@MOLECULE FDBD02181 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8831 -2.4612 4.6279 C.3 1 UNK -0.0645 2 C1 2.3711 -1.9020 3.2990 C.3 1 UNK -0.0463 3 C2 1.3217 -2.8510 2.7168 C.3 1 UNK 0.0054 4 S 0.7145 -2.1879 1.1412 S.3 1 UNK -0.0283 5 P 2.2992 -2.6183 -0.1997 P.3 1 UNK 0.4426 6 O 1.9033 -2.2305 -1.5720 O.2 1 UNK -0.2333 7 O1 3.6098 -1.7905 0.2350 O.3 1 UNK -0.2914 8 C3 3.6758 -0.3634 0.2010 C.3 1 UNK 0.0558 9 C4 5.0925 0.0903 0.5585 C.3 1 UNK -0.0410 10 O2 2.6226 -4.1950 -0.1598 O.3 1 UNK -0.4166 11 C5 1.6097 -4.9787 -0.6145 C.ar 1 UNK 0.1307 12 C6 0.6392 -5.4388 0.2637 C.ar 1 UNK -0.0194 13 C7 -0.3897 -6.2349 -0.2011 C.ar 1 UNK -0.0583 14 C8 -0.4525 -6.5736 -1.5401 C.ar 1 UNK -0.0615 15 C9 0.5137 -6.1168 -2.4173 C.ar 1 UNK -0.0583 16 C10 1.5412 -5.3153 -1.9586 C.ar 1 UNK -0.0194 17 H 3.6170 -1.7975 5.0351 H 1 UNK 0.0230 18 H1 3.3233 -3.4226 4.4644 H 1 UNK 0.0230 19 H2 2.0671 -2.5545 5.3137 H 1 UNK 0.0230 20 H3 3.1871 -1.8087 2.6132 H 1 UNK 0.0271 21 H4 1.9309 -0.9406 3.4626 H 1 UNK 0.0271 22 H5 0.5057 -2.9444 3.4026 H 1 UNK 0.0382 23 H6 1.7619 -3.8124 2.5532 H 1 UNK 0.0382 24 H7 2.9823 0.0426 0.9075 H 1 UNK 0.0563 25 H8 3.4279 -0.0182 -0.7810 H 1 UNK 0.0563 26 H9 5.3404 -0.2549 1.5405 H 1 UNK 0.0252 27 H10 5.1419 1.1589 0.5330 H 1 UNK 0.0252 28 H11 5.7860 -0.3157 -0.1480 H 1 UNK 0.0252 29 H12 0.6859 -5.1866 1.2633 H 1 UNK 0.0654 30 H13 -1.1121 -6.5771 0.4517 H 1 UNK 0.0619 31 H14 -1.2219 -7.1684 -1.8854 H 1 UNK 0.0618 32 H15 0.4673 -6.3748 -3.4155 H 1 UNK 0.0619 33 H16 2.2572 -4.9673 -2.6153 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 5 10 1 8 7 8 1 9 8 9 1 10 10 11 1 11 11 16 ar 12 11 12 ar 13 12 13 ar 14 13 14 ar 15 14 15 ar 16 15 16 ar 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 8 24 1 25 8 25 1 26 9 26 1 27 9 27 1 28 9 28 1 29 12 29 1 30 13 30 1 31 14 31 1 32 15 32 1 33 16 33 1