@MOLECULE bezafibrate 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 1.9718 -3.6790 -0.2109 Cl 1 UNL11111111 -0.0796 2 O 1.8970 2.2129 -0.5198 O.3 1 UNL11111111 -0.3725 3 O 4.5411 0.3426 0.8620 O.3 1 UNL11111111 -0.5767 4 O 4.2202 2.5439 0.7572 O.2 1 UNL11111111 -0.4568 5 O -4.3178 -1.2873 -0.2135 O.2 1 UNL11111111 -0.4930 6 N -3.1527 0.2099 1.0538 N.am 1 UNL11111111 -0.5856 7 C 2.5404 0.9761 -0.1973 C.3 1 UNL11111111 0.2567 8 C -3.7181 2.2594 -0.2670 C.3 1 UNL11111111 -0.3224 9 C -2.2287 2.3264 -0.4042 C.ar 1 UNL11111111 -0.0185 10 C -4.1241 1.2932 0.8806 C.3 1 UNL11111111 -0.0551 11 C 0.5257 2.1990 -0.4870 C.ar 1 UNL11111111 0.2192 12 C 1.7415 0.1117 0.7660 C.3 1 UNL11111111 -0.5008 13 C 2.8946 0.2584 -1.4933 C.3 1 UNL11111111 -0.4834 14 C -1.4742 2.9765 0.5785 C.ar 1 UNL11111111 -0.1565 15 C -1.5948 1.6708 -1.4625 C.ar 1 UNL11111111 -0.1476 16 C -0.0857 2.9126 0.5472 C.ar 1 UNL11111111 -0.2015 17 C -0.2065 1.6001 -1.5109 C.ar 1 UNL11111111 -0.2183 18 C 3.8218 1.4446 0.5032 C.2 1 UNL11111111 0.5950 19 C -3.2784 -0.9548 0.3104 C.2 1 UNL11111111 0.5746 20 C -2.0095 -1.7376 0.2113 C.ar 1 UNL11111111 -0.1416 21 C -1.3579 -2.2078 1.3483 C.ar 1 UNL11111111 -0.1014 22 C -1.4733 -1.9327 -1.0631 C.ar 1 UNL11111111 -0.0861 23 C -0.1226 -2.8430 1.2194 C.ar 1 UNL11111111 -0.1804 24 C -0.2322 -2.5472 -1.2018 C.ar 1 UNL11111111 -0.1834 25 C 0.4211 -2.9764 -0.0518 C.ar 1 UNL11111111 0.0437 26 H -4.1864 1.9179 -1.2130 H 1 UNL11111111 0.1613 27 H -4.1458 3.2628 -0.0772 H 1 UNL11111111 0.1572 28 H -4.1961 1.8461 1.8412 H 1 UNL11111111 0.1399 29 H -5.1310 0.8606 0.6731 H 1 UNL11111111 0.1681 30 H 1.4381 0.6692 1.6611 H 1 UNL11111111 0.1653 31 H 2.3339 -0.7542 1.1027 H 1 UNL11111111 0.1840 32 H 0.8306 -0.2860 0.2988 H 1 UNL11111111 0.1670 33 H 3.6518 -0.5219 -1.3251 H 1 UNL11111111 0.1770 34 H 2.0192 -0.2293 -1.9372 H 1 UNL11111111 0.1592 35 H 3.2915 0.9607 -2.2400 H 1 UNL11111111 0.1716 36 H -1.9742 3.5250 1.3743 H 1 UNL11111111 0.1570 37 H -2.1888 1.2030 -2.2468 H 1 UNL11111111 0.1577 38 H 0.5280 3.4074 1.2978 H 1 UNL11111111 0.1777 39 H 0.3036 1.0942 -2.3293 H 1 UNL11111111 0.1700 40 H -2.2312 0.5053 1.3556 H 1 UNL11111111 0.3090 41 H -1.8091 -2.0825 2.3340 H 1 UNL11111111 0.1691 42 H -2.0254 -1.5969 -1.9437 H 1 UNL11111111 0.1724 43 H 5.3931 0.5528 1.3134 H 1 UNL11111111 0.3546 44 H 0.3983 -3.2183 2.1004 H 1 UNL11111111 0.1770 45 H 0.2066 -2.6901 -2.1891 H 1 UNL11111111 0.1767 @BOND 1 39 17 1 2 37 15 1 3 35 13 1 4 45 24 1 5 42 22 1 6 34 13 1 7 17 15 ar 8 17 11 ar 9 13 33 1 10 13 7 1 11 15 9 ar 12 26 8 1 13 24 22 ar 14 24 25 ar 15 22 20 ar 16 2 11 1 17 2 7 1 18 11 16 ar 19 9 8 1 20 9 14 ar 21 8 27 1 22 8 10 1 23 5 19 2 24 1 25 1 25 7 18 1 26 7 12 1 27 25 23 ar 28 20 19 1 29 20 21 ar 30 32 12 1 31 19 6 am 32 18 4 2 33 18 3 1 34 16 14 ar 35 16 38 1 36 14 36 1 37 29 10 1 38 12 31 1 39 12 30 1 40 3 43 1 41 10 6 1 42 10 28 1 43 6 40 1 44 23 21 ar 45 23 44 1 46 21 41 1