REMARK Name = BDB007168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.099 -1.574 -0.938 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -3.343 -0.818 -2.095 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.471 0.229 -2.407 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -1.359 0.497 -1.592 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.386 1.593 -1.921 0.00 0.00 +0.132 C ATOM 6 C LIG 1 1.048 1.244 -1.545 0.00 0.00 +0.225 C ATOM 7 N LIG 1 1.230 0.381 -0.446 0.00 0.00 -0.260 N ATOM 8 C LIG 1 0.079 0.098 0.441 0.00 0.00 +0.144 C ATOM 9 O LIG 1 1.982 1.811 -2.122 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -1.123 -0.261 -0.439 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -1.983 -1.321 -0.137 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.257 1.178 1.506 0.00 0.00 -0.001 A ATOM 13 C LIG 1 0.392 2.429 1.697 0.00 0.00 +0.041 A ATOM 14 C LIG 1 -0.108 3.331 2.653 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -1.195 3.002 3.458 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -1.774 4.122 4.629 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -1.803 1.766 3.334 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.337 0.868 2.375 0.00 0.00 +0.009 A BRANCH 13 19 ATOM 19 N LIG 1 1.541 2.757 0.953 0.00 0.00 -0.269 N ATOM 20 H LIG 1 1.981 2.012 0.438 0.00 0.00 +0.156 HD ATOM 21 C LIG 1 2.289 3.912 0.924 0.00 0.00 +0.304 C ATOM 22 N LIG 1 3.286 3.804 -0.030 0.00 0.00 -0.302 N ATOM 23 H LIG 1 3.060 3.229 -0.836 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 4.159 4.925 -0.277 0.00 0.00 +0.129 C ATOM 25 O LIG 1 2.138 4.909 1.615 0.00 0.00 -0.253 OA ENDBRANCH 13 19 ENDBRANCH 8 12 BRANCH 7 26 ATOM 26 C LIG 1 2.503 -0.239 -0.166 0.00 0.00 +0.037 A ATOM 27 C LIG 1 2.845 -0.670 1.119 0.00 0.00 +0.025 A ATOM 28 C LIG 1 4.093 -1.264 1.383 0.00 0.00 +0.025 A ATOM 29 C LIG 1 5.064 -1.453 0.389 0.00 0.00 +0.029 A ATOM 30 C LIG 1 4.694 -1.035 -0.897 0.00 0.00 +0.025 A ATOM 31 C LIG 1 3.451 -0.437 -1.169 0.00 0.00 +0.025 A BRANCH 29 32 ATOM 32 N LIG 1 6.298 -2.055 0.656 0.00 0.00 -0.336 N ATOM 33 C LIG 1 6.757 -2.139 2.043 0.00 0.00 +0.129 C ATOM 34 C LIG 1 7.356 -1.979 -0.351 0.00 0.00 +0.129 C ENDBRANCH 29 32 ENDBRANCH 7 26 BRANCH 2 35 ATOM 35 O LIG 1 -4.429 -1.180 -2.847 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -4.615 -0.523 -4.093 0.00 0.00 +0.277 C ENDBRANCH 2 35 BRANCH 1 37 ATOM 37 O LIG 1 -3.874 -2.643 -0.562 0.00 0.00 -0.485 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.209 -2.265 -0.171 0.00 0.00 +0.170 C ATOM 39 C LIG 1 -5.266 -2.296 1.357 0.00 0.00 +0.052 C BRANCH 38 41 ATOM 40 C LIG 1 -7.635 -2.961 -0.585 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -6.166 -3.282 -0.808 0.00 0.00 +0.041 C ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 8