REMARK Name = LIG001163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.469 -0.214 1.437 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -0.655 0.301 0.840 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -0.751 1.340 -0.166 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -2.110 1.314 -0.878 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -3.210 1.238 0.101 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.139 -0.044 0.843 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -1.756 -0.356 1.333 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -1.397 -1.286 2.193 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -0.029 -1.203 2.267 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 6.317 -0.067 0.009 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.849 1.188 0.371 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.464 2.236 0.405 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.431 1.029 0.714 0.00 0.00 +0.042 A ATOM 14 C LIG 1 4.075 -0.297 0.478 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.778 -0.723 0.713 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.840 0.209 1.187 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.229 1.546 1.429 0.00 0.00 +0.011 A ATOM 18 C LIG 1 3.539 1.970 1.187 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.249 -1.058 -0.041 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.349 -2.144 -3.061 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.600 -1.514 -2.321 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.635 -0.684 -2.832 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.548 -0.711 -3.839 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.503 -0.268 -2.168 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.496 0.046 -2.799 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.612 -0.249 -0.634 0.00 0.00 +0.163 C ATOM 27 C LIG 1 8.320 -1.519 -0.172 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.697 -1.592 -0.816 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.514 1.374 -0.575 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.669 1.573 0.392 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.735 0.652 0.517 0.00 0.00 -0.011 A ATOM 32 C LIG 1 -7.759 0.928 1.445 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -7.739 2.081 2.230 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.690 2.983 2.106 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.665 2.732 1.195 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -6.816 -0.590 -0.264 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -7.238 -0.592 -1.601 0.00 0.00 +0.131 A ATOM 38 F LIG 1 -7.563 0.561 -2.206 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -7.318 -1.772 -2.338 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -6.976 -2.984 -1.742 0.00 0.00 +0.003 A ATOM 41 C LIG 1 -6.557 -3.009 -0.412 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -6.480 -1.821 0.322 0.00 0.00 +0.011 A ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5