REMARK Name = BDB001760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.982 -2.198 0.672 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.013 -1.254 0.343 0.00 0.00 -0.162 N ATOM 3 C LIG 1 -1.389 -1.378 0.388 0.00 0.00 +0.281 C ATOM 4 O LIG 1 -1.845 -2.464 0.756 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 0.619 -0.112 -0.071 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 1.915 -0.412 0.067 0.00 0.00 +0.219 A ATOM 7 N LIG 1 2.173 -1.675 0.529 0.00 0.00 -0.190 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.367 -0.312 0.024 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -2.114 1.052 0.213 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -3.081 2.003 -0.132 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -4.306 1.594 -0.656 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -5.491 2.767 -1.076 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -4.577 0.240 -0.833 0.00 0.00 +0.021 A ATOM 14 C LIG 1 -3.612 -0.712 -0.490 0.00 0.00 +0.015 A ENDBRANCH 3 8 BRANCH 6 15 ATOM 15 C LIG 1 3.054 0.604 -0.269 0.00 0.00 +0.173 A ATOM 16 O LIG 1 2.864 1.880 -0.725 0.00 0.00 -0.460 OA ATOM 17 C LIG 1 4.093 2.433 -0.894 0.00 0.00 +0.196 A ATOM 18 C LIG 1 5.077 1.536 -0.555 0.00 0.00 +0.042 A ATOM 19 C LIG 1 4.408 0.355 -0.151 0.00 0.00 +0.053 A ENDBRANCH 6 15 BRANCH 1 20 ATOM 20 N LIG 1 0.710 -3.453 1.074 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -0.243 -3.710 1.336 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 1.443 -3.990 1.526 0.00 0.00 +0.145 HD ENDBRANCH 1 20 TORSDOF 3