@MOLECULE tppa 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 P 0.0038 -0.0029 0.3235 P.3 1 UNL111111111 0.3471 2 O 0.5162 -1.2749 -0.5103 O.3 1 UNL111111111 -0.1888 3 O 0.8492 1.0952 -0.4826 O.3 1 UNL111111111 -0.1917 4 O -1.3669 0.1908 -0.4865 O.3 1 UNL111111111 -0.1937 5 O 0.0037 -0.0148 1.7692 O.2 1 UNL111111111 -0.2564 6 C 0.1953 -2.5822 -0.1970 C.ar 1 UNL111111111 0.2702 7 C 2.1420 1.4697 -0.1760 C.ar 1 UNL111111111 0.2737 8 C -2.3396 1.1195 -0.1788 C.ar 1 UNL111111111 0.2743 9 C -0.8812 -3.0840 0.5308 C.ar 1 UNL111111111 -0.2471 10 C 3.1087 0.8142 0.5865 C.ar 1 UNL111111111 -0.2498 11 C -2.2664 2.2729 0.6010 C.ar 1 UNL111111111 -0.2504 12 C 1.1283 -3.4348 -0.8180 C.ar 1 UNL111111111 -0.2477 13 C 2.4194 2.6824 -0.8349 C.ar 1 UNL111111111 -0.2495 14 C -3.5217 0.7651 -0.8571 C.ar 1 UNL111111111 -0.2506 15 C -1.0019 -4.4682 0.6679 C.ar 1 UNL111111111 -0.0911 16 C 4.3747 1.3917 0.6939 C.ar 1 UNL111111111 -0.0901 17 C -3.4046 3.0711 0.7171 C.ar 1 UNL111111111 -0.0897 18 C 0.9786 -4.8059 -0.6727 C.ar 1 UNL111111111 -0.0935 19 C 3.6909 3.2251 -0.7189 C.ar 1 UNL111111111 -0.0924 20 C -4.6364 1.5819 -0.7268 C.ar 1 UNL111111111 -0.0922 21 C -0.0808 -5.3267 0.0767 C.ar 1 UNL111111111 -0.2216 22 C 4.6691 2.5886 0.0495 C.ar 1 UNL111111111 -0.2231 23 C -4.5858 2.7321 0.0633 C.ar 1 UNL111111111 -0.2234 24 H -1.6296 -2.4445 0.9969 H 1 UNL111111111 0.1791 25 H 2.9157 -0.1249 1.1034 H 1 UNL111111111 0.1792 26 H -1.3603 2.5712 1.1275 H 1 UNL111111111 0.1793 27 H 1.9440 -3.0097 -1.4007 H 1 UNL111111111 0.1725 28 H 1.6452 3.1697 -1.4242 H 1 UNL111111111 0.1728 29 H -3.5454 -0.1335 -1.4704 H 1 UNL111111111 0.1724 30 H -1.8292 -4.8784 1.2472 H 1 UNL111111111 0.1460 31 H 5.1408 0.8952 1.2900 H 1 UNL111111111 0.1458 32 H -3.3652 3.9715 1.3288 H 1 UNL111111111 0.1455 33 H 1.6912 -5.4822 -1.1429 H 1 UNL111111111 0.1457 34 H 3.9270 4.1589 -1.2273 H 1 UNL111111111 0.1455 35 H -5.5588 1.3213 -1.2434 H 1 UNL111111111 0.1453 36 H -0.1814 -6.4016 0.1916 H 1 UNL111111111 0.1494 37 H 5.6568 3.0301 0.1408 H 1 UNL111111111 0.1495 38 H -5.4662 3.3596 0.1636 H 1 UNL111111111 0.1496 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 2 5 2 6 1 6 3 7 1 7 4 8 1 8 6 9 ar 9 6 12 ar 10 7 10 ar 11 7 13 ar 12 8 11 ar 13 8 14 ar 14 9 15 ar 15 9 24 1 16 10 16 ar 17 10 25 1 18 11 17 ar 19 11 26 1 20 12 18 ar 21 12 27 1 22 13 19 ar 23 13 28 1 24 14 20 ar 25 14 29 1 26 15 21 ar 27 15 30 1 28 16 22 ar 29 16 31 1 30 17 23 ar 31 17 32 1 32 18 21 ar 33 18 33 1 34 19 22 ar 35 19 34 1 36 20 23 ar 37 20 35 1 38 21 36 1 39 22 37 1 40 23 38 1