REMARK Name = BDB007207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.972 0.043 -1.130 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -6.010 0.108 -2.531 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.823 0.354 -3.226 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.616 0.541 -2.532 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -2.326 0.804 -3.252 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.105 0.220 -2.550 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -1.162 0.122 -1.147 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -2.270 0.787 -0.423 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -0.121 -0.065 -3.237 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.592 0.522 -1.135 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -4.778 0.268 -0.436 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.033 2.281 -0.143 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -2.912 2.975 0.714 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.725 4.330 1.005 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.648 5.013 0.451 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.414 6.679 0.807 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.757 4.352 -0.388 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.946 2.997 -0.680 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -0.107 -0.504 -0.386 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.720 -1.478 -0.946 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.744 -2.099 -0.205 0.00 0.00 +0.025 A ATOM 22 C LIG 1 2.003 -1.786 1.135 0.00 0.00 +0.030 A ATOM 23 C LIG 1 1.157 -0.814 1.689 0.00 0.00 +0.025 A ATOM 24 C LIG 1 0.129 -0.190 0.956 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 3.022 -2.380 1.870 0.00 0.00 -0.333 N ATOM 26 C LIG 1 3.029 -2.254 3.327 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 4.075 -3.212 1.273 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 5.336 -2.431 0.851 0.00 0.00 +0.009 C ATOM 29 C LIG 1 5.091 -1.419 -0.278 0.00 0.00 +0.024 C ATOM 30 C LIG 1 6.389 -0.729 -0.688 0.00 0.00 +0.109 C ATOM 31 N LIG 1 7.057 -0.116 0.462 0.00 0.00 -0.285 N ATOM 32 C LIG 1 8.035 0.848 0.224 0.00 0.00 +0.304 C ATOM 33 N LIG 1 7.677 1.874 -0.645 0.00 0.00 -0.292 N ATOM 34 C LIG 1 6.353 2.479 -0.576 0.00 0.00 +0.133 C ATOM 35 C LIG 1 8.740 2.759 -1.083 0.00 0.00 +0.133 C ATOM 36 O LIG 1 9.143 0.796 0.750 0.00 0.00 -0.252 OA ATOM 37 C LIG 1 7.315 -1.032 1.566 0.00 0.00 +0.109 C ATOM 38 C LIG 1 6.037 -1.729 2.025 0.00 0.00 +0.024 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 39 ATOM 39 O LIG 1 -7.234 -0.098 -3.113 0.00 0.00 -0.491 OA ATOM 40 C LIG 1 -7.317 0.026 -4.524 0.00 0.00 +0.277 C ENDBRANCH 2 39 BRANCH 1 41 ATOM 41 O LIG 1 -7.149 -0.157 -0.455 0.00 0.00 -0.485 OA BRANCH 41 42 ATOM 42 C LIG 1 -7.132 -1.270 0.452 0.00 0.00 +0.170 C ATOM 43 C LIG 1 -8.126 -2.299 -0.079 0.00 0.00 +0.052 C BRANCH 42 45 ATOM 44 C LIG 1 -7.382 -1.752 2.948 0.00 0.00 +0.007 C ATOM 45 C LIG 1 -7.533 -0.734 1.832 0.00 0.00 +0.041 C ENDBRANCH 42 45 ENDBRANCH 41 42 ENDBRANCH 1 41 TORSDOF 9