REMARK Name = BDB019790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.325 0.026 -1.526 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.008 1.294 -1.145 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.276 1.532 -0.794 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -2.256 0.540 -0.836 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.916 -0.755 -1.249 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.587 -1.017 -1.589 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.575 2.909 -0.364 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.901 3.529 0.719 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.173 2.818 1.503 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.215 4.855 1.066 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.192 5.551 0.366 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.482 6.812 0.713 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.870 4.961 -0.689 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.561 3.649 -1.052 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.547 0.921 -1.793 0.00 0.00 -0.306 N ATOM 16 H LIG 1 2.086 1.751 -1.429 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.765 -0.210 -1.868 0.00 0.00 +0.263 C ATOM 18 O LIG 1 2.181 -1.323 -2.167 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 3.985 0.881 -1.851 0.00 0.00 +0.140 C BRANCH 19 26 ATOM 20 C LIG 1 5.281 -1.554 2.360 0.00 0.00 +0.045 C ATOM 21 C LIG 1 5.186 -0.263 1.596 0.00 0.00 -0.032 A ATOM 22 C LIG 1 5.588 0.960 2.152 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 6.224 1.060 3.755 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 5.479 2.144 1.418 0.00 0.00 +0.020 A ATOM 25 C LIG 1 4.969 2.123 0.119 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.570 0.913 -0.461 0.00 0.00 -0.030 A ATOM 27 C LIG 1 4.675 -0.271 0.288 0.00 0.00 +0.010 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.943 -1.857 -1.269 0.00 0.00 +0.138 C BRANCH 28 29 ATOM 29 N LIG 1 -2.901 -2.574 -0.019 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -2.734 -2.004 0.806 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.693 -3.645 0.266 0.00 0.00 +0.090 C ATOM 32 C LIG 1 -4.261 -4.543 -0.797 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -4.596 -5.746 0.050 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -4.890 -5.123 1.401 0.00 0.00 +0.143 C ATOM 35 N LIG 1 -4.020 -3.934 1.490 0.00 0.00 -0.273 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7