REMARK Name = LIG000349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.127 1.254 0.085 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -2.540 0.929 -0.110 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -2.916 0.191 -1.206 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -2.050 -0.158 -2.023 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -3.351 1.549 0.929 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.351 2.098 1.951 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.124 2.397 1.094 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.982 0.029 0.340 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.274 0.541 -0.483 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.360 0.046 0.661 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.876 -0.784 1.407 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.798 -1.097 0.728 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 5.934 -0.310 -0.266 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.380 0.185 0.921 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.045 -0.076 1.245 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.243 -0.845 0.392 0.00 0.00 -0.030 A ATOM 17 C LIG 1 3.795 -1.333 -0.800 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.129 -1.071 -1.122 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 8.335 -2.419 -0.743 0.00 0.00 +0.067 C ATOM 20 C LIG 1 8.380 -0.935 -0.832 0.00 0.00 +0.053 A ATOM 21 C LIG 1 7.332 -0.051 -0.608 0.00 0.00 +0.042 A ATOM 22 S LIG 1 7.886 1.563 -0.818 0.00 0.00 -0.075 S ATOM 23 C LIG 1 9.446 0.967 -1.189 0.00 0.00 +0.156 A ATOM 24 N LIG 1 9.588 -0.339 -1.168 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -2.804 3.287 2.579 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -3.598 3.061 3.094 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -4.357 -0.287 -1.433 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 C LIG 1 -5.371 0.787 -1.229 0.00 0.00 +0.149 A ATOM 29 O LIG 1 -6.147 0.740 -0.112 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 -7.013 1.819 -0.101 0.00 0.00 -0.086 NA ATOM 31 C LIG 1 -6.764 2.484 -1.230 0.00 0.00 +0.157 A ATOM 32 C LIG 1 -5.741 1.881 -1.980 0.00 0.00 +0.068 A ENDBRANCH 27 28 BRANCH 27 33 ATOM 33 C LIG 1 -4.630 -1.680 -0.814 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -4.561 -1.771 0.711 0.00 0.00 +0.008 C ATOM 35 C LIG 1 -5.954 -2.274 -1.312 0.00 0.00 +0.008 C ENDBRANCH 27 33 ENDBRANCH 3 27 TORSDOF 8