REMARK Name = BDB057119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.949 -2.849 -0.026 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -2.381 -1.401 0.011 0.00 0.00 -0.006 A ATOM 3 C LIG 1 -1.420 -0.376 0.015 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.839 0.972 0.047 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.819 1.951 0.036 0.00 0.00 +0.070 A ATOM 6 C LIG 1 0.529 1.590 0.045 0.00 0.00 +0.044 A ATOM 7 C LIG 1 0.854 0.250 0.029 0.00 0.00 +0.072 A ATOM 8 C LIG 1 -3.223 1.258 0.110 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.169 0.239 0.117 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -0.112 -0.700 -0.003 0.00 0.00 -0.246 NA ATOM 11 C LIG 1 -3.750 -1.084 0.066 0.00 0.00 +0.046 A ATOM 12 CL LIG 1 -4.973 -2.306 0.084 0.00 0.00 -0.083 Cl ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 2.246 -0.248 0.030 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.572 -1.464 -0.602 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.883 -1.951 -0.618 0.00 0.00 +0.001 A ATOM 16 C LIG 1 4.900 -1.234 0.003 0.00 0.00 +0.000 A ATOM 17 C LIG 1 4.606 -0.034 0.643 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.293 0.451 0.658 0.00 0.00 +0.010 A ENDBRANCH 7 13 BRANCH 5 19 ATOM 19 C LIG 1 -1.074 3.405 0.032 0.00 0.00 +0.338 C ATOM 20 O LIG 1 -0.474 4.229 0.696 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 -1.984 3.764 -0.888 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 -1.997 4.744 -0.848 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 5 19 TORSDOF 3