REMARK Name = BDB019786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.706 -0.521 -0.610 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.585 0.837 -0.612 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -0.590 1.362 -0.181 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.643 0.547 0.237 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.502 -0.849 0.232 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.295 -1.392 -0.205 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.669 2.830 -0.217 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -1.349 3.581 0.746 0.00 0.00 +0.225 A ATOM 9 F LIG 1 -1.944 2.946 1.770 0.00 0.00 -0.183 F ATOM 10 N LIG 1 -1.456 4.929 0.756 0.00 0.00 -0.190 NA ATOM 11 C LIG 1 -0.843 5.580 -0.246 0.00 0.00 +0.216 A ATOM 12 F LIG 1 -0.931 6.918 -0.263 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -0.132 4.957 -1.254 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -0.044 3.567 -1.236 0.00 0.00 +0.019 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 15 O LIG 1 2.244 -2.269 -1.108 0.00 0.00 -0.269 OA ATOM 16 C LIG 1 2.024 -1.065 -1.072 0.00 0.00 +0.263 C ATOM 17 N LIG 1 2.942 -0.099 -1.423 0.00 0.00 -0.306 N ATOM 18 H LIG 1 2.670 0.862 -1.237 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 4.314 -0.408 -1.733 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 5.188 -0.238 -0.516 0.00 0.00 -0.029 A ATOM 21 C LIG 1 5.282 -1.267 0.434 0.00 0.00 +0.026 A ATOM 22 C LIG 1 6.067 -1.111 1.582 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 6.128 -2.427 2.701 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 6.764 0.083 1.790 0.00 0.00 +0.059 A ATOM 25 CL LIG 1 7.754 0.350 3.181 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 6.670 1.115 0.852 0.00 0.00 +0.022 A ATOM 27 C LIG 1 5.883 0.958 -0.293 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 -2.638 -1.735 0.680 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -3.750 -1.586 -0.237 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -3.464 -1.688 -1.207 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.913 -2.245 -0.055 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -5.420 -2.311 1.202 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -5.330 -1.443 1.716 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -6.777 -2.804 1.081 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -6.768 -3.386 -0.337 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -5.588 -2.791 -1.024 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7