REMARK Name = LIG000554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.690 -5.143 -0.465 0.00 0.00 -0.315 N ATOM 2 C LIG 1 1.473 -3.800 -0.332 0.00 0.00 +0.167 A ATOM 3 C LIG 1 2.676 -3.292 0.111 0.00 0.00 +0.148 A ATOM 4 C LIG 1 2.726 -1.909 0.324 0.00 0.00 +0.152 A ATOM 5 N LIG 1 1.598 -1.195 0.071 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 0.460 -1.798 -0.352 0.00 0.00 +0.222 A ATOM 7 N LIG 1 3.613 -4.292 0.268 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 0.347 -3.120 -0.579 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 2.984 -5.393 -0.091 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -0.652 -0.981 -0.599 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -0.654 0.266 0.187 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -1.825 1.176 -0.220 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -3.115 0.469 -0.223 0.00 0.00 -0.295 N ATOM 14 C LIG 1 -4.335 1.145 -0.161 0.00 0.00 +0.247 C ATOM 15 O LIG 1 -5.365 0.736 -0.691 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -3.098 -0.780 -0.989 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -1.936 -1.706 -0.593 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -4.414 2.407 0.605 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -5.006 3.518 0.010 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -5.092 4.674 0.762 0.00 0.00 +0.111 A ATOM 21 N LIG 1 -4.646 4.775 2.034 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 -4.106 3.669 2.590 0.00 0.00 +0.111 A ATOM 23 C LIG 1 -3.973 2.465 1.926 0.00 0.00 +0.033 A ENDBRANCH 14 18 ENDBRANCH 6 10 BRANCH 1 25 ATOM 24 C LIG 1 0.670 -6.243 -2.417 0.00 0.00 +0.027 C ATOM 25 C LIG 1 0.724 -6.124 -0.904 0.00 0.00 +0.121 C ENDBRANCH 1 25 BRANCH 4 26 ATOM 26 N LIG 1 3.899 -1.263 0.746 0.00 0.00 -0.320 N ATOM 27 H LIG 1 4.552 -1.980 1.065 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 3.685 -0.210 1.742 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 C LIG 1 3.349 1.151 1.212 0.00 0.00 +0.125 A ATOM 30 N LIG 1 3.135 1.369 -0.127 0.00 0.00 -0.341 N ATOM 31 H LIG 1 3.151 0.634 -0.824 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 2.813 2.687 -0.306 0.00 0.00 +0.068 A ATOM 33 C LIG 1 2.871 3.229 0.972 0.00 0.00 +0.091 A ATOM 34 C LIG 1 2.593 4.589 1.156 0.00 0.00 +0.051 A ATOM 35 C LIG 1 2.256 5.363 0.036 0.00 0.00 +0.061 A ATOM 36 C LIG 1 2.198 4.790 -1.244 0.00 0.00 +0.061 A ATOM 37 CL LIG 1 1.777 5.712 -2.646 0.00 0.00 -0.082 Cl ATOM 38 CL LIG 1 1.913 7.037 0.308 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 2.479 3.429 -1.441 0.00 0.00 +0.049 A ATOM 40 N LIG 1 3.203 2.270 1.897 0.00 0.00 -0.231 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 6