REMARK Name = LIG000541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.670 -1.008 -1.879 0.00 0.00 -0.029 A ATOM 2 C LIG 1 2.633 -1.354 -0.923 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.560 -0.396 -0.491 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.557 0.899 -0.980 0.00 0.00 +0.100 A ATOM 5 N LIG 1 4.481 1.866 -0.569 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 5.329 1.586 0.302 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 5.392 0.347 0.877 0.00 0.00 -0.198 N ATOM 8 C LIG 1 2.590 1.244 -1.928 0.00 0.00 +0.031 A ATOM 9 C LIG 1 4.581 -0.708 0.504 0.00 0.00 +0.278 A ATOM 10 O LIG 1 4.676 -1.850 0.947 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 1.653 0.304 -2.372 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 6.449 0.122 1.863 0.00 0.00 +0.199 C ATOM 13 C LIG 1 6.639 1.340 2.767 0.00 0.00 +0.244 C ATOM 14 O LIG 1 5.809 1.682 3.608 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 7.755 2.112 2.539 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.839 2.940 3.114 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.645 2.022 1.499 0.00 0.00 +0.219 C ATOM 18 O LIG 1 9.500 2.886 1.325 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.477 0.855 0.557 0.00 0.00 +0.099 C ATOM 20 C LIG 1 7.772 -0.312 1.229 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 21 ATOM 21 C LIG 1 0.641 -2.012 -2.336 0.00 0.00 +0.141 C BRANCH 21 25 ATOM 22 N LIG 1 -2.636 -1.090 -1.073 0.00 0.00 -0.269 N ATOM 23 H LIG 1 -2.576 -1.792 -0.353 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 -1.614 -1.101 -1.997 0.00 0.00 +0.304 C ATOM 25 N LIG 1 -0.575 -1.900 -1.562 0.00 0.00 -0.295 N ATOM 26 H LIG 1 -0.471 -1.983 -0.563 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 -1.589 -0.516 -3.072 0.00 0.00 -0.252 OA BRANCH 22 30 ATOM 28 C LIG 1 -6.009 0.109 -0.053 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -4.785 -0.592 -0.119 0.00 0.00 +0.027 A ATOM 30 C LIG 1 -3.826 -0.335 -1.113 0.00 0.00 +0.035 A ATOM 31 C LIG 1 -4.089 0.649 -2.061 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -5.290 1.356 -2.020 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.238 1.089 -1.030 0.00 0.00 +0.004 A BRANCH 28 35 ATOM 34 C LIG 1 -7.456 -1.692 0.952 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -7.027 -0.213 1.055 0.00 0.00 -0.013 C ATOM 36 C LIG 1 -8.313 0.641 0.990 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -6.385 0.035 2.438 0.00 0.00 +0.015 C ENDBRANCH 28 35 ENDBRANCH 22 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 5