REMARK Name = BDB060525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.495 -0.399 0.320 0.00 0.00 +0.101 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.729 -0.355 1.249 0.00 0.00 -0.034 A ATOM 3 C LIG 1 2.052 -0.360 0.778 0.00 0.00 +0.006 A ATOM 4 C LIG 1 3.130 -0.302 1.668 0.00 0.00 +0.020 A ATOM 5 C LIG 1 2.898 -0.234 3.038 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 4.226 -0.161 4.129 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 1.597 -0.221 3.530 0.00 0.00 +0.020 A ATOM 8 C LIG 1 0.520 -0.279 2.641 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 9 C LIG 1 0.238 -0.516 -2.167 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -0.295 -1.119 -1.019 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.660 -2.479 -1.109 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -0.514 -3.194 -2.300 0.00 0.00 +0.001 A ATOM 13 C LIG 1 0.005 -2.566 -3.427 0.00 0.00 +0.004 A ATOM 14 C LIG 1 0.384 -1.228 -3.362 0.00 0.00 +0.046 A BRANCH 9 15 ATOM 15 O LIG 1 0.659 0.782 -2.121 0.00 0.00 -0.506 OA ATOM 16 H LIG 1 0.799 1.095 -3.030 0.00 0.00 +0.292 HD ENDBRANCH 9 15 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -1.279 0.917 0.234 0.00 0.00 +0.053 A ATOM 18 N LIG 1 -2.639 0.816 0.230 0.00 0.00 -0.259 NA ATOM 19 C LIG 1 -3.356 1.959 0.168 0.00 0.00 +0.111 A ATOM 20 C LIG 1 -2.793 3.221 0.119 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.409 3.319 0.131 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -0.641 2.159 0.190 0.00 0.00 +0.024 A ENDBRANCH 1 17 TORSDOF 4