REMARK Name = BDB031482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.158 -1.237 1.517 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.928 -0.268 0.744 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -2.157 0.418 -0.169 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -2.505 1.276 -0.956 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -0.781 -0.074 -0.032 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.348 0.312 -0.736 0.00 0.00 +0.020 A ATOM 7 C LIG 1 1.571 -0.310 -0.433 0.00 0.00 -0.016 A ATOM 8 C LIG 1 1.576 -1.327 0.565 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.421 -1.698 1.265 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -0.763 -1.054 0.957 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.664 -2.672 1.273 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.015 -3.516 2.344 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -3.469 -4.820 2.119 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.577 -5.301 0.819 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -4.132 -6.905 0.542 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -3.239 -4.490 -0.260 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.787 -3.187 -0.035 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -1.616 0.264 3.356 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -2.244 -0.927 2.908 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 2.879 0.030 -1.174 0.00 0.00 +0.088 C ATOM 21 C LIG 1 3.102 -1.019 -2.266 0.00 0.00 +0.046 C BRANCH 20 22 ATOM 22 O LIG 1 3.947 -0.103 -0.228 0.00 0.00 -0.384 OA ATOM 23 H LIG 1 3.699 0.413 0.560 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 2.920 1.488 -1.717 0.00 0.00 +0.043 C BRANCH 24 25 ATOM 25 C LIG 1 4.178 2.019 -2.451 0.00 0.00 -0.004 C ATOM 26 C LIG 1 4.177 1.696 -3.958 0.00 0.00 +0.032 C ATOM 27 C LIG 1 5.587 1.645 -4.539 0.00 0.00 +0.160 C ATOM 28 O LIG 1 6.395 2.647 -3.935 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 6.676 2.373 -2.561 0.00 0.00 +0.160 C ATOM 30 C LIG 1 5.529 1.674 -1.825 0.00 0.00 +0.032 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 31 ATOM 31 C LIG 1 -4.357 -0.065 0.917 0.00 0.00 +0.166 C BRANCH 31 32 ATOM 32 C LIG 1 -4.699 1.038 1.896 0.00 0.00 +0.059 A ATOM 33 N LIG 1 -5.165 0.669 3.118 0.00 0.00 -0.257 NA ATOM 34 C LIG 1 -5.457 1.657 4.000 0.00 0.00 +0.131 A ATOM 35 C LIG 1 -5.305 3.005 3.725 0.00 0.00 +0.059 A ATOM 36 CL LIG 1 -5.694 4.196 4.897 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 -4.832 3.371 2.473 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -4.524 2.377 1.544 0.00 0.00 +0.026 A ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8