@MOLECULE FDBD00023 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 P 4.4798 1.6292 0.0623 P.3 1 UNK -0.0150 2 O 1.0170 -0.7489 1.0535 O.3 1 UNK -0.3093 3 O1 -0.7355 -2.8912 -1.2399 O.3 1 UNK -0.3803 4 O2 1.2625 -3.7185 0.4059 O.3 1 UNK -0.3862 5 O3 3.5092 0.4657 0.6332 O.3 1 UNK -0.3646 6 O4 3.6381 2.2634 -1.1644 O.co2 1 UNK -0.5770 7 O5 5.6477 0.7934 -0.6808 O.co2 1 UNK -0.5770 8 O6 4.9595 2.6141 1.0880 O.2 1 UNK -0.6377 9 N -1.0832 -0.0675 0.1845 N.ar 1 UNK -0.1333 10 N1 -1.7183 2.0201 -0.2812 N.ar 1 UNK -0.2989 11 N2 -3.2595 -1.1090 0.4687 N.ar 1 UNK -0.1731 12 N3 -5.0643 0.4999 0.1363 N.ar 1 UNK -0.2186 13 N4 -4.6558 2.7958 -0.4014 N.pl3 1 UNK -0.3412 14 C 0.2271 -1.9392 -0.8354 C.3 1 UNK 0.1728 15 C1 1.5341 -2.5673 -0.3934 C.3 1 UNK 0.1184 16 C2 -0.1975 -1.2041 0.4267 C.3 1 UNK 0.2980 17 C3 2.1325 -1.4814 0.4954 C.3 1 UNK 0.1174 18 C4 3.0125 -0.5046 -0.2719 C.3 1 UNK 0.0798 19 C5 -2.4498 -0.0704 0.2133 C.ar 1 UNK 0.3369 20 C6 -0.6922 1.2116 -0.1163 C.ar 1 UNK 0.2499 21 C7 -2.8231 1.2319 -0.0782 C.ar 1 UNK 0.1769 22 C8 -4.1874 1.5024 -0.1124 C.ar 1 UNK 0.1499 23 C9 -4.5533 -0.7255 0.4074 C.ar 1 UNK 0.1247 24 H -0.4302 -3.3377 -2.0451 H 1 UNK 0.2103 25 H1 0.8813 -4.4157 -0.1504 H 1 UNK 0.2100 26 H2 -1.6975 2.9794 -0.5017 H 1 UNK 0.1712 27 H3 -5.6235 2.9755 -0.4229 H 1 UNK 0.1438 28 H4 -4.0161 3.5220 -0.5824 H 1 UNK 0.1438 29 H5 0.3286 -1.3144 -1.6981 H 1 UNK 0.0716 30 H6 2.1628 -2.8718 -1.2039 H 1 UNK 0.0649 31 H7 -0.7631 -1.8733 1.0409 H 1 UNK 0.1445 32 H8 2.7514 -1.9427 1.2364 H 1 UNK 0.0648 33 H9 3.8294 -1.0310 -0.7197 H 1 UNK 0.0590 34 H10 2.4428 -0.0276 -1.0419 H 1 UNK 0.0590 35 H11 0.2928 1.5068 -0.2034 H 1 UNK 0.1600 36 H12 -5.2471 -1.4668 0.5922 H 1 UNK 0.1050 @BOND 1 1 5 1 2 1 6 1 3 1 7 1 4 1 8 2 5 2 16 1 6 2 17 1 7 3 14 1 8 4 15 1 9 5 18 1 10 9 16 1 11 9 19 ar 12 9 20 ar 13 10 20 ar 14 10 21 ar 15 11 19 ar 16 11 23 ar 17 12 22 ar 18 12 23 ar 19 13 22 1 20 14 15 1 21 14 16 1 22 15 17 1 23 17 18 1 24 19 21 ar 25 21 22 ar 26 3 24 1 27 4 25 1 28 10 26 1 29 13 27 1 30 13 28 1 31 14 29 1 32 15 30 1 33 16 31 1 34 17 32 1 35 18 33 1 36 18 34 1 37 20 35 1 38 23 36 1