@MOLECULE FDBD00505 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9998 -0.5205 -0.9524 O.3 1 UNK -0.3094 2 O1 1.2085 2.2652 1.1770 O.3 1 UNK -0.3803 3 O2 3.4012 2.1355 -0.4232 O.3 1 UNK -0.3862 4 O3 3.7891 -2.6031 -0.3835 O.3 1 UNK -0.3924 5 N -0.2134 -0.2591 -0.1379 N.ar 1 UNK -0.1333 6 N1 -1.6397 -1.8913 0.3913 N.ar 1 UNK -0.2989 7 N2 -1.7853 1.5466 -0.5513 N.ar 1 UNK -0.1731 8 N3 -4.0890 0.8118 -0.2214 N.ar 1 UNK -0.2186 9 N4 -4.6438 -1.4234 0.4295 N.pl3 1 UNK -0.3412 10 C 1.7170 0.9876 0.8516 C.3 1 UNK 0.1728 11 C1 1.0575 0.4149 -0.3937 C.3 1 UNK 0.2980 12 C2 3.1742 1.0172 0.4346 C.3 1 UNK 0.1183 13 C3 3.3045 -0.2641 -0.3829 C.3 1 UNK 0.1169 14 C4 3.7054 -1.4672 0.4592 C.3 1 UNK 0.0732 15 C5 -1.4639 0.2870 -0.2203 C.ar 1 UNK 0.3369 16 C6 -0.3728 -1.5695 0.2323 C.ar 1 UNK 0.2499 17 C7 -2.3326 -0.7403 0.1117 C.ar 1 UNK 0.1769 18 C8 -3.6915 -0.4420 0.1040 C.ar 1 UNK 0.1499 19 C9 -3.1253 1.7148 -0.5244 C.ar 1 UNK 0.1247 20 H 0.2768 2.1862 1.4352 H 1 UNK 0.2103 21 H1 3.3206 2.9563 0.0874 H 1 UNK 0.2100 22 H2 4.0442 -3.3775 0.1420 H 1 UNK 0.2095 23 H3 -2.0087 -2.7656 0.6532 H 1 UNK 0.1712 24 H4 -5.6028 -1.2008 0.4207 H 1 UNK 0.1438 25 H5 -4.3518 -2.3333 0.6663 H 1 UNK 0.1438 26 H6 1.5437 0.4224 1.7435 H 1 UNK 0.0716 27 H7 0.8187 1.2193 -1.0576 H 1 UNK 0.1445 28 H8 3.8569 1.0897 1.2553 H 1 UNK 0.0649 29 H9 4.0701 -0.1291 -1.1182 H 1 UNK 0.0648 30 H10 4.6561 -1.2866 0.9157 H 1 UNK 0.0584 31 H11 2.9781 -1.6345 1.2259 H 1 UNK 0.0584 32 H12 0.4099 -2.2278 0.3704 H 1 UNK 0.1600 33 H13 -3.4608 2.6599 -0.7678 H 1 UNK 0.1050 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 3 12 1 5 4 14 1 6 5 11 1 7 5 15 ar 8 5 16 ar 9 6 16 ar 10 6 17 ar 11 7 15 ar 12 7 19 ar 13 8 18 ar 14 8 19 ar 15 9 18 1 16 10 11 1 17 10 12 1 18 12 13 1 19 13 14 1 20 15 17 ar 21 17 18 ar 22 2 20 1 23 3 21 1 24 4 22 1 25 6 23 1 26 9 24 1 27 9 25 1 28 10 26 1 29 11 27 1 30 12 28 1 31 13 29 1 32 14 30 1 33 14 31 1 34 16 32 1 35 19 33 1