REMARK Name = LIG001993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.621 -0.633 0.083 0.00 0.00 +0.046 A ATOM 2 C LIG 1 1.238 -0.663 0.173 0.00 0.00 +0.071 A ATOM 3 C LIG 1 0.259 0.410 0.024 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -0.975 -0.138 0.241 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -0.888 -1.488 0.445 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -1.781 -2.301 0.587 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 0.556 1.562 -0.241 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 0.534 -1.824 0.437 0.00 0.00 +0.051 A ATOM 9 C LIG 1 1.165 -3.035 0.628 0.00 0.00 +0.014 A ATOM 10 C LIG 1 2.560 -3.040 0.549 0.00 0.00 +0.003 A ATOM 11 C LIG 1 3.280 -1.853 0.280 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -2.213 0.597 0.028 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -2.746 0.287 -1.375 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -2.039 -0.106 -2.302 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -4.083 0.545 -1.577 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -4.435 0.357 -2.506 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -5.020 0.916 -0.644 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -6.196 1.076 -0.958 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -4.515 1.180 0.756 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.293 0.331 1.072 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 23 ATOM 21 C LIG 1 4.927 2.268 -0.637 0.00 0.00 +0.109 C ATOM 22 C LIG 1 4.616 0.830 -0.306 0.00 0.00 +0.214 C ATOM 23 N LIG 1 3.260 0.592 -0.202 0.00 0.00 -0.285 N ATOM 24 H LIG 1 2.635 1.388 -0.341 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 5.514 0.014 -0.132 0.00 0.00 -0.276 OA ENDBRANCH 1 23 TORSDOF 2