REMARK Name = BDB056599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.617 -0.226 0.067 0.00 0.00 +0.050 A ATOM 2 N LIG 1 1.641 -1.175 -0.083 0.00 0.00 -0.354 N ATOM 3 H LIG 1 1.805 -2.146 -0.308 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 0.401 -0.615 0.117 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.596 0.735 0.397 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.527 1.529 0.632 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -1.774 0.993 0.589 0.00 0.00 -0.239 NA ATOM 8 C LIG 1 -1.948 -0.320 0.326 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -0.874 -1.179 0.072 0.00 0.00 +0.070 A ATOM 10 C LIG 1 2.000 0.969 0.365 0.00 0.00 +0.037 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.632 0.336 -0.109 0.00 0.00 +0.172 C ATOM 12 N LIG 1 6.299 -0.214 -0.150 0.00 0.00 -0.274 N ATOM 13 N LIG 1 6.130 -1.522 -0.426 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 4.804 -1.681 -0.383 0.00 0.00 +0.144 A ATOM 15 C LIG 1 4.132 -0.482 -0.080 0.00 0.00 +0.036 A ATOM 16 C LIG 1 5.128 0.453 0.066 0.00 0.00 +0.118 A ENDBRANCH 1 15 BRANCH 8 17 ATOM 17 N LIG 1 -3.245 -0.886 0.277 0.00 0.00 -0.298 N ATOM 18 H LIG 1 -3.268 -1.739 0.830 0.00 0.00 +0.154 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.499 -0.229 0.335 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -5.630 -0.902 0.842 0.00 0.00 +0.062 A ATOM 21 CL LIG 1 -5.485 -2.506 1.482 0.00 0.00 -0.082 Cl ATOM 22 C LIG 1 -6.892 -0.299 0.857 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -7.052 0.986 0.345 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -5.954 1.659 -0.186 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -4.694 1.052 -0.200 0.00 0.00 +0.025 A ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3