REMARK Name = LIG001290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.077 -0.166 0.855 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.212 -0.212 1.944 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -0.177 -0.158 1.764 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.744 -0.066 0.487 0.00 0.00 +0.038 A ATOM 5 C LIG 1 0.143 -0.015 -0.600 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.536 -0.065 -0.422 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.166 -0.020 0.290 0.00 0.00 -0.255 N ATOM 8 C LIG 1 -3.065 0.367 1.294 0.00 0.00 +0.313 C ATOM 9 O LIG 1 -2.788 0.791 2.412 0.00 0.00 -0.252 OA ATOM 10 N LIG 1 -4.392 0.321 0.931 0.00 0.00 -0.240 N ATOM 11 H LIG 1 -5.024 0.631 1.656 0.00 0.00 +0.159 HD ATOM 12 C LIG 1 -4.849 0.536 -0.340 0.00 0.00 +0.222 C ATOM 13 O LIG 1 -5.986 0.947 -0.555 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -3.849 0.329 -1.440 0.00 0.00 +0.115 C ATOM 15 C LIG 1 -2.752 -0.578 -0.927 0.00 0.00 +0.124 C ENDBRANCH 4 7 BRANCH 1 16 ATOM 16 O LIG 1 3.403 -0.228 1.172 0.00 0.00 -0.481 OA BRANCH 16 17 ATOM 17 C LIG 1 4.336 -0.130 0.107 0.00 0.00 +0.349 C BRANCH 17 19 ATOM 18 O LIG 1 6.108 -0.350 1.786 0.00 0.00 -0.247 OA ATOM 19 C LIG 1 5.770 -0.201 0.622 0.00 0.00 +0.343 C BRANCH 19 20 ATOM 20 O LIG 1 6.689 -0.084 -0.373 0.00 0.00 -0.478 OA ATOM 21 H LIG 1 6.313 0.035 -1.265 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 5