REMARK Name = LIG001051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.154 -0.749 -0.200 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.952 -0.079 -0.009 0.00 0.00 +0.073 A ATOM 3 C LIG 1 -0.573 -0.555 -0.137 0.00 0.00 +0.256 C ATOM 4 N LIG 1 0.240 0.515 0.118 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -0.485 1.630 0.443 0.00 0.00 +0.257 C ATOM 6 O LIG 1 -0.072 2.730 0.752 0.00 0.00 -0.269 OA ATOM 7 O LIG 1 -0.263 -1.695 -0.428 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -1.891 1.259 0.337 0.00 0.00 +0.086 A ATOM 9 C LIG 1 -3.033 1.997 0.530 0.00 0.00 +0.136 A ATOM 10 F LIG 1 -2.990 3.292 0.862 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -4.263 1.360 0.382 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -4.320 -0.006 0.038 0.00 0.00 +0.026 A ENDROOT BRANCH 4 13 ATOM 13 C LIG 1 1.690 0.458 0.237 0.00 0.00 +0.171 C ATOM 14 C LIG 1 2.061 -0.226 1.556 0.00 0.00 +0.240 C ATOM 15 O LIG 1 1.307 -0.303 2.524 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 3.347 -0.714 1.633 0.00 0.00 -0.255 N ATOM 17 H LIG 1 3.598 -1.158 2.506 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 4.268 -0.821 0.620 0.00 0.00 +0.219 C ATOM 19 O LIG 1 5.356 -1.358 0.807 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 3.896 -0.192 -0.703 0.00 0.00 +0.098 C ATOM 21 C LIG 1 2.391 -0.233 -0.929 0.00 0.00 +0.041 C ENDBRANCH 4 13 BRANCH 1 22 ATOM 22 N LIG 1 -3.225 -2.126 -0.393 0.00 0.00 -0.357 N ATOM 23 H LIG 1 -4.053 -2.471 -0.868 0.00 0.00 +0.142 HD ATOM 24 H LIG 1 -2.359 -2.552 -0.732 0.00 0.00 +0.142 HD ENDBRANCH 1 22 TORSDOF 2