REMARK Name = BDB011615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.742 -1.370 -1.765 0.00 0.00 +0.171 A ATOM 2 C LIG 1 2.476 -0.534 -0.924 0.00 0.00 +0.077 A ATOM 3 C LIG 1 2.110 0.804 -0.400 0.00 0.00 +0.058 C ATOM 4 C LIG 1 3.280 1.741 -0.208 0.00 0.00 +0.011 C ATOM 5 C LIG 1 4.061 1.366 1.036 0.00 0.00 +0.038 C ATOM 6 C LIG 1 5.007 0.205 0.883 0.00 0.00 -0.018 A ATOM 7 C LIG 1 4.820 -0.944 0.098 0.00 0.00 +0.071 A ATOM 8 C LIG 1 5.843 -1.925 0.097 0.00 0.00 +0.032 A ATOM 9 C LIG 1 7.009 -1.796 0.861 0.00 0.00 +0.048 A ATOM 10 C LIG 1 7.187 -0.679 1.658 0.00 0.00 +0.130 A ATOM 11 C LIG 1 6.189 0.299 1.663 0.00 0.00 +0.051 A ATOM 12 N LIG 1 3.666 -1.223 -0.704 0.00 0.00 -0.216 N ATOM 13 N LIG 1 3.633 -2.377 -1.426 0.00 0.00 -0.060 NA ATOM 14 N LIG 1 2.491 -2.462 -2.079 0.00 0.00 -0.124 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -0.511 -0.687 -1.413 0.00 0.00 -0.274 N ATOM 16 H LIG 1 -0.165 -0.446 -0.490 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 0.396 -1.196 -2.317 0.00 0.00 +0.270 C ATOM 18 O LIG 1 0.146 -1.480 -3.482 0.00 0.00 -0.268 OA BRANCH 15 26 ATOM 19 C LIG 1 -2.678 -1.478 -3.725 0.00 0.00 +0.067 C ATOM 20 C LIG 1 -2.775 -0.617 -2.506 0.00 0.00 +0.059 A ATOM 21 N LIG 1 -4.007 -0.016 -2.183 0.00 0.00 -0.287 N ATOM 22 C LIG 1 -4.740 0.736 -3.209 0.00 0.00 +0.170 C ATOM 23 N LIG 1 -3.806 0.698 -0.964 0.00 0.00 -0.245 N ATOM 24 C LIG 1 -2.511 0.431 -0.524 0.00 0.00 +0.289 A ATOM 25 O LIG 1 -1.968 0.719 0.533 0.00 0.00 -0.264 OA ATOM 26 C LIG 1 -1.830 -0.372 -1.584 0.00 0.00 +0.121 A BRANCH 23 27 ATOM 27 C LIG 1 -4.936 0.843 -0.044 0.00 0.00 +0.109 C ATOM 28 C LIG 1 -5.146 -0.407 0.826 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -6.340 -0.241 1.764 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -6.220 1.019 2.616 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -6.009 2.262 1.757 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -4.809 2.104 0.825 0.00 0.00 +0.027 C ENDBRANCH 23 27 ENDBRANCH 15 26 ENDBRANCH 1 17 BRANCH 10 33 ATOM 33 O LIG 1 8.253 -0.410 2.464 0.00 0.00 -0.406 OA BRANCH 33 34 ATOM 34 C LIG 1 9.303 -1.362 2.511 0.00 0.00 +0.575 C ATOM 35 F LIG 1 9.869 -1.523 1.296 0.00 0.00 -0.133 F ATOM 36 F LIG 1 10.253 -0.915 3.361 0.00 0.00 -0.133 F ATOM 37 F LIG 1 8.860 -2.553 2.965 0.00 0.00 -0.133 F ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 5