REMARK Name = BDB007200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.175 0.791 -0.563 0.00 0.00 +0.163 A ATOM 2 C LIG 1 3.554 -0.150 -1.532 0.00 0.00 +0.162 A ATOM 3 C LIG 1 2.652 -1.164 -1.868 0.00 0.00 +0.053 A ATOM 4 C LIG 1 1.381 -1.216 -1.272 0.00 0.00 -0.030 A ATOM 5 C LIG 1 0.395 -2.294 -1.617 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.058 -1.837 -1.564 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -1.373 -0.807 -0.659 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -0.363 -0.388 0.340 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -1.881 -2.439 -2.259 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 1.007 -0.268 -0.315 0.00 0.00 -0.015 A ATOM 11 C LIG 1 1.906 0.751 0.019 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.335 -1.254 1.610 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.030 -2.472 1.723 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.981 -3.225 2.901 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.240 -2.771 3.986 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.181 -3.698 5.433 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.448 -1.566 3.907 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.398 -0.812 2.730 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -2.696 -0.231 -0.601 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -3.188 0.381 0.560 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -4.473 0.948 0.603 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -5.319 0.914 -0.509 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -4.822 0.338 -1.678 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -3.537 -0.227 -1.720 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 -6.616 1.510 -0.457 0.00 0.00 -0.275 N ATOM 26 C LIG 1 -7.755 1.051 -1.121 0.00 0.00 +0.216 C ATOM 27 O LIG 1 -8.780 1.732 -1.225 0.00 0.00 -0.276 OA ATOM 28 C LIG 1 -7.769 -0.359 -1.664 0.00 0.00 +0.109 C ATOM 29 C LIG 1 -6.770 2.709 0.363 0.00 0.00 +0.138 C ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 30 ATOM 30 O LIG 1 4.798 0.002 -2.084 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 5.139 -0.838 -3.178 0.00 0.00 +0.277 C ENDBRANCH 2 30 BRANCH 1 32 ATOM 32 O LIG 1 3.975 1.840 -0.185 0.00 0.00 -0.485 OA BRANCH 32 33 ATOM 33 C LIG 1 5.152 1.420 0.533 0.00 0.00 +0.170 C ATOM 34 C LIG 1 4.921 1.725 2.013 0.00 0.00 +0.052 C BRANCH 33 36 ATOM 35 C LIG 1 7.680 1.806 0.539 0.00 0.00 +0.007 C ATOM 36 C LIG 1 6.335 2.211 -0.043 0.00 0.00 +0.041 C ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 7