@MOLECULE FDBD01609 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0749 0.4590 -2.0126 O.2 1 UNK -0.2693 2 N -2.0746 -0.4818 0.3443 N.4 1 UNK 0.2437 3 N1 0.6435 0.2567 0.2554 N.am 1 UNK -0.2804 4 C -1.6455 0.7349 -0.3467 C.3 1 UNK 0.0567 5 C1 -3.4177 -0.3089 0.8952 C.3 1 UNK -0.0314 6 C2 -1.7240 1.9244 0.6187 C.3 1 UNK -0.0038 7 C3 -2.0379 -1.6252 -0.5661 C.3 1 UNK -0.0341 8 C4 -0.2175 0.4594 -0.8199 C.2 1 UNK 0.2655 9 C5 -4.4238 -0.0676 -0.2273 C.3 1 UNK -0.0153 10 C6 -1.2208 3.2151 -0.0161 C.3 1 UNK -0.0597 11 C7 -2.4205 -2.9095 0.1403 C.3 1 UNK -0.0244 12 C8 2.0303 -0.0220 0.2095 C.ar 1 UNK 0.0394 13 C9 -5.8274 0.1371 0.3216 C.3 1 UNK -0.0605 14 C10 2.4590 -1.3398 0.1555 C.ar 1 UNK -0.0290 15 C11 2.9368 1.0275 0.2200 C.ar 1 UNK -0.0290 16 C12 3.8259 -1.6146 0.1110 C.ar 1 UNK -0.0571 17 C13 4.3036 0.7529 0.1753 C.ar 1 UNK -0.0571 18 C14 1.4957 -2.4823 0.1435 C.3 1 UNK -0.0379 19 C15 2.4918 2.4531 0.2776 C.3 1 UNK -0.0379 20 C16 4.7482 -0.5683 0.1208 C.ar 1 UNK -0.0611 21 H -1.4305 -0.6615 1.1145 H 1 UNK 0.2041 22 H1 0.2407 0.3139 1.1519 H 1 UNK 0.1550 23 H2 -2.2667 0.9837 -1.1816 H 1 UNK 0.0950 24 H3 -3.4216 0.5302 1.5591 H 1 UNK 0.0814 25 H4 -3.6935 -1.1967 1.4249 H 1 UNK 0.0814 26 H5 -1.1274 1.7088 1.4804 H 1 UNK 0.0322 27 H6 -2.7513 2.0666 0.8820 H 1 UNK 0.0322 28 H7 -1.0474 -1.7258 -0.9583 H 1 UNK 0.0812 29 H8 -2.7428 -1.4514 -1.3521 H 1 UNK 0.0812 30 H9 -4.4256 -0.9144 -0.8814 H 1 UNK 0.0314 31 H10 -4.1353 0.8179 -0.7542 H 1 UNK 0.0314 32 H11 -0.1928 3.1007 -0.2899 H 1 UNK 0.0232 33 H12 -1.3160 4.0180 0.6847 H 1 UNK 0.0232 34 H13 -1.8003 3.4329 -0.8889 H 1 UNK 0.0232 35 H14 -1.7264 -3.1017 0.9316 H 1 UNK 0.0281 36 H15 -2.3993 -3.7203 -0.5575 H 1 UNK 0.0281 37 H16 -3.4060 -2.8136 0.5458 H 1 UNK 0.0281 38 H17 -6.1340 -0.7396 0.8528 H 1 UNK 0.0232 39 H18 -6.5038 0.3187 -0.4874 H 1 UNK 0.0232 40 H19 -5.8319 0.9762 0.9855 H 1 UNK 0.0232 41 H20 4.1547 -2.5920 0.0708 H 1 UNK 0.0621 42 H21 4.9860 1.5271 0.1825 H 1 UNK 0.0621 43 H22 0.4950 -2.1055 0.1818 H 1 UNK 0.0278 44 H23 1.6739 -3.1080 0.9930 H 1 UNK 0.0278 45 H24 1.6285 -3.0514 -0.7528 H 1 UNK 0.0278 46 H25 1.4229 2.4922 0.3069 H 1 UNK 0.0278 47 H26 2.8440 2.9720 -0.5893 H 1 UNK 0.0278 48 H27 2.8898 2.9158 1.1565 H 1 UNK 0.0278 49 H28 5.7595 -0.7715 0.0877 H 1 UNK 0.0618 @BOND 1 1 8 2 2 2 4 1 3 2 5 1 4 2 7 1 5 3 8 am 6 3 12 1 7 4 6 1 8 4 8 1 9 5 9 1 10 6 10 1 11 7 11 1 12 9 13 1 13 12 14 ar 14 12 15 ar 15 14 16 ar 16 14 18 1 17 15 17 ar 18 15 19 1 19 16 20 ar 20 17 20 ar 21 2 21 1 22 3 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 7 28 1 29 7 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 10 33 1 34 10 34 1 35 11 35 1 36 11 36 1 37 11 37 1 38 13 38 1 39 13 39 1 40 13 40 1 41 16 41 1 42 17 42 1 43 18 43 1 44 18 44 1 45 18 45 1 46 19 46 1 47 19 47 1 48 19 48 1 49 20 49 1