REMARK Name = BDB024418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.669 -1.905 0.273 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.441 -3.370 0.618 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.887 -3.757 1.850 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.684 -5.106 2.146 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.041 -6.085 1.222 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.608 -5.718 0.003 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.812 -4.370 -0.296 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.399 -1.053 0.571 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.587 -1.216 -0.379 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.458 -1.903 -1.111 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.325 -0.324 1.561 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.838 -0.608 -0.445 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.582 -1.034 -1.486 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.818 -0.498 -1.637 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.369 0.460 -0.793 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.574 0.883 0.273 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.295 0.347 0.450 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.722 0.982 -1.009 0.00 0.00 +0.008 A ATOM 19 C LIG 1 5.998 2.291 -1.019 0.00 0.00 +0.081 A ATOM 20 C LIG 1 7.370 2.789 -1.259 0.00 0.00 +0.268 A ATOM 21 O LIG 1 7.568 4.001 -1.226 0.00 0.00 -0.266 OA ATOM 22 N LIG 1 8.334 1.825 -1.512 0.00 0.00 -0.233 N ATOM 23 C LIG 1 9.713 2.214 -1.743 0.00 0.00 +0.176 C ATOM 24 N LIG 1 8.093 0.469 -1.487 0.00 0.00 -0.176 NA ATOM 25 C LIG 1 6.879 0.094 -1.251 0.00 0.00 +0.141 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.839 -1.389 1.018 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.520 -1.187 1.969 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.373 -0.157 0.424 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -5.726 -0.549 1.356 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.542 0.422 1.256 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.974 1.772 0.698 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.704 2.942 1.425 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.081 4.194 0.930 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.731 4.293 -0.303 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.001 3.136 -1.037 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.624 1.885 -0.541 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.118 5.576 -0.812 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.430 6.614 -1.227 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9