REMARK Name = LIG000791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.465 -0.047 -0.092 0.00 0.00 -0.300 N ATOM 2 H LIG 1 -0.071 -0.896 -0.489 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 0.342 1.058 0.065 0.00 0.00 +0.245 C ATOM 4 O LIG 1 -0.101 2.192 0.203 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 O LIG 1 -5.752 -1.228 0.508 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -4.633 -0.786 0.262 0.00 0.00 +0.219 C ATOM 7 N LIG 1 -3.826 -1.391 -0.668 0.00 0.00 -0.255 N ATOM 8 H LIG 1 -4.188 -2.255 -1.049 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 -2.474 -1.200 -0.811 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -1.772 -2.022 -1.399 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 -1.910 0.094 -0.218 0.00 0.00 +0.160 C ATOM 12 C LIG 1 -2.582 0.360 1.125 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -4.087 0.455 0.928 0.00 0.00 +0.098 C ENDBRANCH 1 11 BRANCH 3 14 ATOM 14 C LIG 1 1.812 0.825 0.026 0.00 0.00 +0.039 A ATOM 15 C LIG 1 2.378 -0.407 0.375 0.00 0.00 +0.045 A ATOM 16 C LIG 1 3.773 -0.558 0.328 0.00 0.00 +0.127 A ATOM 17 C LIG 1 4.600 0.505 -0.058 0.00 0.00 +0.033 A ATOM 18 C LIG 1 4.029 1.733 -0.391 0.00 0.00 +0.003 A ATOM 19 C LIG 1 2.643 1.893 -0.345 0.00 0.00 +0.013 A BRANCH 16 20 ATOM 20 N LIG 1 4.373 -1.847 0.695 0.00 0.00 +0.056 N ATOM 21 O LIG 1 3.606 -2.770 1.005 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 5.608 -1.937 0.671 0.00 0.00 -0.126 OA ENDBRANCH 16 20 ENDBRANCH 3 14 TORSDOF 3