REMARK Name = BDB025314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.074 -0.263 -0.308 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.709 0.954 -0.380 0.00 0.00 +0.144 A ATOM 3 C LIG 1 -2.079 0.731 -0.310 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.923 1.853 -0.385 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.329 3.108 -0.522 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -0.945 3.184 -0.569 0.00 0.00 +0.132 A ATOM 7 CL LIG 1 -0.170 4.711 -0.724 0.00 0.00 -0.062 Cl ATOM 8 C LIG 1 -2.268 -0.676 -0.163 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.412 -1.491 -0.030 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -3.264 -2.874 0.111 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -1.999 -3.451 0.121 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -0.848 -2.667 -0.010 0.00 0.00 +0.026 A ATOM 13 N LIG 1 -0.086 2.145 -0.496 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -1.002 -1.277 -0.153 0.00 0.00 +0.052 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.216 1.122 -0.479 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.053 0.740 -0.388 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.171 0.892 -1.427 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.558 1.305 -2.265 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 1.979 0.227 -1.597 0.00 0.00 +0.242 C ATOM 20 O LIG 1 1.505 0.095 -2.724 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.378 -0.424 -0.354 0.00 0.00 +0.176 C ATOM 22 C LIG 1 2.038 0.082 0.932 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.549 -0.019 0.815 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1