REMARK Name = BDB059034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.222 0.045 0.654 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -0.519 -0.945 1.567 0.00 0.00 +0.181 A ATOM 3 F LIG 1 0.344 -1.378 2.495 0.00 0.00 -0.200 F ATOM 4 C LIG 1 -1.786 -1.459 1.514 0.00 0.00 +0.156 A ATOM 5 N LIG 1 -2.720 -1.044 0.636 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -2.378 -0.059 -0.211 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.153 0.497 -0.214 0.00 0.00 -0.196 NA ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -3.310 0.374 -1.129 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -3.134 1.678 -1.774 0.00 0.00 +0.136 C ATOM 10 C LIG 1 -4.407 2.525 -1.608 0.00 0.00 +0.179 C ATOM 11 O LIG 1 -5.590 1.911 -2.141 0.00 0.00 -0.377 OA ATOM 12 C LIG 1 -5.558 0.475 -2.102 0.00 0.00 +0.179 C ATOM 13 C LIG 1 -4.689 -0.093 -0.969 0.00 0.00 +0.136 C ENDBRANCH 6 8 BRANCH 1 14 ATOM 14 N LIG 1 1.015 0.698 0.580 0.00 0.00 -0.297 N ATOM 15 H LIG 1 0.941 1.428 -0.123 0.00 0.00 +0.154 HD BRANCH 14 20 ATOM 16 C LIG 1 5.039 -0.542 1.126 0.00 0.00 +0.138 A ATOM 17 C LIG 1 4.686 0.812 1.053 0.00 0.00 +0.084 A ATOM 18 CL LIG 1 5.875 2.063 1.193 0.00 0.00 -0.080 Cl ATOM 19 C LIG 1 3.353 1.197 0.866 0.00 0.00 +0.047 A ATOM 20 C LIG 1 2.336 0.243 0.743 0.00 0.00 +0.034 A ATOM 21 C LIG 1 2.693 -1.105 0.820 0.00 0.00 +0.027 A ATOM 22 C LIG 1 4.028 -1.497 1.006 0.00 0.00 +0.049 A BRANCH 16 24 ATOM 23 C LIG 1 6.734 -2.199 1.419 0.00 0.00 +0.277 C ATOM 24 O LIG 1 6.365 -0.831 1.308 0.00 0.00 -0.494 OA ENDBRANCH 16 24 ENDBRANCH 14 20 ENDBRANCH 1 14 TORSDOF 4