REMARK Name = BDB002515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.861 1.147 -0.638 0.00 0.00 +0.110 A ATOM 2 C LIG 1 1.968 0.422 0.123 0.00 0.00 +0.132 A ATOM 3 N LIG 1 1.333 -0.421 -0.770 0.00 0.00 -0.245 N ATOM 4 N LIG 1 1.747 -0.251 -2.050 0.00 0.00 -0.176 NA ATOM 5 C LIG 1 2.679 0.700 -1.958 0.00 0.00 +0.155 A ENDROOT BRANCH 2 6 ATOM 6 N LIG 1 1.698 0.439 1.453 0.00 0.00 -0.342 N ATOM 7 H LIG 1 0.781 0.150 1.793 0.00 0.00 +0.144 HD ATOM 8 H LIG 1 2.068 1.200 2.024 0.00 0.00 +0.144 HD ENDBRANCH 2 6 BRANCH 1 10 ATOM 9 N LIG 1 4.504 2.967 0.176 0.00 0.00 -0.191 NA ATOM 10 C LIG 1 3.768 2.146 -0.189 0.00 0.00 +0.104 C ENDBRANCH 1 10 BRANCH 3 11 ATOM 11 C LIG 1 0.370 -1.476 -0.471 0.00 0.00 +0.180 C BRANCH 11 12 ATOM 12 C LIG 1 -1.000 -0.932 -0.139 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -1.630 -1.288 1.065 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.902 -0.799 1.371 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.558 0.041 0.474 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.124 0.642 0.854 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.954 0.393 -0.731 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.682 -0.096 -1.038 0.00 0.00 +0.007 A ENDBRANCH 11 12 ENDBRANCH 3 11 TORSDOF 4