REMARK Name = LIG001860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.522 -4.738 0.738 0.00 0.00 -0.315 N ATOM 2 C LIG 1 -1.075 -3.464 0.526 0.00 0.00 +0.167 A ATOM 3 C LIG 1 -2.220 -2.700 0.432 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -2.038 -1.328 0.214 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -0.763 -0.872 0.114 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 0.293 -1.716 0.215 0.00 0.00 +0.222 A ATOM 7 N LIG 1 -3.351 -3.477 0.591 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 0.191 -3.041 0.429 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -2.891 -4.698 0.772 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 1.560 -1.172 0.119 0.00 0.00 -0.297 N ATOM 11 C LIG 1 1.685 0.244 -0.222 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.126 0.734 0.014 0.00 0.00 +0.127 C ATOM 13 N LIG 1 4.136 -0.079 -0.681 0.00 0.00 -0.295 N ATOM 14 C LIG 1 5.348 0.410 -1.157 0.00 0.00 +0.247 C ATOM 15 O LIG 1 6.040 -0.192 -1.975 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.707 -1.407 -1.123 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.685 -2.065 -0.178 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 5.836 1.718 -0.665 0.00 0.00 +0.037 A ATOM 19 C LIG 1 5.982 1.962 0.705 0.00 0.00 +0.013 A ATOM 20 C LIG 1 6.460 3.199 1.141 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.803 4.181 0.210 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.681 3.928 -1.157 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.204 2.693 -1.598 0.00 0.00 +0.013 A ENDBRANCH 14 18 ENDBRANCH 6 10 BRANCH 1 25 ATOM 24 C LIG 1 -0.295 -6.541 -0.406 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -0.697 -5.912 0.916 0.00 0.00 +0.121 C ENDBRANCH 1 25 BRANCH 4 26 ATOM 26 N LIG 1 -3.131 -0.455 0.087 0.00 0.00 -0.320 N ATOM 27 H LIG 1 -3.952 -0.927 0.470 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.898 0.855 0.688 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 C LIG 1 -4.034 1.804 0.459 0.00 0.00 +0.125 A ATOM 30 N LIG 1 -4.673 1.864 -0.756 0.00 0.00 -0.341 N ATOM 31 H LIG 1 -4.450 1.276 -1.549 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 -5.659 2.812 -0.676 0.00 0.00 +0.068 A ATOM 33 C LIG 1 -5.564 3.296 0.623 0.00 0.00 +0.091 A ATOM 34 C LIG 1 -6.444 4.299 1.050 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -7.399 4.784 0.146 0.00 0.00 +0.061 A ATOM 36 C LIG 1 -7.476 4.277 -1.160 0.00 0.00 +0.061 A ATOM 37 CL LIG 1 -8.642 4.853 -2.303 0.00 0.00 -0.082 Cl ATOM 38 CL LIG 1 -8.466 6.023 0.715 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 -6.600 3.273 -1.600 0.00 0.00 +0.049 A ATOM 40 N LIG 1 -4.558 2.665 1.310 0.00 0.00 -0.231 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 6