@MOLECULE idp 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.5540 -1.6241 -0.7604 P.3 1 UNL1 0.3795 2 P 4.5727 0.7052 1.0225 P.3 1 UNL1 0.4061 3 O -0.7468 -0.4367 -0.5568 O.3 1 UNL1 -0.4002 4 O -1.7885 2.6508 -1.5077 O.3 1 UNL1 -0.5703 5 O 0.5646 2.3969 0.8428 O.3 1 UNL1 -0.5600 6 O 1.9952 -1.4306 -0.9555 O.3 1 UNL1 -0.1372 7 O 3.9447 -0.4995 0.2547 O.3 1 UNL1 -0.3468 8 O 4.1360 -1.1442 -2.1625 O.3 1 UNL1 -0.3636 9 O 3.8681 -2.9472 -0.2640 O.2 1 UNL1 -0.2170 10 O -7.0522 -1.5076 1.5636 O.2 1 UNL1 -0.3658 11 O 5.5403 1.4726 0.0316 O.3 1 UNL1 -0.2825 12 O 5.6018 -0.0190 1.9993 O.3 1 UNL1 -0.3673 13 O 3.5561 1.5575 1.6052 O.2 1 UNL1 -0.2419 14 N -2.8817 -0.0208 0.1463 N.ar 1 UNL1 -0.3861 15 N -3.9428 -1.2944 1.6959 N.ar 1 UNL1 -0.2831 16 N -4.9024 0.7101 -1.1401 N.ar 1 UNL1 -0.5150 17 N -6.9532 -0.1589 -0.2703 N.ar 1 UNL1 -0.5349 18 C -1.3542 1.8827 -0.4111 C.3 1 UNL1 0.0532 19 C 0.1868 1.7808 -0.3611 C.3 1 UNL1 0.0645 20 C -1.8276 0.4418 -0.7442 C.3 1 UNL1 0.2526 21 C 0.4814 0.2679 -0.3369 C.3 1 UNL1 0.0317 22 C 1.4178 -0.2057 -1.4579 C.3 1 UNL1 -0.0716 23 C -4.2414 0.0304 -0.1364 C.ar 1 UNL1 0.2106 24 C -2.7515 -0.8750 1.2782 C.ar 1 UNL1 0.1208 25 C -4.8945 -0.7563 0.8415 C.ar 1 UNL1 -0.1590 26 C -6.3506 -0.8886 0.8146 C.ar 1 UNL1 0.5975 27 C -6.3103 0.5581 -1.1253 C.ar 1 UNL1 0.3132 28 H -1.7757 2.2882 0.5368 H 1 UNL1 0.1720 29 H 0.6712 2.3215 -1.2008 H 1 UNL1 0.1459 30 H -2.1523 0.3411 -1.8142 H 1 UNL1 0.1636 31 H 0.8257 -0.0714 0.6715 H 1 UNL1 0.1904 32 H 2.1036 0.5921 -1.7942 H 1 UNL1 0.1525 33 H 0.8355 -0.5630 -2.3402 H 1 UNL1 0.1556 34 H -1.6567 3.6083 -1.3358 H 1 UNL1 0.3426 35 H 1.5095 2.1931 1.0568 H 1 UNL1 0.3586 36 H -1.7885 -1.1142 1.7008 H 1 UNL1 0.2072 37 H -4.4136 1.3623 -1.7321 H 1 UNL1 0.3310 38 H -6.8376 1.0946 -1.9318 H 1 UNL1 0.1885 39 H 5.1159 -1.4248 -2.2287 H 1 UNL1 0.3168 40 H 6.4287 0.9533 -0.0228 H 1 UNL1 0.3101 41 H 5.1519 -0.8505 2.4027 H 1 UNL1 0.3381 @BOND 1 33 22 1 2 39 8 1 3 8 1 1 4 38 27 1 5 30 20 1 6 32 22 1 7 37 16 1 8 4 34 1 9 4 18 1 10 22 6 1 11 22 21 1 12 29 19 1 13 16 27 ar 14 16 23 ar 15 27 17 ar 16 6 1 1 17 1 9 2 18 1 7 1 19 20 3 1 20 20 18 1 21 20 14 1 22 3 21 1 23 18 19 1 24 18 28 1 25 19 21 1 26 19 5 1 27 21 31 1 28 17 26 ar 29 23 14 ar 30 23 25 ar 31 40 11 1 32 11 2 1 33 14 24 ar 34 7 2 1 35 26 25 ar 36 26 10 2 37 25 15 ar 38 5 35 1 39 2 13 2 40 2 12 1 41 24 15 ar 42 24 36 1 43 12 41 1