@MOLECULE tmp 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.0467 0.6848 0.1593 P.3 1 UNL1 0.3481 2 O 0.1645 -1.6529 -1.2538 O.3 1 UNL1 -0.3939 3 O 0.1651 -4.4768 -0.0348 O.3 1 UNL1 -0.5487 4 O -2.2751 -0.6622 -0.2116 O.3 1 UNL1 -0.2213 5 O 3.6999 -0.7041 0.6436 O.2 1 UNL1 -0.5317 6 O 2.4053 3.6317 0.6948 O.2 1 UNL1 -0.4710 7 O -2.0685 1.8990 -0.1373 O.3 1 UNL1 -0.3496 8 O -3.0715 0.6137 1.7604 O.3 1 UNL1 -0.4309 9 O -4.2862 0.7899 -0.5846 O.2 1 UNL1 -0.2008 10 N 1.7642 -0.1743 -0.4664 N.ar 1 UNL1 -0.5167 11 N 3.0415 1.4789 0.6810 N.ar 1 UNL1 -0.6318 12 C 0.3213 -3.1989 0.5381 C.3 1 UNL1 0.1136 13 C -0.6362 -2.2871 -0.2602 C.3 1 UNL1 0.0689 14 C 1.7182 -2.6133 0.2684 C.3 1 UNL1 -0.3975 15 C 1.5125 -1.5940 -0.8653 C.3 1 UNL1 0.3276 16 C -1.2810 -1.2388 0.6620 C.3 1 UNL1 -0.0831 17 C 0.9410 0.8191 -0.9820 C.ar 1 UNL1 0.1284 18 C 2.8989 0.1439 0.3049 C.ar 1 UNL1 0.7013 19 C 1.1085 2.1234 -0.6461 C.ar 1 UNL1 -0.2634 20 C 2.1740 2.5288 0.2612 C.ar 1 UNL1 0.6011 21 C 0.2625 3.2100 -1.1966 C.3 1 UNL1 -0.4088 22 H 0.0812 -3.2731 1.6171 H 1 UNL1 0.1294 23 H -1.3879 -2.8490 -0.8622 H 1 UNL1 0.1890 24 H 2.0969 -1.8075 -1.7933 H 1 UNL1 0.1567 25 H 2.1554 -2.1736 1.1841 H 1 UNL1 0.1930 26 H 2.4381 -3.3934 -0.0394 H 1 UNL1 0.1779 27 H -0.5236 -0.5244 1.0359 H 1 UNL1 0.1361 28 H -1.7773 -1.7293 1.5265 H 1 UNL1 0.1453 29 H 0.8175 -5.1102 0.3241 H 1 UNL1 0.3212 30 H 0.1418 0.4854 -1.6697 H 1 UNL1 0.2127 31 H 3.8441 1.7161 1.2707 H 1 UNL1 0.3462 32 H -0.1842 3.8248 -0.3961 H 1 UNL1 0.1700 33 H -0.5678 2.8413 -1.8199 H 1 UNL1 0.1698 34 H 0.8542 3.9011 -1.8192 H 1 UNL1 0.1650 35 H -1.1806 1.7790 0.3582 H 1 UNL1 0.3165 36 H -3.8505 1.1643 2.1144 H 1 UNL1 0.3316 @BOND 1 33 21 1 2 34 21 1 3 24 15 1 4 30 17 1 5 2 15 1 6 2 13 1 7 21 19 1 8 21 32 1 9 17 19 ar 10 17 10 ar 11 15 10 1 12 15 14 1 13 23 13 1 14 19 20 ar 15 9 1 2 16 10 18 ar 17 13 12 1 18 13 16 1 19 4 1 1 20 4 16 1 21 7 1 1 22 7 35 1 23 26 14 1 24 3 29 1 25 3 12 1 26 1 8 1 27 20 11 ar 28 20 6 2 29 14 12 1 30 14 25 1 31 18 5 2 32 18 11 ar 33 12 22 1 34 16 27 1 35 16 28 1 36 11 31 1 37 8 36 1