REMARK Name = BDB013655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.849 -0.074 -0.130 0.00 0.00 +0.150 A ATOM 2 C LIG 1 2.152 0.593 -0.367 0.00 0.00 +0.064 A ATOM 3 C LIG 1 3.313 -0.131 -0.132 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.572 0.449 -0.353 0.00 0.00 +0.014 A ATOM 5 C LIG 1 4.668 1.764 -0.809 0.00 0.00 +0.004 A ATOM 6 C LIG 1 3.506 2.497 -1.040 0.00 0.00 +0.039 A ATOM 7 C LIG 1 3.214 -1.514 0.362 0.00 0.00 +0.275 A ATOM 8 O LIG 1 4.244 -2.160 0.544 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 1.933 -1.991 0.599 0.00 0.00 -0.230 N ATOM 10 C LIG 1 1.740 -3.353 1.060 0.00 0.00 +0.176 C ATOM 11 C LIG 1 2.261 1.910 -0.818 0.00 0.00 +0.135 A ATOM 12 F LIG 1 1.168 2.657 -1.040 0.00 0.00 -0.205 F ATOM 13 N LIG 1 0.786 -1.293 0.328 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 -0.319 0.607 -0.408 0.00 0.00 -0.326 N ATOM 15 H LIG 1 -0.248 1.611 -0.558 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 -1.625 0.138 0.041 0.00 0.00 +0.118 C BRANCH 16 17 ATOM 17 C LIG 1 -2.748 1.006 -0.569 0.00 0.00 +0.102 C BRANCH 17 19 ATOM 18 C LIG 1 -4.539 -0.642 -0.702 0.00 0.00 +0.104 C ATOM 19 N LIG 1 -4.141 0.678 -0.220 0.00 0.00 -0.307 NA ATOM 20 C LIG 1 -4.410 0.814 1.209 0.00 0.00 +0.104 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 1 14 TORSDOF 4