REMARK Name = BDB062324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.664 -0.221 0.821 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.766 0.013 2.200 0.00 0.00 +0.131 A ATOM 3 F LIG 1 0.275 0.519 2.880 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.934 -0.266 2.905 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.041 -0.786 2.239 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.989 -1.021 0.859 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.793 -0.751 0.168 0.00 0.00 +0.015 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 4.965 0.061 -1.148 0.00 0.00 +0.203 A ATOM 9 N LIG 1 4.265 -0.503 -0.112 0.00 0.00 -0.326 N ATOM 10 H LIG 1 4.680 -1.067 0.619 0.00 0.00 +0.169 HD ATOM 11 C LIG 1 2.946 -0.163 -0.251 0.00 0.00 +0.068 A ATOM 12 C LIG 1 2.917 0.616 -1.401 0.00 0.00 +0.091 A ATOM 13 C LIG 1 1.696 1.143 -1.835 0.00 0.00 +0.030 A ATOM 14 C LIG 1 0.539 0.860 -1.091 0.00 0.00 +0.011 A ATOM 15 C LIG 1 0.574 0.065 0.072 0.00 0.00 -0.013 A ATOM 16 C LIG 1 1.809 -0.459 0.506 0.00 0.00 +0.036 A ATOM 17 N LIG 1 4.174 0.743 -1.944 0.00 0.00 -0.214 NA BRANCH 8 19 ATOM 18 C LIG 1 7.113 -0.786 -0.485 0.00 0.00 +0.407 C ATOM 19 N LIG 1 6.314 -0.071 -1.326 0.00 0.00 -0.221 N ATOM 20 H LIG 1 6.727 0.391 -2.121 0.00 0.00 +0.161 HD ATOM 21 O LIG 1 6.745 -1.393 0.513 0.00 0.00 -0.226 OA BRANCH 18 22 ATOM 22 O LIG 1 8.395 -0.721 -0.927 0.00 0.00 -0.450 OA BRANCH 22 24 ATOM 23 C LIG 1 9.873 -0.556 0.985 0.00 0.00 +0.048 C ATOM 24 C LIG 1 9.368 -1.431 -0.146 0.00 0.00 +0.230 C ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 8 19 ENDBRANCH 1 15 BRANCH 6 25 ATOM 25 C LIG 1 -4.176 -1.607 0.126 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.485 -0.881 0.410 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.768 0.426 -0.238 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.977 1.043 0.078 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.320 2.277 -0.487 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.445 2.898 -1.376 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.234 2.287 -1.699 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.899 0.381 1.016 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -8.973 0.885 1.322 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.483 -0.827 1.519 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -8.107 -1.300 2.166 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -4.894 1.053 -1.134 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -6.311 -1.454 1.236 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 6