REMARK Name = LIG000573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.039 -0.464 -0.083 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.891 0.548 0.380 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.261 0.360 0.275 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.376 1.269 0.667 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.557 0.470 0.369 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.237 -0.720 -0.258 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.986 -1.545 -0.742 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.773 -0.809 -0.278 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.966 -1.824 -0.749 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -0.584 -1.641 -0.645 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.898 1.028 0.501 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.471 1.365 -0.876 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.954 2.202 -1.616 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.569 0.652 -1.286 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.919 0.876 -2.207 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.173 -0.414 -0.673 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.128 -0.979 -1.203 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.607 -0.870 0.648 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.859 0.230 1.379 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 2.143 0.640 0.477 0.00 0.00 +0.268 C ATOM 21 N LIG 1 1.362 -0.381 -0.025 0.00 0.00 -0.280 N ATOM 22 H LIG 1 1.902 -1.161 -0.393 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 1.756 1.687 0.982 0.00 0.00 -0.268 OA BRANCH 20 29 ATOM 24 C LIG 1 8.043 -0.096 0.131 0.00 0.00 +0.137 A ATOM 25 C LIG 1 7.098 0.755 0.562 0.00 0.00 +0.138 A ATOM 26 N LIG 1 5.761 0.411 0.394 0.00 0.00 -0.302 N ATOM 27 C LIG 1 5.338 -0.784 -0.183 0.00 0.00 +0.139 A ATOM 28 N LIG 1 4.024 -0.858 -0.232 0.00 0.00 -0.223 NA ATOM 29 C LIG 1 3.569 0.326 0.337 0.00 0.00 +0.144 A ATOM 30 C LIG 1 6.348 -1.698 -0.600 0.00 0.00 +0.050 A ATOM 31 C LIG 1 4.634 1.113 0.729 0.00 0.00 +0.125 A ATOM 32 C LIG 1 7.648 -1.375 -0.444 0.00 0.00 +0.051 A BRANCH 24 34 ATOM 33 C LIG 1 9.989 0.583 -0.914 0.00 0.00 +0.277 C ATOM 34 O LIG 1 9.385 0.134 0.299 0.00 0.00 -0.494 OA ENDBRANCH 24 34 ENDBRANCH 20 29 ENDBRANCH 1 21 TORSDOF 4