REMARK Name = BDB007468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.111 1.405 0.233 0.00 0.00 -0.265 OA ATOM 2 C LIG 1 0.034 0.196 0.092 0.00 0.00 +0.281 A ATOM 3 N LIG 1 -1.074 -0.623 -0.137 0.00 0.00 -0.201 N ATOM 4 N LIG 1 -0.662 -1.965 -0.246 0.00 0.00 -0.295 N ATOM 5 H LIG 1 -1.138 -2.574 0.423 0.00 0.00 +0.187 HD ATOM 6 C LIG 1 0.698 -1.947 -0.033 0.00 0.00 +0.116 A ATOM 7 C LIG 1 1.224 -0.725 0.150 0.00 0.00 +0.067 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.412 -0.229 -0.335 0.00 0.00 +0.156 A ATOM 9 N LIG 1 -2.750 1.065 -0.141 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -4.037 1.430 -0.326 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -5.038 0.554 -0.700 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -4.694 -0.774 -0.900 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -3.369 -1.171 -0.716 0.00 0.00 +0.048 A ENDBRANCH 3 8 BRANCH 7 14 ATOM 14 C LIG 1 2.621 -0.363 0.383 0.00 0.00 +0.007 A ATOM 15 C LIG 1 3.535 -1.266 0.928 0.00 0.00 +0.119 A ATOM 16 N LIG 1 4.843 -1.001 1.170 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 5.273 0.239 0.860 0.00 0.00 +0.111 A ATOM 18 C LIG 1 4.458 1.217 0.320 0.00 0.00 +0.020 A ATOM 19 C LIG 1 3.119 0.908 0.081 0.00 0.00 +0.012 A ENDBRANCH 7 14 TORSDOF 2