@MOLECULE pnb 24 25 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.3165 -1.0760 -0.0046 O.2 1 UNL1111111111 -0.4011 2 O 4.3149 1.0751 0.0028 O.2 1 UNL1111111111 -0.4012 3 N 3.7379 -0.0008 -0.0009 N.pl3 1 UNL1111111111 0.6228 4 C -0.4766 0.0011 0.0009 C.ar 1 UNL1111111111 0.0479 5 C -1.9446 0.0020 -0.0006 C.ar 1 UNL1111111111 -0.0442 6 C 0.2129 -1.2145 0.0001 C.ar 1 UNL1111111111 -0.1791 7 C 0.2139 1.2161 0.0045 C.ar 1 UNL1111111111 -0.1791 8 C -2.6359 0.0057 -1.2127 C.ar 1 UNL1111111111 -0.1481 9 C -2.6360 -0.0011 1.2115 C.ar 1 UNL1111111111 -0.1484 10 C 2.2844 -0.0008 -0.0005 C.ar 1 UNL1111111111 -0.0904 11 C 1.6027 -1.2212 -0.0001 C.ar 1 UNL1111111111 -0.0738 12 C 1.6035 1.2203 0.0014 C.ar 1 UNL1111111111 -0.0739 13 C -4.0283 0.0020 -1.2092 C.ar 1 UNL1111111111 -0.1405 14 C -4.0285 -0.0040 1.2079 C.ar 1 UNL1111111111 -0.1404 15 C -4.7234 -0.0035 -0.0006 C.ar 1 UNL1111111111 -0.1426 16 H -0.3428 -2.1525 0.0009 H 1 UNL1111111111 0.1713 17 H -0.3404 2.1549 0.0103 H 1 UNL1111111111 0.1713 18 H -2.0882 0.0115 -2.1536 H 1 UNL1111111111 0.1588 19 H -2.0879 -0.0008 2.1524 H 1 UNL1111111111 0.1588 20 H 2.1586 -2.1647 -0.0004 H 1 UNL1111111111 0.1860 21 H 2.1608 2.1628 0.0014 H 1 UNL1111111111 0.1860 22 H -4.5738 0.0038 -2.1516 H 1 UNL1111111111 0.1540 23 H -4.5735 -0.0075 2.1506 H 1 UNL1111111111 0.1540 24 H -5.8119 -0.0070 -0.0008 H 1 UNL1111111111 0.1520 @BOND 1 1 3 2 2 2 3 2 3 3 10 1 4 4 5 1 5 4 6 ar 6 4 7 ar 7 5 8 ar 8 5 9 ar 9 6 11 ar 10 6 16 1 11 7 12 ar 12 7 17 1 13 8 13 ar 14 8 18 1 15 9 14 ar 16 9 19 1 17 10 11 ar 18 10 12 ar 19 11 20 1 20 12 21 1 21 13 15 ar 22 13 22 1 23 14 15 ar 24 14 23 1 25 15 24 1