@MOLECULE FDBD00074 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5388 1.3731 0.3533 S.3 1 UNK -0.1269 2 O 1.2115 -0.8117 -0.3408 O.3 1 UNK -0.3536 3 N -2.1258 -0.3789 -0.9177 N.4 1 UNK 0.2373 4 C 0.2364 0.2575 -0.3179 C.3 1 UNK 0.1224 5 C1 -0.5365 0.2475 1.0369 C.3 1 UNK 0.0036 6 C2 -0.7886 -0.0228 -1.4504 C.3 1 UNK -0.0010 7 C3 -1.7254 1.2207 0.9573 C.3 1 UNK -0.0067 8 C4 -1.1378 -1.1591 1.2368 C.3 1 UNK -0.0067 9 C5 -2.6633 0.7836 -0.1784 C.3 1 UNK -0.0314 10 C6 -1.9893 -1.5207 0.0106 C.3 1 UNK -0.0314 11 C7 1.0238 1.5464 -0.6057 C.3 1 UNK 0.0305 12 C8 2.3712 -0.4258 0.4091 C.3 1 UNK 0.1024 13 C9 3.5851 -1.1098 -0.1931 C.3 1 UNK -0.0292 14 H -2.7527 -0.6310 -1.6818 H 1 UNK 0.2034 15 H1 0.1306 0.5203 1.8277 H 1 UNK 0.0334 16 H2 -0.8811 0.8540 -2.0566 H 1 UNK 0.0843 17 H3 -0.4296 -0.8536 -2.0211 H 1 UNK 0.0843 18 H4 -1.3656 2.2096 0.7633 H 1 UNK 0.0320 19 H5 -2.2580 1.2131 1.8853 H 1 UNK 0.0320 20 H6 -1.7513 -1.1652 2.1134 H 1 UNK 0.0320 21 H7 -0.3506 -1.8745 1.3526 H 1 UNK 0.0320 22 H8 -3.6128 0.5200 0.2386 H 1 UNK 0.0814 23 H9 -2.7577 1.5993 -0.8644 H 1 UNK 0.0814 24 H10 -1.5244 -2.3340 -0.5065 H 1 UNK 0.0814 25 H11 -2.9667 -1.7910 0.3519 H 1 UNK 0.0814 26 H12 1.2443 1.6298 -1.6494 H 1 UNK 0.0407 27 H13 0.4743 2.4261 -0.3429 H 1 UNK 0.0407 28 H14 2.2810 -0.7226 1.4332 H 1 UNK 0.0710 29 H15 3.6856 -0.8203 -1.2183 H 1 UNK 0.0263 30 H16 3.4631 -2.1711 -0.1325 H 1 UNK 0.0263 31 H17 4.4622 -0.8202 0.3470 H 1 UNK 0.0263 @BOND 1 1 11 1 2 1 12 1 3 2 4 1 4 2 12 1 5 3 6 1 6 3 9 1 7 3 10 1 8 4 5 1 9 4 6 1 10 4 11 1 11 5 7 1 12 5 8 1 13 7 9 1 14 8 10 1 15 12 13 1 16 3 14 1 17 5 15 1 18 6 16 1 19 6 17 1 20 7 18 1 21 7 19 1 22 8 20 1 23 8 21 1 24 9 22 1 25 9 23 1 26 10 24 1 27 10 25 1 28 11 26 1 29 11 27 1 30 12 28 1 31 13 29 1 32 13 30 1 33 13 31 1