REMARK Name = BDB047802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.951 0.379 -0.690 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -1.675 1.390 -0.044 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -3.045 1.248 0.225 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.679 0.055 -0.167 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.981 -0.984 -0.807 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.613 -0.803 -1.058 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.797 2.315 0.905 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -4.527 2.051 2.077 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -5.242 3.064 2.725 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.235 4.355 2.206 0.00 0.00 +0.041 A ATOM 11 CL LIG 1 -6.113 5.602 3.002 0.00 0.00 -0.084 Cl ATOM 12 C LIG 1 -4.521 4.643 1.046 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.806 3.628 0.401 0.00 0.00 +0.010 A ENDBRANCH 3 7 BRANCH 5 14 ATOM 14 C LIG 1 -3.666 -2.228 -1.199 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -3.171 -3.482 -0.800 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -3.820 -4.664 -1.170 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -4.973 -4.606 -1.946 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -5.773 -6.059 -2.403 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -5.483 -3.377 -2.356 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -4.832 -2.196 -1.983 0.00 0.00 +0.010 A ENDBRANCH 5 14 BRANCH 1 21 ATOM 21 C LIG 1 0.525 0.536 -0.962 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 O LIG 1 1.233 -0.269 -0.023 0.00 0.00 -0.487 OA BRANCH 22 28 ATOM 23 C LIG 1 5.288 -2.178 1.807 0.00 0.00 +0.047 C ATOM 24 C LIG 1 4.630 -1.262 0.818 0.00 0.00 -0.005 A ATOM 25 C LIG 1 5.381 -0.506 -0.088 0.00 0.00 +0.124 A ATOM 26 C LIG 1 4.756 0.310 -1.030 0.00 0.00 +0.049 A ATOM 27 C LIG 1 3.363 0.424 -1.044 0.00 0.00 +0.049 A ATOM 28 C LIG 1 2.596 -0.291 -0.125 0.00 0.00 +0.121 A ATOM 29 C LIG 1 3.234 -1.129 0.798 0.00 0.00 +0.052 A BRANCH 25 30 ATOM 30 O LIG 1 6.747 -0.610 -0.099 0.00 0.00 -0.481 OA BRANCH 30 31 ATOM 31 C LIG 1 7.346 0.434 0.664 0.00 0.00 +0.349 C BRANCH 31 32 ATOM 32 C LIG 1 7.853 1.617 -0.159 0.00 0.00 +0.343 C ATOM 33 O LIG 1 7.781 1.726 -1.373 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 8.421 2.583 0.609 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 8.426 2.391 1.566 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 22 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9