@MOLECULE pardoprunox 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3483 -1.3261 -0.0577 O.2 1 UNL1111 -0.2719 2 O 2.9900 -2.9108 -0.1607 O.2 1 UNL1111 -0.4412 3 N -1.0400 0.4458 -0.0657 N.pl3 1 UNL1111 -0.3965 4 N -3.7730 -0.3684 0.2434 N.3 1 UNL1111 -0.4002 5 N 3.5112 -0.6226 -0.0898 N.ar 1 UNL1111 -0.5545 6 C -2.1318 1.4428 -0.0651 C.3 1 UNL1111 -0.1004 7 C -1.3949 -0.7399 0.7465 C.3 1 UNL1111 -0.0931 8 C -3.4201 0.7844 -0.6187 C.3 1 UNL1111 -0.1280 9 C -2.6858 -1.3748 0.1791 C.3 1 UNL1111 -0.1268 10 C 0.2661 0.9238 0.0562 C.ar 1 UNL1111 0.2289 11 C 1.3659 0.0646 -0.0000 C.ar 1 UNL1111 -0.0294 12 C -5.0616 -0.9614 -0.1706 C.3 1 UNL1111 -0.2828 13 C 0.5998 2.3007 0.1100 C.ar 1 UNL1111 -0.2986 14 C 2.7025 0.5243 -0.0240 C.ar 1 UNL1111 0.1745 15 C 1.9174 2.7476 0.0819 C.ar 1 UNL1111 -0.0505 16 C 3.0075 1.8753 0.0138 C.ar 1 UNL1111 -0.2746 17 C 2.6799 -1.7558 -0.1100 C.ar 1 UNL1111 0.6691 18 H -1.8582 2.2936 -0.7271 H 1 UNL1111 0.1435 19 H -2.3245 1.8406 0.9562 H 1 UNL1111 0.1401 20 H -1.5493 -0.4604 1.8132 H 1 UNL1111 0.1403 21 H -0.5804 -1.4959 0.7138 H 1 UNL1111 0.1648 22 H -4.2487 1.5231 -0.5821 H 1 UNL1111 0.1388 23 H -3.2691 0.5011 -1.6826 H 1 UNL1111 0.1307 24 H -2.4990 -1.7492 -0.8507 H 1 UNL1111 0.1338 25 H -2.9687 -2.2471 0.8062 H 1 UNL1111 0.1432 26 H -5.0721 -1.3699 -1.1919 H 1 UNL1111 0.1222 27 H -5.8534 -0.1985 -0.0904 H 1 UNL1111 0.1452 28 H -5.3223 -1.7695 0.5341 H 1 UNL1111 0.1489 29 H -0.1920 3.0410 0.1848 H 1 UNL1111 0.1630 30 H 2.1087 3.8217 0.1204 H 1 UNL1111 0.1504 31 H 4.0255 2.2404 -0.0070 H 1 UNL1111 0.1681 32 H 4.5084 -0.6316 -0.1220 H 1 UNL1111 0.3431 @BOND 1 1 11 ar 2 1 17 ar 3 2 17 2 4 3 6 1 5 3 7 1 6 3 10 1 7 4 8 1 8 4 9 1 9 4 12 1 10 5 14 ar 11 5 17 ar 12 5 32 1 13 6 8 1 14 6 18 1 15 6 19 1 16 7 9 1 17 7 20 1 18 7 21 1 19 8 22 1 20 8 23 1 21 9 24 1 22 9 25 1 23 10 11 ar 24 10 13 ar 25 11 14 ar 26 12 26 1 27 12 27 1 28 12 28 1 29 13 15 ar 30 13 29 1 31 14 16 ar 32 15 16 ar 33 15 30 1 34 16 31 1