REMARK Name = BDB058104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.570 0.874 0.256 0.00 0.00 +0.048 C ATOM 2 C LIG 1 4.086 1.123 0.171 0.00 0.00 +0.004 C ATOM 3 C LIG 1 3.097 0.289 0.591 0.00 0.00 -0.000 C ATOM 4 C LIG 1 3.407 -1.030 1.218 0.00 0.00 +0.025 A ATOM 5 C LIG 1 2.822 -2.241 0.789 0.00 0.00 +0.131 A ATOM 6 C LIG 1 3.114 -3.432 1.469 0.00 0.00 +0.084 A ATOM 7 C LIG 1 3.959 -3.426 2.570 0.00 0.00 +0.127 A ATOM 8 C LIG 1 4.515 -2.244 3.031 0.00 0.00 +0.039 A ATOM 9 F LIG 1 4.226 -4.574 3.206 0.00 0.00 -0.205 F ATOM 10 O LIG 1 1.918 -2.432 -0.225 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 1.664 -1.387 -1.160 0.00 0.00 +0.265 C ATOM 12 C LIG 1 0.961 -0.206 -0.537 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -0.386 0.070 -0.804 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -1.034 1.154 -0.189 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -0.303 1.974 0.684 0.00 0.00 +0.004 A ATOM 16 C LIG 1 1.038 1.704 0.959 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.227 -1.051 2.367 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.674 0.623 0.342 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 3.796 2.435 -0.463 0.00 0.00 +0.179 A ATOM 20 N LIG 1 3.052 2.495 -1.564 0.00 0.00 -0.272 N ATOM 21 H LIG 1 2.562 1.760 -2.040 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 2.953 3.791 -1.891 0.00 0.00 +0.440 A ATOM 23 O LIG 1 2.305 4.246 -2.820 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 3.697 4.522 -1.001 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 4.241 3.579 -0.072 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 -2.487 1.475 -0.483 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -3.394 0.291 -0.453 0.00 0.00 +0.051 A ATOM 28 N LIG 1 -3.719 -0.420 0.687 0.00 0.00 -0.303 N ATOM 29 C LIG 1 -4.573 -1.448 0.286 0.00 0.00 +0.139 A ATOM 30 C LIG 1 -5.050 -2.338 1.291 0.00 0.00 +0.066 A ATOM 31 C LIG 1 -4.673 -2.163 2.571 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -3.782 -1.080 2.960 0.00 0.00 +0.038 A ATOM 33 CL LIG 1 -5.235 -3.225 3.808 0.00 0.00 -0.083 Cl ATOM 34 N LIG 1 -4.801 -1.413 -1.008 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 -3.329 -0.237 2.015 0.00 0.00 +0.094 A ATOM 36 C LIG 1 -4.089 -0.341 -1.464 0.00 0.00 +0.067 A BRANCH 36 37 ATOM 37 C LIG 1 -4.069 0.079 -2.955 0.00 0.00 +0.040 C ATOM 38 C LIG 1 -4.820 1.315 -3.376 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -5.337 -0.040 -3.760 0.00 0.00 +0.010 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4