REMARK Name = BDB008058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.674 0.220 -0.574 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.581 -0.679 0.357 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.844 0.171 -0.474 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -1.801 0.976 -1.197 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -3.075 0.568 -0.804 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.253 1.138 -1.306 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -4.126 2.160 -2.247 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.877 2.591 -2.676 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -5.545 2.894 -2.890 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -1.711 2.006 -2.163 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -2.913 -0.443 0.104 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -3.667 -0.944 0.556 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 -1.131 -1.649 1.331 0.00 0.00 +0.356 C ATOM 14 O LIG 1 0.011 -1.760 1.750 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 -2.189 -2.407 1.738 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 -3.110 -4.188 3.036 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -1.849 -3.418 2.695 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 1.229 1.648 -0.823 0.00 0.00 +0.239 C ATOM 19 N LIG 1 1.043 2.517 0.241 0.00 0.00 -0.309 N ATOM 20 H LIG 1 0.446 2.200 0.997 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.783 1.972 -1.871 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 1.445 3.932 0.257 0.00 0.00 +0.026 C ATOM 23 C LIG 1 2.960 4.080 0.047 0.00 0.00 +0.031 C ATOM 24 C LIG 1 1.092 4.510 1.640 0.00 0.00 +0.031 C ATOM 25 C LIG 1 0.682 4.730 -0.812 0.00 0.00 +0.031 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 N LIG 1 1.182 -0.763 -1.546 0.00 0.00 -0.284 N ATOM 27 C LIG 1 0.697 -0.854 -2.836 0.00 0.00 +0.329 C ATOM 28 O LIG 1 1.141 -1.588 -3.711 0.00 0.00 -0.279 OA BRANCH 26 29 ATOM 29 C LIG 1 2.461 -1.401 -1.254 0.00 0.00 +0.146 C BRANCH 29 30 ATOM 30 C LIG 1 2.315 -2.601 -0.359 0.00 0.00 +0.011 A ATOM 31 C LIG 1 2.983 -2.658 0.868 0.00 0.00 +0.163 A ATOM 32 F LIG 1 3.755 -1.632 1.256 0.00 0.00 -0.202 F ATOM 33 C LIG 1 2.853 -3.769 1.699 0.00 0.00 +0.161 A ATOM 34 F LIG 1 3.498 -3.808 2.874 0.00 0.00 -0.202 F ATOM 35 C LIG 1 2.060 -4.846 1.326 0.00 0.00 +0.079 A ATOM 36 C LIG 1 1.399 -4.797 0.106 0.00 0.00 +0.127 A ATOM 37 F LIG 1 0.626 -5.826 -0.263 0.00 0.00 -0.205 F ATOM 38 C LIG 1 1.523 -3.696 -0.740 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9