REMARK Name = BDB032357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.243 -1.498 2.304 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.464 -0.564 1.364 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -0.198 0.491 0.723 0.00 0.00 -0.009 A ATOM 4 C LIG 1 0.552 1.269 -0.152 0.00 0.00 +0.118 A ATOM 5 N LIG 1 1.874 1.104 -0.394 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 2.521 0.113 0.250 0.00 0.00 +0.122 A ATOM 7 C LIG 1 1.835 -0.738 1.120 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.897 -0.085 0.016 0.00 0.00 -0.306 N ATOM 9 C LIG 1 4.696 0.055 1.258 0.00 0.00 +0.182 C ATOM 10 C LIG 1 6.168 0.126 1.009 0.00 0.00 +0.151 A ATOM 11 N LIG 1 7.164 0.109 1.866 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 8.335 0.213 1.148 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 8.034 0.292 -0.137 0.00 0.00 +0.238 A ATOM 14 N LIG 1 6.672 0.254 -0.256 0.00 0.00 -0.305 N ATOM 15 C LIG 1 5.847 0.292 -1.445 0.00 0.00 +0.144 C ATOM 16 C LIG 1 4.413 0.722 -1.109 0.00 0.00 +0.128 C BRANCH 13 17 ATOM 17 C LIG 1 8.949 0.404 -1.296 0.00 0.00 +0.452 C ATOM 18 F LIG 1 10.259 0.275 -0.972 0.00 0.00 -0.163 F ATOM 19 F LIG 1 8.810 1.603 -1.923 0.00 0.00 -0.163 F ATOM 20 F LIG 1 8.680 -0.544 -2.235 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 6 8 BRANCH 3 21 ATOM 21 C LIG 1 -1.666 0.783 0.893 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.417 0.096 -0.148 0.00 0.00 -0.340 N ATOM 23 H LIG 1 -2.031 -0.821 -0.369 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.813 0.085 -0.108 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -4.498 -0.852 -0.898 0.00 0.00 +0.033 A ATOM 26 C LIG 1 -5.915 -0.909 -0.979 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -6.664 0.049 -0.260 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -8.074 -0.001 -0.350 0.00 0.00 +0.124 A ATOM 29 N LIG 1 -8.746 -0.923 -1.062 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 -8.009 -1.831 -1.736 0.00 0.00 +0.133 A ATOM 31 C LIG 1 -5.973 1.009 0.508 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.622 -1.866 -1.735 0.00 0.00 +0.067 A ATOM 33 CL LIG 1 -5.841 -3.100 -2.660 0.00 0.00 -0.081 Cl ATOM 34 C LIG 1 -4.575 1.034 0.568 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 -8.890 0.918 0.316 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -8.663 1.867 0.042 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -9.848 0.683 0.064 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6