REMARK Name = BDB021013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.732 4.174 -0.324 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -2.359 3.557 -0.404 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.257 2.190 -0.171 0.00 0.00 -0.294 N ATOM 4 C LIG 1 -0.897 1.644 -0.140 0.00 0.00 +0.163 C ATOM 5 C LIG 1 -0.891 0.157 -0.183 0.00 0.00 +0.064 A ATOM 6 N LIG 1 -2.043 -0.591 -0.159 0.00 0.00 -0.328 N ATOM 7 C LIG 1 -1.708 -1.912 -0.146 0.00 0.00 +0.114 A ATOM 8 N LIG 1 -0.404 -2.062 -0.146 0.00 0.00 -0.232 NA ATOM 9 C LIG 1 -3.368 -0.015 -0.130 0.00 0.00 +0.142 C ATOM 10 C LIG 1 0.121 -0.788 -0.188 0.00 0.00 +0.094 A ATOM 11 C LIG 1 -3.312 1.389 0.459 0.00 0.00 +0.129 C ATOM 12 O LIG 1 -1.383 4.255 -0.680 0.00 0.00 -0.276 OA ENDROOT BRANCH 10 13 ATOM 13 C LIG 1 1.553 -0.544 -0.165 0.00 0.00 +0.003 A ATOM 14 C LIG 1 2.146 0.429 -0.987 0.00 0.00 +0.021 A ATOM 15 C LIG 1 3.538 0.627 -0.925 0.00 0.00 +0.020 A ATOM 16 C LIG 1 4.470 1.473 -1.564 0.00 0.00 +0.143 A ATOM 17 N LIG 1 5.723 1.268 -1.153 0.00 0.00 -0.179 NA ATOM 18 N LIG 1 5.596 0.281 -0.242 0.00 0.00 -0.267 N ATOM 19 C LIG 1 6.772 -0.225 0.424 0.00 0.00 +0.173 C ATOM 20 C LIG 1 4.304 -0.151 -0.062 0.00 0.00 +0.069 A ATOM 21 C LIG 1 3.744 -1.142 0.753 0.00 0.00 +0.028 A ATOM 22 C LIG 1 2.357 -1.323 0.679 0.00 0.00 +0.012 A ENDBRANCH 10 13 BRANCH 7 23 ATOM 23 C LIG 1 -2.703 -3.107 -0.135 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -3.377 -3.485 1.158 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -2.313 -4.372 0.583 0.00 0.00 +0.012 C ENDBRANCH 7 23 TORSDOF 2