@MOLECULE FDBD01123 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.2215 -1.9618 -0.3840 S.O2 1 UNK 0.1317 2 O 0.6471 -1.9141 -1.7149 O.2 1 UNK -0.1304 3 O1 2.0273 -3.0950 0.0279 O.2 1 UNK -0.1304 4 O2 -2.9046 0.6417 -1.9624 O.2 1 UNK -0.1731 5 N -3.5171 0.3158 0.2417 N.am 1 UNK -0.0986 6 N1 -0.0019 -1.6959 0.7745 N.pl3 1 UNK -0.0917 7 N2 -1.4519 -0.5119 -0.6491 N.am 1 UNK 0.0945 8 N3 4.5540 2.9072 0.3537 N.pl3 1 UNK -0.3580 9 C 2.2128 -0.5146 -0.1651 C.ar 1 UNK 0.1289 10 C1 -1.2018 -0.9892 0.5242 C.cat 1 UNK 0.3411 11 C2 -4.7754 1.0321 0.0637 C.3 1 UNK 0.1484 12 C3 -3.2065 -0.2119 1.4784 C.2 1 UNK 0.1786 13 C4 -2.0724 -0.8763 1.7024 C.2 1 UNK 0.0922 14 C5 3.2521 -0.5395 0.7488 C.ar 1 UNK -0.0314 15 C6 1.9303 0.6170 -0.9103 C.ar 1 UNK -0.0314 16 C7 -2.6392 0.1746 -0.8535 C.2 1 UNK 0.6183 17 C8 4.0333 0.6029 0.9226 C.ar 1 UNK -0.0391 18 C9 2.7118 1.7593 -0.7366 C.ar 1 UNK -0.0391 19 C10 3.7633 1.7523 0.1798 C.ar 1 UNK 0.0247 20 C11 -4.5827 2.5073 0.3583 C.3 1 UNK -0.0054 21 H 0.1364 -2.0590 1.6791 H 1 UNK 0.3257 22 H1 5.2963 2.9028 1.0004 H 1 UNK 0.1423 23 H2 4.3636 3.7178 -0.1716 H 1 UNK 0.1423 24 H3 -5.5085 0.6308 0.7319 H 1 UNK 0.1023 25 H4 -5.1030 0.9174 -0.9484 H 1 UNK 0.1023 26 H5 -3.8741 -0.0882 2.2556 H 1 UNK 0.1374 27 H6 -1.8278 -1.2759 2.6219 H 1 UNK 0.0757 28 H7 3.4467 -1.3932 1.2951 H 1 UNK 0.0638 29 H8 1.1507 0.6157 -1.5865 H 1 UNK 0.0638 30 H9 4.8111 0.5978 1.6008 H 1 UNK 0.0636 31 H10 2.5120 2.6096 -1.2862 H 1 UNK 0.0636 32 H11 -4.2549 2.6292 1.3695 H 1 UNK 0.0290 33 H12 -5.5100 3.0229 0.2194 H 1 UNK 0.0290 34 H13 -3.8473 2.9106 -0.3061 H 1 UNK 0.0290 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 9 1 5 4 16 2 6 5 11 1 7 5 12 1 8 5 16 am 9 6 10 1 10 7 10 2 11 7 16 1 12 8 19 1 13 9 14 ar 14 9 15 ar 15 10 13 1 16 11 20 1 17 12 13 2 18 14 17 ar 19 15 18 ar 20 17 19 ar 21 18 19 ar 22 6 21 1 23 8 22 1 24 8 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 17 30 1 32 18 31 1 33 20 32 1 34 20 33 1 35 20 34 1