REMARK Name = BDB058956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.724 -0.049 0.377 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -1.754 1.316 0.165 0.00 0.00 +0.180 A ATOM 3 O LIG 1 -3.001 1.675 -0.249 0.00 0.00 -0.353 OA ATOM 4 N LIG 1 -3.801 0.557 -0.356 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -3.034 -0.478 0.009 0.00 0.00 +0.128 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -3.576 -1.832 0.005 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.760 -2.522 -1.214 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -4.303 -3.822 -1.189 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -4.641 -4.436 0.016 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.448 -3.758 1.216 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -3.920 -2.464 1.215 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -3.727 -1.689 2.753 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -3.406 -1.898 -2.545 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -3.340 -2.817 -3.554 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -4.320 -0.979 -2.959 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -2.196 -1.275 -2.556 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -0.797 2.409 0.233 0.00 0.00 +0.021 A ATOM 18 C LIG 1 0.485 2.273 -0.318 0.00 0.00 +0.011 A ATOM 19 C LIG 1 1.409 3.317 -0.232 0.00 0.00 +0.001 A ATOM 20 C LIG 1 1.059 4.509 0.400 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -0.216 4.660 0.940 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -1.141 3.617 0.855 0.00 0.00 +0.011 A ENDBRANCH 2 17 BRANCH 1 25 ATOM 23 N LIG 1 0.243 -0.293 1.712 0.00 0.00 -0.307 N ATOM 24 H LIG 1 0.125 0.678 1.965 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -0.631 -0.882 0.828 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -0.520 -2.049 0.464 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 1.452 -0.950 2.146 0.00 0.00 +0.139 C BRANCH 27 31 ATOM 28 C LIG 1 4.766 0.520 -0.202 0.00 0.00 +0.059 A ATOM 29 C LIG 1 4.462 1.109 1.030 0.00 0.00 +0.015 A ATOM 30 C LIG 1 3.398 0.627 1.798 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.630 -0.455 1.345 0.00 0.00 -0.030 A ATOM 32 C LIG 1 2.936 -1.037 0.106 0.00 0.00 +0.006 A ATOM 33 C LIG 1 3.999 -0.556 -0.663 0.00 0.00 +0.015 A BRANCH 28 35 ATOM 34 O LIG 1 6.582 2.027 -0.666 0.00 0.00 -0.245 OA ATOM 35 C LIG 1 5.896 1.074 -0.985 0.00 0.00 +0.337 C BRANCH 35 36 ATOM 36 O LIG 1 6.112 0.411 -2.134 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 6.874 0.876 -2.538 0.00 0.00 +0.295 HD ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 23 27 ENDBRANCH 1 25 TORSDOF 8