REMARK Name = BDB031470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.240 -1.558 1.046 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.897 -0.547 0.224 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -2.021 0.109 -0.614 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -2.260 0.985 -1.423 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -0.685 -0.443 -0.362 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.516 -0.101 -0.956 0.00 0.00 +0.020 A ATOM 7 C LIG 1 1.679 -0.781 -0.549 0.00 0.00 -0.014 A ATOM 8 C LIG 1 1.565 -1.784 0.447 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.334 -2.113 1.033 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -0.794 -1.426 0.617 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.784 -2.966 0.727 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.311 -3.793 1.737 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -3.804 -5.068 1.444 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.777 -5.538 0.135 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -4.384 -7.106 -0.227 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -3.264 -4.742 -0.886 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.773 -3.466 -0.593 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -1.810 -0.112 2.955 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -2.444 -1.267 2.428 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 3.036 -0.435 -1.175 0.00 0.00 +0.101 C ATOM 21 C LIG 1 3.000 -0.746 -2.676 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 4.065 -1.267 -0.611 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 4.875 -0.718 -0.658 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 3.415 1.050 -0.840 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 4.852 1.376 -1.045 0.00 0.00 -0.297 NA ATOM 26 C LIG 1 5.163 1.650 -2.470 0.00 0.00 +0.099 C ATOM 27 C LIG 1 6.168 2.800 -2.707 0.00 0.00 +0.096 C ATOM 28 N LIG 1 5.739 4.085 -2.138 0.00 0.00 -0.314 NA ATOM 29 H LIG 1 5.118 4.562 -2.790 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 5.030 3.902 -0.861 0.00 0.00 +0.096 C ATOM 31 C LIG 1 5.261 2.526 -0.202 0.00 0.00 +0.099 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 32 ATOM 32 C LIG 1 -4.325 -0.282 0.277 0.00 0.00 +0.166 C BRANCH 32 33 ATOM 33 C LIG 1 -4.694 0.863 1.198 0.00 0.00 +0.059 A ATOM 34 N LIG 1 -5.214 0.548 2.413 0.00 0.00 -0.257 NA ATOM 35 C LIG 1 -5.528 1.573 3.243 0.00 0.00 +0.131 A ATOM 36 C LIG 1 -5.348 2.908 2.922 0.00 0.00 +0.059 A ATOM 37 CL LIG 1 -5.767 4.149 4.031 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 -4.817 3.219 1.678 0.00 0.00 +0.023 A ATOM 39 C LIG 1 -4.483 2.186 0.803 0.00 0.00 +0.026 A ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8