REMARK Name = LIG000763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.289 -0.107 -0.122 0.00 0.00 -0.300 N ATOM 2 H LIG 1 -0.098 -0.650 0.645 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -0.538 0.772 -0.785 0.00 0.00 +0.247 C ATOM 4 O LIG 1 -0.125 1.675 -1.502 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 O LIG 1 5.397 -0.292 1.745 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 4.345 -0.119 1.138 0.00 0.00 +0.219 C ATOM 7 N LIG 1 3.439 0.825 1.550 0.00 0.00 -0.255 N ATOM 8 H LIG 1 3.672 1.268 2.429 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 2.098 0.820 1.247 0.00 0.00 +0.240 C ATOM 10 O LIG 1 1.279 1.331 2.008 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 1.726 0.126 -0.072 0.00 0.00 +0.160 C ATOM 12 C LIG 1 2.493 -1.187 -0.165 0.00 0.00 +0.041 C ATOM 13 C LIG 1 3.986 -0.906 -0.102 0.00 0.00 +0.098 C ENDBRANCH 1 11 BRANCH 3 14 ATOM 14 C LIG 1 -2.000 0.628 -0.570 0.00 0.00 +0.067 A ATOM 15 C LIG 1 -2.686 -0.586 -0.513 0.00 0.00 +0.138 A ATOM 16 C LIG 1 -4.076 -0.648 -0.342 0.00 0.00 +0.033 A ATOM 17 C LIG 1 -4.798 0.539 -0.226 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -4.135 1.766 -0.292 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.747 1.811 -0.469 0.00 0.00 +0.015 A BRANCH 15 20 ATOM 20 N LIG 1 -1.985 -1.837 -0.658 0.00 0.00 +0.057 N ATOM 21 O LIG 1 -2.024 -2.383 -1.766 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 -1.419 -2.274 0.354 0.00 0.00 -0.126 OA ENDBRANCH 15 20 ENDBRANCH 3 14 TORSDOF 3