REMARK Name = BDB058098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.364 -1.183 2.232 0.00 0.00 +0.048 C ATOM 2 C LIG 1 3.058 -0.764 1.607 0.00 0.00 +0.004 C ATOM 3 C LIG 1 2.870 0.262 0.733 0.00 0.00 -0.000 C ATOM 4 C LIG 1 4.004 1.125 0.288 0.00 0.00 +0.025 A ATOM 5 C LIG 1 4.276 1.398 -1.071 0.00 0.00 +0.131 A ATOM 6 C LIG 1 5.321 2.270 -1.408 0.00 0.00 +0.084 A ATOM 7 C LIG 1 6.077 2.880 -0.417 0.00 0.00 +0.127 A ATOM 8 C LIG 1 5.804 2.657 0.922 0.00 0.00 +0.039 A ATOM 9 F LIG 1 7.071 3.710 -0.759 0.00 0.00 -0.205 F ATOM 10 O LIG 1 3.599 0.949 -2.176 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 2.662 -0.117 -2.049 0.00 0.00 +0.265 C ATOM 12 C LIG 1 1.431 0.279 -1.270 0.00 0.00 -0.002 A ATOM 13 C LIG 1 0.188 0.448 -1.895 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -0.947 0.802 -1.148 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -0.807 1.041 0.228 0.00 0.00 +0.004 A ATOM 16 C LIG 1 0.428 0.888 0.856 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.763 1.796 1.272 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.541 0.483 0.114 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 1.942 -1.633 2.063 0.00 0.00 +0.179 A ATOM 20 N LIG 1 1.204 -2.299 1.177 0.00 0.00 -0.272 N ATOM 21 H LIG 1 1.230 -2.264 0.175 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 0.277 -2.970 1.875 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -0.616 -3.655 1.402 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 0.498 -2.753 3.211 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 1.615 -1.863 3.288 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 -2.296 0.944 -1.825 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -3.376 0.136 -1.187 0.00 0.00 +0.051 A ATOM 28 N LIG 1 -3.398 -1.248 -1.134 0.00 0.00 -0.302 N ATOM 29 C LIG 1 -4.542 -1.603 -0.420 0.00 0.00 +0.138 A ATOM 30 C LIG 1 -4.771 -2.990 -0.194 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -3.906 -3.900 -0.683 0.00 0.00 +0.025 A ATOM 32 C LIG 1 -2.740 -3.494 -1.448 0.00 0.00 +0.058 A ATOM 33 CL LIG 1 -1.685 -4.698 -2.072 0.00 0.00 -0.082 Cl ATOM 34 N LIG 1 -5.245 -0.548 -0.074 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 -2.509 -2.188 -1.656 0.00 0.00 +0.113 A ATOM 36 C LIG 1 -4.535 0.521 -0.542 0.00 0.00 +0.067 A BRANCH 36 37 ATOM 37 C LIG 1 -5.002 1.988 -0.357 0.00 0.00 +0.040 C ATOM 38 C LIG 1 -5.943 2.324 0.770 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -4.510 2.763 0.838 0.00 0.00 +0.010 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4