REMARK Name = LIG000115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.239 0.238 -0.651 0.00 0.00 -0.222 N ATOM 2 C LIG 1 0.881 0.621 -1.343 0.00 0.00 +0.257 C ATOM 3 O LIG 1 0.943 1.186 -2.417 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 2.027 0.256 -0.518 0.00 0.00 +0.088 A ATOM 5 C LIG 1 1.540 -0.313 0.644 0.00 0.00 +0.052 A ATOM 6 C LIG 1 2.371 -0.771 1.651 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.751 -0.636 1.458 0.00 0.00 +0.049 A ATOM 8 C LIG 1 4.245 -0.053 0.276 0.00 0.00 +0.153 A ATOM 9 C LIG 1 3.378 0.400 -0.724 0.00 0.00 +0.177 A ATOM 10 F LIG 1 3.855 0.958 -1.844 0.00 0.00 -0.201 F ATOM 11 C LIG 1 0.083 -0.314 0.555 0.00 0.00 +0.255 C ATOM 12 O LIG 1 -0.652 -0.750 1.419 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 19 ATOM 13 O LIG 1 -4.857 -0.650 1.185 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -3.922 -0.277 0.482 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -3.495 -1.038 -0.575 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -3.934 -1.948 -0.632 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -2.295 -0.928 -1.232 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -1.808 -1.899 -1.809 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -1.592 0.426 -1.158 0.00 0.00 +0.171 C ATOM 20 C LIG 1 -2.405 1.503 -0.442 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -3.155 0.990 0.773 0.00 0.00 +0.098 C ENDBRANCH 1 19 BRANCH 8 22 ATOM 22 O LIG 1 5.591 0.083 0.086 0.00 0.00 -0.504 OA ATOM 23 H LIG 1 6.072 -0.289 0.843 0.00 0.00 +0.292 HD ENDBRANCH 8 22 TORSDOF 2