REMARK Name = BDB059114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.664 -0.958 0.452 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.227 -0.921 0.328 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.527 -2.134 0.533 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.875 -2.177 0.441 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.667 -1.047 0.150 0.00 0.00 -0.022 A ATOM 6 C LIG 1 3.193 -1.177 0.074 0.00 0.00 +0.017 C ATOM 7 C LIG 1 3.537 -2.155 -1.078 0.00 0.00 +0.021 C ATOM 8 C LIG 1 3.697 -1.758 1.424 0.00 0.00 +0.021 C ATOM 9 C LIG 1 3.934 0.146 -0.182 0.00 0.00 -0.020 A ATOM 10 C LIG 1 5.352 0.158 -0.215 0.00 0.00 +0.052 A ATOM 11 C LIG 1 6.068 1.335 -0.427 0.00 0.00 +0.139 A ATOM 12 C LIG 1 5.391 2.534 -0.612 0.00 0.00 +0.124 A ATOM 13 C LIG 1 3.990 2.549 -0.596 0.00 0.00 +0.150 A ATOM 14 CL LIG 1 6.261 4.011 -0.864 0.00 0.00 -0.076 Cl ATOM 15 C LIG 1 3.256 1.360 -0.395 0.00 0.00 +0.069 A ATOM 16 C LIG 1 1.772 1.370 -0.425 0.00 0.00 +0.201 C ATOM 17 O LIG 1 1.138 2.369 -0.755 0.00 0.00 -0.286 OA ATOM 18 C LIG 1 1.000 0.155 -0.075 0.00 0.00 +0.068 A ATOM 19 C LIG 1 -1.214 -3.320 0.830 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -2.594 -3.335 0.930 0.00 0.00 +0.118 A ATOM 21 C LIG 1 -0.418 0.215 0.012 0.00 0.00 +0.136 A ATOM 22 C LIG 1 -3.319 -2.173 0.747 0.00 0.00 +0.054 A ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 -4.189 0.480 -0.932 0.00 0.00 +0.131 A ATOM 24 C LIG 1 -3.536 0.230 0.295 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -3.778 1.115 1.375 0.00 0.00 -0.036 A ATOM 26 C LIG 1 -3.116 0.927 2.713 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -4.639 2.212 1.194 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -5.274 2.420 -0.025 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -5.066 1.557 -1.091 0.00 0.00 +0.091 A BRANCH 23 31 ATOM 30 C LIG 1 -3.163 0.147 -2.965 0.00 0.00 +0.277 C ATOM 31 O LIG 1 -4.040 -0.400 -1.980 0.00 0.00 -0.494 OA ENDBRANCH 23 31 BRANCH 28 32 ATOM 32 O LIG 1 -6.113 3.491 -0.130 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -6.454 3.526 -1.038 0.00 0.00 +0.292 HD ENDBRANCH 28 32 ENDBRANCH 1 24 BRANCH 13 34 ATOM 34 O LIG 1 3.345 3.749 -0.764 0.00 0.00 -0.504 OA ATOM 35 H LIG 1 4.013 4.445 -0.905 0.00 0.00 +0.292 HD ENDBRANCH 13 34 BRANCH 11 36 ATOM 36 O LIG 1 7.434 1.307 -0.448 0.00 0.00 -0.505 OA ATOM 37 H LIG 1 7.755 0.402 -0.302 0.00 0.00 +0.292 HD ENDBRANCH 11 36 BRANCH 20 38 ATOM 38 O LIG 1 -3.203 -4.521 1.214 0.00 0.00 -0.507 OA ATOM 39 H LIG 1 -4.165 -4.380 1.209 0.00 0.00 +0.292 HD ENDBRANCH 20 38 BRANCH 21 40 ATOM 40 O LIG 1 -1.070 1.408 -0.220 0.00 0.00 -0.505 OA ATOM 41 H LIG 1 -0.408 2.092 -0.471 0.00 0.00 +0.292 HD ENDBRANCH 21 40 TORSDOF 7