REMARK Name = LIG000767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.267 -0.633 -0.718 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.427 -0.161 0.372 0.00 0.00 -0.300 N ATOM 3 H LIG 1 0.086 0.176 1.187 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.294 -1.205 -1.648 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.849 -0.413 0.544 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -2.236 -0.153 2.004 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -1.413 -0.080 2.916 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -3.580 -0.017 2.254 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -3.823 0.170 3.218 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.536 0.341 1.339 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -5.636 0.748 1.702 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.174 0.175 -0.118 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -2.702 0.474 -0.358 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 17 ATOM 14 C LIG 1 3.832 0.419 0.196 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.442 0.227 0.268 0.00 0.00 +0.156 A ATOM 16 F LIG 1 1.793 0.721 1.338 0.00 0.00 -0.203 F ATOM 17 C LIG 1 1.742 -0.437 -0.743 0.00 0.00 +0.074 A ATOM 18 C LIG 1 2.460 -0.948 -1.834 0.00 0.00 +0.016 A ATOM 19 C LIG 1 3.848 -0.810 -1.895 0.00 0.00 +0.003 A ATOM 20 C LIG 1 4.530 -0.145 -0.874 0.00 0.00 +0.025 A BRANCH 14 21 ATOM 21 N LIG 1 4.538 0.974 1.277 0.00 0.00 -0.356 N ATOM 22 H LIG 1 5.422 1.406 1.027 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 3.960 1.565 1.870 0.00 0.00 +0.142 HD ENDBRANCH 14 21 ENDBRANCH 1 17 TORSDOF 3