@MOLECULE indican 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0052 0.6176 0.2042 O.3 1 UNL111111111 -0.4360 2 O 0.3774 -1.1118 -0.0524 O.3 1 UNL111111111 -0.2510 3 O -4.1903 -1.8787 0.5306 O.3 1 UNL111111111 -0.5231 4 O -4.6173 0.9938 0.2315 O.3 1 UNL111111111 -0.5400 5 O -1.8094 -2.7711 -0.8726 O.3 1 UNL111111111 -0.4967 6 O -1.0616 3.3732 0.2762 O.3 1 UNL111111111 -0.5397 7 N 2.8263 1.0173 -1.6043 N.ar 1 UNL111111111 -0.3677 8 C -3.3313 -1.0010 -0.1650 C.3 1 UNL111111111 0.0319 9 C -3.3728 0.3968 0.4839 C.3 1 UNL111111111 0.0360 10 C -1.9308 -1.6380 -0.0585 C.3 1 UNL111111111 0.0705 11 C -2.2262 1.2890 -0.0231 C.3 1 UNL111111111 0.0109 12 C -0.8678 -0.6078 -0.5032 C.3 1 UNL111111111 0.2289 13 C -2.0791 2.5689 0.8226 C.3 1 UNL111111111 -0.0059 14 C 1.4259 -0.3623 -0.4765 C.ar 1 UNL111111111 0.1278 15 C 2.7150 -0.4596 0.1493 C.ar 1 UNL111111111 -0.1322 16 C 3.5646 0.4388 -0.5811 C.ar 1 UNL111111111 0.1384 17 C 1.5087 0.5409 -1.5256 C.ar 1 UNL111111111 -0.1738 18 C 3.2553 -1.2038 1.2026 C.ar 1 UNL111111111 -0.0604 19 C 4.9124 0.6306 -0.2336 C.ar 1 UNL111111111 -0.2362 20 C 4.5860 -1.0211 1.5300 C.ar 1 UNL111111111 -0.2188 21 C 5.3958 -0.0957 0.8354 C.ar 1 UNL111111111 -0.0867 22 H -3.6830 -0.9674 -1.2204 H 1 UNL111111111 0.1239 23 H -3.3613 0.3134 1.5977 H 1 UNL111111111 0.1771 24 H -1.7303 -2.0357 0.9648 H 1 UNL111111111 0.1944 25 H -2.3208 1.5371 -1.1017 H 1 UNL111111111 0.1334 26 H -0.8676 -0.4247 -1.5959 H 1 UNL111111111 0.1188 27 H -1.8413 2.3375 1.8777 H 1 UNL111111111 0.1365 28 H -2.9846 3.2034 0.7655 H 1 UNL111111111 0.1534 29 H -5.0146 -1.4062 0.7905 H 1 UNL111111111 0.3270 30 H -4.7295 1.2214 -0.7142 H 1 UNL111111111 0.3171 31 H -2.2590 -2.6559 -1.7356 H 1 UNL111111111 0.3055 32 H 0.7633 0.8884 -2.2096 H 1 UNL111111111 0.1700 33 H -0.2112 2.8787 0.2665 H 1 UNL111111111 0.3318 34 H 3.1426 1.7025 -2.2488 H 1 UNL111111111 0.3169 35 H 2.6284 -1.9119 1.7408 H 1 UNL111111111 0.1605 36 H 5.5359 1.3267 -0.7781 H 1 UNL111111111 0.1568 37 H 5.0336 -1.6009 2.3334 H 1 UNL111111111 0.1539 38 H 6.4297 0.0367 1.1560 H 1 UNL111111111 0.1471 @BOND 1 1 11 1 2 1 12 1 3 2 12 1 4 2 14 1 5 3 8 1 6 3 29 1 7 4 9 1 8 4 30 1 9 5 10 1 10 5 31 1 11 6 13 1 12 6 33 1 13 7 16 ar 14 7 17 ar 15 7 34 1 16 8 9 1 17 8 10 1 18 8 22 1 19 9 11 1 20 9 23 1 21 10 12 1 22 10 24 1 23 11 13 1 24 11 25 1 25 12 26 1 26 13 27 1 27 13 28 1 28 14 15 ar 29 14 17 ar 30 15 16 ar 31 15 18 ar 32 16 19 ar 33 17 32 1 34 18 20 ar 35 18 35 1 36 19 21 ar 37 19 36 1 38 20 21 ar 39 20 37 1 40 21 38 1