REMARK Name = BDB026977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.653 -1.638 -0.385 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.532 -3.157 -0.402 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.101 -3.879 0.723 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.004 -5.271 0.681 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.350 -5.961 -0.479 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.802 -5.262 -1.595 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.898 -3.869 -1.556 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.935 -1.262 0.272 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.783 -1.363 1.279 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.314 0.126 -0.021 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -4.581 0.478 2.184 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.651 0.522 0.652 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.103 1.895 0.167 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -6.254 2.007 -0.629 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.682 3.253 -1.093 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -5.961 4.398 -0.765 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -6.487 5.933 -1.337 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -4.816 4.308 0.021 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.388 3.061 0.485 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.444 -0.966 0.327 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.548 -0.572 1.495 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.819 -0.815 -0.410 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.015 -0.161 0.047 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.966 -0.258 -0.969 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.258 0.278 -0.858 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.607 0.941 0.330 0.00 0.00 -0.013 A ATOM 27 C LIG 1 3.667 1.051 1.361 0.00 0.00 +0.009 A ATOM 28 N LIG 1 2.381 -0.941 -2.007 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.844 -1.163 -2.878 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.380 0.507 1.234 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.093 -1.279 -1.685 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 5.929 1.522 0.494 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.093 1.028 -0.060 0.00 0.00 +0.116 A ATOM 34 N LIG 1 8.098 1.854 0.356 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.501 1.741 0.043 0.00 0.00 +0.172 C ATOM 36 N LIG 1 7.675 2.857 1.145 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 6.358 2.651 1.231 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8