@MOLECULE u-90042 38 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.4204 0.7438 0.0251 Cl 1 UNL1 -0.0597 2 O 4.8574 -1.3737 -0.2256 O.2 1 UNL1 -0.0143 3 N -0.0166 0.7349 -0.1662 N.ar 1 UNL1 -0.4273 4 N -0.9754 -1.4353 0.0212 N.ar 1 UNL1 -0.3448 5 N 3.2452 0.0214 0.4139 N.2 1 UNL1 -0.4841 6 N -1.2698 2.6366 -0.0718 N.2 1 UNL1 -0.4220 7 N 0.8142 -2.7973 0.0585 N.ar 1 UNL1 -0.2605 8 N 3.6693 -2.0309 -0.4235 N.4 1 UNL1 -0.2141 9 C 5.6672 0.7604 0.6059 C.3 1 UNL1 -0.1852 10 C 6.5063 1.3245 -0.5270 C.3 1 UNL1 -0.2934 11 C 5.5815 2.2305 0.2379 C.3 1 UNL1 -0.2719 12 C 4.5513 -0.1193 0.2878 C.2 1 UNL1 0.2524 13 C 0.1762 -0.6046 -0.0386 C.ar 1 UNL1 0.3290 14 C 1.0124 1.7973 -0.0999 C.3 1 UNL1 -0.0882 15 C -1.3142 1.3405 -0.0852 C.ar 1 UNL1 0.3527 16 C 1.2822 -1.4767 -0.0143 C.ar 1 UNL1 -0.1083 17 C -2.4729 0.4610 -0.0376 C.ar 1 UNL1 -0.1304 18 C -2.2823 -0.9390 0.0155 C.ar 1 UNL1 0.2176 19 C 0.1344 3.0903 -0.1028 C.3 1 UNL1 -0.1154 20 C 2.6879 -1.2102 -0.0325 C.2 1 UNL1 0.2823 21 C -0.5031 -2.7794 0.0798 C.ar 1 UNL1 0.0923 22 C -3.7674 0.9861 -0.0334 C.ar 1 UNL1 -0.0645 23 C -3.3876 -1.8040 0.0658 C.ar 1 UNL1 -0.2143 24 C -4.8377 0.1075 0.0192 C.ar 1 UNL1 -0.0336 25 C -4.6714 -1.2749 0.0675 C.ar 1 UNL1 -0.0812 26 H 6.1673 0.4806 1.5485 H 1 UNL1 0.1906 27 H 6.2742 1.0537 -1.5559 H 1 UNL1 0.1700 28 H 7.5837 1.4060 -0.4013 H 1 UNL1 0.1654 29 H 5.9826 2.9733 0.9235 H 1 UNL1 0.1619 30 H 4.6767 2.6104 -0.2351 H 1 UNL1 0.1710 31 H 1.6869 1.7269 -0.9750 H 1 UNL1 0.1628 32 H 1.6305 1.7000 0.8197 H 1 UNL1 0.1838 33 H 0.3280 3.7308 0.7802 H 1 UNL1 0.1616 34 H 0.2968 3.7045 -1.0108 H 1 UNL1 0.1611 35 H -1.1660 -3.6252 0.1351 H 1 UNL1 0.2002 36 H -3.9090 2.0746 -0.0713 H 1 UNL1 0.2037 37 H -3.2442 -2.8831 0.1035 H 1 UNL1 0.1782 38 H -5.5374 -1.9409 0.1069 H 1 UNL1 0.1764 @BOND 1 27 10 1 2 34 19 1 3 31 14 1 4 10 28 1 5 10 11 1 6 10 9 1 7 8 2 1 8 8 20 1 9 30 11 1 10 2 12 1 11 3 14 1 12 3 15 ar 13 3 13 ar 14 19 14 1 15 19 6 1 16 19 33 1 17 14 32 1 18 15 6 2 19 15 17 ar 20 36 22 1 21 13 16 ar 22 13 4 ar 23 17 22 ar 24 17 18 ar 25 22 24 ar 26 20 16 1 27 20 5 2 28 16 7 ar 29 18 4 ar 30 18 23 ar 31 24 1 1 32 24 25 ar 33 4 21 ar 34 7 21 ar 35 23 25 ar 36 23 37 1 37 25 38 1 38 21 35 1 39 11 9 1 40 11 29 1 41 12 5 2 42 12 9 1 43 9 26 1