REMARK Name = BDB018886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.304 0.666 -0.264 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.979 0.291 -0.080 0.00 0.00 -0.269 N ATOM 3 C LIG 1 0.136 0.885 -0.708 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.318 0.259 -0.297 0.00 0.00 -0.017 A ATOM 5 C LIG 1 2.568 0.668 -0.767 0.00 0.00 -0.013 A ATOM 6 C LIG 1 2.593 1.745 -1.668 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.409 2.372 -2.082 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.024 -0.867 0.646 0.00 0.00 +0.057 C ATOM 9 C LIG 1 0.171 1.941 -1.603 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -0.481 -0.710 0.878 0.00 0.00 +0.118 C ATOM 11 O LIG 1 -2.671 1.529 -1.066 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 3.812 0.016 -0.350 0.00 0.00 -0.016 A ATOM 13 C LIG 1 4.660 0.627 0.586 0.00 0.00 +0.028 A ATOM 14 C LIG 1 5.841 -0.000 0.981 0.00 0.00 +0.042 A ATOM 15 CL LIG 1 6.867 0.761 2.134 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 6.198 -1.239 0.452 0.00 0.00 +0.020 A ATOM 17 C LIG 1 5.366 -1.855 -0.481 0.00 0.00 +0.002 A ATOM 18 C LIG 1 4.182 -1.231 -0.879 0.00 0.00 +0.008 A ENDBRANCH 5 12 BRANCH 1 20 ATOM 19 N LIG 1 -4.589 0.669 0.853 0.00 0.00 -0.258 N ATOM 20 C LIG 1 -3.348 -0.119 0.548 0.00 0.00 +0.170 C ATOM 21 C LIG 1 -3.833 -1.323 -0.272 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -5.318 -1.411 0.029 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -5.729 0.046 0.146 0.00 0.00 +0.117 C BRANCH 19 25 ATOM 24 N LIG 1 -4.604 2.961 1.840 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 -4.595 1.907 1.362 0.00 0.00 +0.170 C ENDBRANCH 19 25 ENDBRANCH 1 20 TORSDOF 3