@MOLECULE pf-4800567 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.3335 -0.0184 1.5203 Cl 1 UNL1 -0.0779 2 O 5.9996 2.3367 0.6671 O.3 1 UNL1 -0.3872 3 O -1.7295 0.2608 -0.2715 O.3 1 UNL1 -0.3511 4 N 2.6693 -0.1035 -0.1364 N.ar 1 UNL1 -0.1715 5 N 1.6957 0.7992 -0.4555 N.ar 1 UNL1 -0.2271 6 N 2.7957 -2.5479 0.1798 N.ar 1 UNL1 -0.5236 7 N 0.6807 -3.6669 -0.1534 N.ar 1 UNL1 -0.5849 8 N -1.2961 -2.5746 -0.7191 N.pl3 1 UNL1 -0.5568 9 C 4.0401 0.3156 0.1860 C.3 1 UNL1 0.1222 10 C 4.6310 1.1571 -0.9584 C.3 1 UNL1 -0.3457 11 C 4.0556 1.1345 1.4898 C.3 1 UNL1 -0.3480 12 C 6.0328 1.6138 -0.5484 C.3 1 UNL1 -0.0335 13 C 5.4917 1.5895 1.7565 C.3 1 UNL1 -0.0323 14 C 2.1492 -1.3824 -0.0974 C.ar 1 UNL1 0.2947 15 C 0.7514 -1.2742 -0.4286 C.ar 1 UNL1 -0.3654 16 C 0.5428 0.1232 -0.6492 C.ar 1 UNL1 0.0838 17 C -0.6884 0.8388 -1.0707 C.3 1 UNL1 -0.0207 18 C 0.0307 -2.4971 -0.4283 C.ar 1 UNL1 0.4915 19 C 2.0089 -3.6384 0.1250 C.ar 1 UNL1 0.3133 20 C -2.9757 0.7846 -0.4000 C.ar 1 UNL1 0.2779 21 C -3.8875 0.2139 0.5033 C.ar 1 UNL1 -0.2817 22 C -3.3611 1.7589 -1.3207 C.ar 1 UNL1 -0.3024 23 C -5.1958 0.6566 0.4365 C.ar 1 UNL1 0.0935 24 C -4.6940 2.1709 -1.3436 C.ar 1 UNL1 -0.0494 25 C -5.6276 1.6225 -0.4673 C.ar 1 UNL1 -0.2480 26 H 4.6345 -0.6350 0.3181 H 1 UNL1 0.1718 27 H 4.6593 0.5832 -1.9010 H 1 UNL1 0.1557 28 H 3.9829 2.0380 -1.1523 H 1 UNL1 0.1793 29 H 3.3857 2.0141 1.3925 H 1 UNL1 0.1775 30 H 3.6629 0.5425 2.3355 H 1 UNL1 0.1585 31 H 6.4469 2.3592 -1.2526 H 1 UNL1 0.1409 32 H 6.7355 0.7673 -0.4568 H 1 UNL1 0.1191 33 H 6.1638 0.7396 1.9691 H 1 UNL1 0.1196 34 H 5.5452 2.3177 2.5868 H 1 UNL1 0.1421 35 H -0.9130 0.6613 -2.1429 H 1 UNL1 0.1520 36 H -0.6276 1.9290 -0.8646 H 1 UNL1 0.1669 37 H 2.4827 -4.6133 0.3367 H 1 UNL1 0.1993 38 H -1.7745 -3.4549 -0.6582 H 1 UNL1 0.3242 39 H -1.8384 -1.7321 -0.7593 H 1 UNL1 0.3257 40 H -3.5534 -0.5288 1.2263 H 1 UNL1 0.1951 41 H -2.6512 2.2005 -2.0135 H 1 UNL1 0.1712 42 H -5.0088 2.9328 -2.0584 H 1 UNL1 0.1549 43 H -6.6659 1.9474 -0.4911 H 1 UNL1 0.1762 @BOND 1 35 17 1 2 42 24 1 3 41 22 1 4 27 10 1 5 24 22 ar 6 24 25 ar 7 22 20 ar 8 31 12 1 9 28 10 1 10 17 36 1 11 17 16 1 12 17 3 1 13 10 12 1 14 10 9 1 15 39 8 1 16 8 38 1 17 8 18 1 18 16 5 ar 19 16 15 ar 20 12 32 1 21 12 2 1 22 43 25 1 23 25 23 ar 24 5 4 ar 25 15 18 ar 26 15 14 ar 27 18 7 ar 28 20 3 1 29 20 21 ar 30 7 19 ar 31 4 14 ar 32 4 9 1 33 14 6 ar 34 19 6 ar 35 19 37 1 36 9 26 1 37 9 11 1 38 23 21 ar 39 23 1 1 40 21 40 1 41 2 13 1 42 29 11 1 43 11 13 1 44 11 30 1 45 13 33 1 46 13 34 1