REMARK Name = BDB063479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.699 0.953 -0.531 0.00 0.00 +0.298 A ATOM 2 O LIG 1 0.213 2.137 -1.020 0.00 0.00 -0.329 OA ATOM 3 N LIG 1 -1.175 2.085 -0.914 0.00 0.00 -0.055 NA ATOM 4 C LIG 1 -1.407 0.879 -0.373 0.00 0.00 +0.204 A ATOM 5 N LIG 1 -0.266 0.151 -0.123 0.00 0.00 -0.184 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 4.995 -1.370 0.227 0.00 0.00 +0.174 C ATOM 7 N LIG 1 4.060 -0.349 -0.164 0.00 0.00 -0.254 N ATOM 8 N LIG 1 2.740 -0.535 -0.004 0.00 0.00 -0.145 NA ATOM 9 C LIG 1 2.240 0.620 -0.478 0.00 0.00 +0.239 A ATOM 10 N LIG 1 3.202 1.504 -0.922 0.00 0.00 -0.211 NA ATOM 11 C LIG 1 4.328 0.864 -0.710 0.00 0.00 +0.219 A ENDBRANCH 1 9 BRANCH 4 12 ATOM 12 C LIG 1 -2.731 0.366 -0.070 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -3.880 1.109 -0.326 0.00 0.00 +0.122 A ATOM 14 N LIG 1 -5.142 0.682 -0.064 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -5.266 -0.546 0.480 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -4.191 -1.368 0.775 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.907 -0.902 0.495 0.00 0.00 +0.014 A ENDBRANCH 4 12 TORSDOF 2