REMARK Name = BDB051509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.282 0.004 0.064 0.00 0.00 +0.128 A ATOM 2 C LIG 1 0.005 -0.613 0.100 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -1.161 0.161 -0.158 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.420 -0.484 -0.078 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.538 -1.841 0.226 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.399 -2.594 0.462 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.015 1.535 -0.485 0.00 0.00 +0.033 A ATOM 8 C LIG 1 0.250 2.127 -0.448 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.146 -1.986 0.400 0.00 0.00 +0.012 A ATOM 10 C LIG 1 1.392 1.371 -0.197 0.00 0.00 +0.048 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -2.117 2.410 -0.637 0.00 0.00 -0.357 N ATOM 12 H LIG 1 -2.930 1.943 -1.026 0.00 0.00 +0.142 HD ATOM 13 H LIG 1 -2.360 2.817 0.265 0.00 0.00 +0.142 HD ENDBRANCH 7 11 BRANCH 1 15 ATOM 14 C LIG 1 3.660 -0.248 0.199 0.00 0.00 +0.277 C ATOM 15 O LIG 1 2.360 -0.812 0.319 0.00 0.00 -0.495 OA ENDBRANCH 1 15 TORSDOF 2