REMARK Name = BDB025340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.046 0.319 -0.176 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.897 1.393 -0.290 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -2.173 0.908 -0.549 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.203 1.850 -0.716 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.875 3.201 -0.606 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -1.561 3.550 -0.334 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -2.087 -0.515 -0.566 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.039 -1.540 -0.763 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -2.640 -2.879 -0.708 0.00 0.00 +0.021 A ATOM 10 C LIG 1 -1.312 -3.202 -0.460 0.00 0.00 +0.043 A ATOM 11 CL LIG 1 -0.841 -4.858 -0.392 0.00 0.00 -0.083 Cl ATOM 12 C LIG 1 -0.345 -2.211 -0.262 0.00 0.00 +0.046 A ATOM 13 N LIG 1 -0.534 2.687 -0.162 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -0.752 -0.865 -0.319 0.00 0.00 +0.053 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.167 -0.817 1.169 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.022 -0.470 0.896 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.486 -0.709 -0.344 0.00 0.00 -0.255 N ATOM 18 H LIG 1 4.092 -1.180 -1.003 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 2.276 -0.279 -0.846 0.00 0.00 +0.242 C ATOM 20 O LIG 1 2.012 -0.462 -2.032 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.377 0.469 0.128 0.00 0.00 +0.176 C ATOM 22 C LIG 1 1.682 0.083 1.577 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.158 0.301 1.865 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1