REMARK Name = BDB049183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.170 -0.744 0.117 0.00 0.00 +0.071 A ATOM 2 C LIG 1 1.997 -1.240 1.051 0.00 0.00 +0.129 A ATOM 3 CL LIG 1 1.360 -2.047 2.450 0.00 0.00 -0.076 Cl ATOM 4 C LIG 1 3.480 -1.116 0.963 0.00 0.00 +0.287 A ATOM 5 O LIG 1 4.212 -1.607 1.822 0.00 0.00 -0.265 OA ATOM 6 N LIG 1 3.957 -0.407 -0.135 0.00 0.00 -0.231 N ATOM 7 C LIG 1 5.386 -0.251 -0.334 0.00 0.00 +0.176 C ATOM 8 N LIG 1 3.158 0.068 -1.143 0.00 0.00 -0.175 NA ATOM 9 C LIG 1 1.883 -0.097 -1.015 0.00 0.00 +0.157 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -0.224 -0.815 0.132 0.00 0.00 -0.337 N ATOM 11 H LIG 1 -0.570 -1.174 1.025 0.00 0.00 +0.146 HD BRANCH 10 15 ATOM 12 C LIG 1 -4.694 0.340 0.489 0.00 0.00 +0.104 C ATOM 13 N LIG 1 -3.408 0.717 -0.080 0.00 0.00 -0.304 NA ATOM 14 C LIG 1 -2.601 -0.446 -0.466 0.00 0.00 +0.106 C ATOM 15 C LIG 1 -1.156 0.093 -0.537 0.00 0.00 +0.086 C ATOM 16 C LIG 1 -1.217 1.447 0.177 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -2.574 1.461 0.863 0.00 0.00 +0.086 C ENDBRANCH 10 15 ENDBRANCH 1 10 TORSDOF 2