@MOLECULE pm7-esp/WE/WEWBKJCMZILZLR-UHFFFAOYSA-N.out 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.3345 0.8787 0.4086 S.3 1 UNL1 -0.0099 2 S 2.5806 2.6057 -0.2467 S.3 1 UNL1 0.0260 3 O 0.7932 -1.8667 -0.7621 O.3 1 UNL1 -0.0939 4 O -0.1005 -4.5132 -0.5668 O.2 1 UNL1 -0.4173 5 O -1.1568 -0.1736 0.4202 O.2 1 UNL1 -0.4295 6 O 1.4233 -2.2414 1.3932 O.2 1 UNL1 -0.4370 7 N -0.4850 -2.2311 -0.4158 N.am 1 UNL1 -0.4229 8 N -3.3273 2.3061 0.3645 N.2 1 UNL1 -0.4161 9 N -4.0943 1.6322 -0.3490 N.2 1 UNL1 0.4404 10 N -4.9577 1.0815 -0.8408 N.2 1 UNL1 -0.2089 11 C -2.1741 -3.6422 0.4228 C.3 1 UNL1 -0.3453 12 C -2.5120 -2.1834 0.7813 C.3 1 UNL1 -0.3475 13 C -0.8009 -3.6084 -0.2215 C.2 1 UNL1 0.5817 14 C -1.3348 -1.3508 0.3054 C.2 1 UNL1 0.5767 15 C 3.0870 -1.7507 -0.3267 C.3 1 UNL1 -0.3388 16 C 1.7281 -1.9687 0.2689 C.2 1 UNL1 0.5098 17 C 3.2401 -0.3686 -0.9401 C.3 1 UNL1 -0.3310 18 C 0.8234 2.5154 -0.0919 C.ar 1 UNL1 -0.1674 19 C 0.0633 2.1324 -1.1951 C.ar 1 UNL1 -0.0556 20 C 0.2121 2.8387 1.1211 C.ar 1 UNL1 -0.0602 21 C -1.9298 2.3533 0.1367 C.ar 1 UNL1 0.2240 22 C -1.3224 2.0531 -1.0898 C.ar 1 UNL1 -0.2453 23 C -1.1697 2.7660 1.2431 C.ar 1 UNL1 -0.1826 24 H -2.1587 -4.2997 1.3145 H 1 UNL1 0.1886 25 H -2.9145 -4.0876 -0.2695 H 1 UNL1 0.1862 26 H -3.4505 -1.8396 0.3065 H 1 UNL1 0.1857 27 H -2.6548 -2.0419 1.8715 H 1 UNL1 0.1908 28 H 3.2723 -2.5328 -1.1035 H 1 UNL1 0.1885 29 H 3.8578 -1.9454 0.4586 H 1 UNL1 0.1968 30 H 4.1684 -0.3095 -1.5425 H 1 UNL1 0.1712 31 H 2.4109 -0.1472 -1.6392 H 1 UNL1 0.1722 32 H 0.5348 1.8862 -2.1496 H 1 UNL1 0.1612 33 H 0.8063 3.1382 1.9889 H 1 UNL1 0.1686 34 H -1.9114 1.7450 -1.9483 H 1 UNL1 0.1612 35 H -1.6636 3.0035 2.1852 H 1 UNL1 0.1795 @BOND 1 32 19 1 2 34 22 1 3 31 17 1 4 30 17 1 5 19 22 ar 6 19 18 ar 7 28 15 1 8 22 21 ar 9 17 15 1 10 17 1 1 11 10 9 2 12 3 7 1 13 3 16 1 14 4 13 2 15 7 13 am 16 7 14 am 17 9 8 2 18 15 16 1 19 15 29 1 20 25 11 1 21 2 18 1 22 2 1 1 23 13 11 1 24 18 20 ar 25 21 8 1 26 21 23 ar 27 16 6 2 28 14 5 2 29 14 12 1 30 26 12 1 31 11 12 1 32 11 24 1 33 12 27 1 34 20 23 ar 35 20 33 1 36 23 35 1