REMARK Name = BDB060006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.166 -0.545 -0.295 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.174 -2.058 -0.477 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.141 -2.916 0.634 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.147 -4.300 0.463 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.192 -4.844 -0.819 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.236 -4.005 -1.931 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.230 -2.619 -1.763 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.110 -0.090 0.485 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.262 -0.263 -0.262 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.205 -0.740 -1.153 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.078 0.386 1.618 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.576 0.046 0.080 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.466 -0.300 -0.873 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.776 -0.038 -0.630 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.262 0.568 0.524 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.314 0.915 1.487 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.958 0.654 1.265 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.675 0.823 0.734 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.622 0.961 -0.261 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.810 1.203 0.368 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.094 1.421 -0.253 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.709 1.234 1.707 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.412 1.005 1.929 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.419 -0.119 0.364 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.198 -0.603 -0.084 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.641 1.330 0.276 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -4.107 3.263 0.996 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.990 1.736 0.919 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.188 1.131 0.195 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.967 0.158 0.841 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.061 -0.426 0.197 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.391 -0.045 -1.106 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.621 0.920 -1.760 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.526 1.502 -1.115 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -8.512 -0.643 -1.770 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -9.418 -1.126 -2.312 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9