REMARK Name = LIG000853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.263 -0.810 1.913 0.00 0.00 -0.299 N ATOM 2 H LIG 1 0.459 -0.277 1.062 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.658 -1.847 1.743 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -1.631 -1.767 0.751 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -1.851 -0.745 -0.275 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -2.928 -1.146 -1.017 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -3.459 -2.310 -0.534 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -4.432 -2.925 -0.926 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -1.165 0.251 -0.403 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -2.615 -2.727 0.582 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.698 -3.844 1.385 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -1.733 -3.972 2.383 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.732 -2.987 2.558 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -3.578 -0.352 -2.049 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -4.375 0.777 -1.388 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.766 0.747 -0.222 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -4.700 1.835 -2.208 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -5.240 2.576 -1.780 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -4.269 2.071 -3.489 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -4.595 3.091 -4.090 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -3.434 0.988 -4.134 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -2.628 0.221 -3.096 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 25 ATOM 23 C LIG 1 3.029 0.779 3.412 0.00 0.00 +0.236 A ATOM 24 N LIG 1 2.167 0.357 2.489 0.00 0.00 -0.198 NA ATOM 25 C LIG 1 1.163 -0.430 2.907 0.00 0.00 +0.128 A ATOM 26 C LIG 1 1.042 -0.791 4.232 0.00 0.00 +0.063 A ATOM 27 C LIG 1 2.020 -0.338 5.089 0.00 0.00 +0.118 A ATOM 28 N LIG 1 3.049 0.427 4.698 0.00 0.00 -0.222 NA BRANCH 23 29 ATOM 29 N LIG 1 4.176 1.450 3.007 0.00 0.00 -0.184 N ATOM 30 H LIG 1 4.788 1.703 3.774 0.00 0.00 +0.177 HD BRANCH 29 31 ATOM 31 S LIG 1 3.998 2.653 1.874 0.00 0.00 +0.075 S ATOM 32 O LIG 1 2.755 3.359 2.095 0.00 0.00 -0.150 OA ATOM 33 O LIG 1 5.254 3.379 1.870 0.00 0.00 -0.150 OA BRANCH 31 37 ATOM 34 C LIG 1 1.402 1.007 -2.412 0.00 0.00 +0.044 C ATOM 35 C LIG 1 2.679 1.080 -1.629 0.00 0.00 -0.049 A ATOM 36 C LIG 1 2.725 1.743 -0.397 0.00 0.00 +0.032 A ATOM 37 C LIG 1 3.920 1.777 0.331 0.00 0.00 +0.109 A ATOM 38 C LIG 1 5.075 1.165 -0.162 0.00 0.00 +0.029 A ATOM 39 C LIG 1 5.027 0.494 -1.383 0.00 0.00 +0.002 A ATOM 40 C LIG 1 3.835 0.447 -2.109 0.00 0.00 +0.003 A ENDBRANCH 31 37 ENDBRANCH 29 31 ENDBRANCH 23 29 ENDBRANCH 1 25 TORSDOF 6