FDBD02117 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.8137 2.0310 0.0025 C.3 1 UNK 0.0384 2 O 0.6268 0.6354 0.2461 O.3 1 UNK -0.3648 3 C1 1.0545 -0.2045 -0.8281 C.3 1 UNK 0.1128 4 N 2.5092 -0.3682 -0.7705 N.am 1 UNK -0.2919 5 C2 3.0428 -1.4379 -0.1480 C.2 1 UNK 0.2250 6 O1 2.3187 -2.2650 0.3644 O.2 1 UNK -0.2748 7 C3 4.5392 -1.6064 -0.0888 C.3 1 UNK 0.0787 8 S 4.9378 -3.2194 0.6392 S.3 1 UNK -0.0646 9 P 4.5143 -4.5719 -0.9374 P.3 1 UNK 0.2291 10 S1 5.0515 -6.2872 -0.4455 S.2 1 UNK 0.0032 11 O2 2.9322 -4.5699 -1.2358 O.3 1 UNK -0.3267 12 C4 1.9790 -5.2108 -0.3856 C.3 1 UNK 0.0441 13 O3 5.3107 -4.1192 -2.2614 O.3 1 UNK -0.3267 14 C5 6.6805 -3.7126 -2.2448 C.3 1 UNK 0.0441 15 H 1.8723 2.2327 -0.1616 H 1 UNK 0.0524 16 H1 0.2467 2.3248 -0.8809 H 1 UNK 0.0524 17 H2 0.4647 2.6002 0.8641 H 1 UNK 0.0524 18 H3 0.5754 -1.1795 -0.7398 H 1 UNK 0.0769 19 H4 0.7776 0.2518 -1.7785 H 1 UNK 0.0769 20 H5 3.0883 0.2933 -1.1804 H 1 UNK 0.1509 21 H6 4.9513 -1.5507 -1.0964 H 1 UNK 0.0476 22 H7 4.9700 -0.8147 0.5242 H 1 UNK 0.0476 23 H8 2.2035 -6.2757 -0.3259 H 1 UNK 0.0528 24 H9 2.0287 -4.7725 0.6111 H 1 UNK 0.0528 25 H10 0.9777 -5.0729 -0.7936 H 1 UNK 0.0528 26 H11 7.3056 -4.5538 -1.9451 H 1 UNK 0.0528 27 H12 6.9727 -3.3795 -3.2406 H 1 UNK 0.0528 28 H13 6.8081 -2.8944 -1.5360 H 1 UNK 0.0528 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 3 4 1 7 3 18 1 8 3 19 1 9 4 5 am 10 4 20 1 11 5 6 2 12 5 7 1 13 7 8 1 14 7 21 1 15 7 22 1 16 8 9 1 17 9 10 2 18 9 11 1 19 9 13 1 20 11 12 1 21 12 23 1 22 12 24 1 23 12 25 1 24 13 14 1 25 14 26 1 26 14 27 1 27 14 28 1