REMARK Name = BDB018847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.686 0.169 -3.284 0.00 0.00 +0.141 C ATOM 2 N LIG 1 -0.922 0.108 -1.845 0.00 0.00 -0.242 N ATOM 3 C LIG 1 -2.253 0.006 -1.432 0.00 0.00 +0.243 C ATOM 4 O LIG 1 -3.141 -0.298 -2.242 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.151 -0.046 -0.973 0.00 0.00 +0.227 A ATOM 6 O LIG 1 -0.050 -0.446 0.308 0.00 0.00 -0.339 OA ATOM 7 N LIG 1 1.150 -0.562 0.967 0.00 0.00 -0.076 NA ATOM 8 C LIG 1 2.108 -0.255 0.077 0.00 0.00 +0.115 A ATOM 9 C LIG 1 1.508 0.065 -1.173 0.00 0.00 +0.097 A BRANCH 8 10 ATOM 10 C LIG 1 3.531 -0.281 0.431 0.00 0.00 +0.004 A ATOM 11 C LIG 1 3.948 -0.797 1.669 0.00 0.00 +0.010 A ATOM 12 C LIG 1 5.302 -0.829 2.014 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.259 -0.343 1.127 0.00 0.00 +0.000 A ATOM 14 C LIG 1 5.863 0.175 -0.103 0.00 0.00 +0.001 A ATOM 15 C LIG 1 4.508 0.206 -0.450 0.00 0.00 +0.010 A ENDBRANCH 8 10 ENDBRANCH 2 5 BRANCH 3 16 ATOM 16 C LIG 1 -2.643 0.344 0.022 0.00 0.00 +0.170 C ATOM 17 N LIG 1 -3.873 1.225 0.057 0.00 0.00 -0.258 N ATOM 18 C LIG 1 -4.970 0.474 0.704 0.00 0.00 +0.117 C ATOM 19 C LIG 1 -4.247 -0.502 1.614 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -3.053 -0.925 0.779 0.00 0.00 +0.034 C BRANCH 17 21 ATOM 21 C LIG 1 -4.037 2.320 -0.694 0.00 0.00 +0.170 C ATOM 22 N LIG 1 -4.156 3.278 -1.332 0.00 0.00 -0.174 NA ENDBRANCH 17 21 ENDBRANCH 3 16 TORSDOF 4