REMARK Name = LIG000105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.021 0.470 -0.244 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.567 0.754 0.524 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 0.609 -0.251 -1.237 0.00 0.00 +0.304 C ATOM 4 N LIG 1 1.979 -0.160 -1.101 0.00 0.00 -0.292 N ATOM 5 H LIG 1 2.308 0.662 -0.615 0.00 0.00 +0.151 HD ATOM 6 O LIG 1 0.067 -0.900 -2.121 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -4.945 -0.252 -2.799 0.00 0.00 +0.173 C ATOM 8 N LIG 1 -4.846 0.409 -1.519 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -3.701 0.640 -0.801 0.00 0.00 +0.071 A ATOM 10 C LIG 1 -4.121 1.298 0.349 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -3.162 1.667 1.307 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -1.813 1.365 1.071 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -1.403 0.707 -0.095 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -5.534 1.427 0.211 0.00 0.00 +0.083 A ATOM 15 C LIG 1 -2.352 0.338 -1.055 0.00 0.00 +0.051 A ATOM 16 N LIG 1 -5.964 0.885 -0.937 0.00 0.00 -0.175 NA BRANCH 14 17 ATOM 17 C LIG 1 -6.481 2.098 1.164 0.00 0.00 +0.127 C ATOM 18 C LIG 1 -6.645 1.258 2.418 0.00 0.00 +0.228 C ATOM 19 O LIG 1 -5.849 1.307 3.356 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 -7.736 0.426 2.484 0.00 0.00 -0.256 N ATOM 21 H LIG 1 -7.827 -0.102 3.341 0.00 0.00 +0.157 HD ATOM 22 C LIG 1 -8.857 0.463 1.698 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -9.870 -0.156 2.014 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -8.773 1.276 0.432 0.00 0.00 +0.097 C ATOM 25 C LIG 1 -7.853 2.477 0.597 0.00 0.00 +0.028 C ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 2.958 -0.780 -2.014 0.00 0.00 +0.052 C ATOM 27 C LIG 1 2.837 -0.231 -3.456 0.00 0.00 +0.027 C ATOM 28 C LIG 1 3.093 -1.432 -4.355 0.00 0.00 +0.002 C ATOM 29 C LIG 1 2.413 -2.569 -3.615 0.00 0.00 +0.002 C ATOM 30 C LIG 1 2.757 -2.315 -2.150 0.00 0.00 +0.027 C BRANCH 26 31 ATOM 31 C LIG 1 4.385 -0.480 -1.471 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 N LIG 1 4.551 -0.878 -0.085 0.00 0.00 -0.279 N ATOM 33 H LIG 1 4.231 -1.787 0.220 0.00 0.00 +0.152 HD ATOM 34 C LIG 1 5.458 -0.286 0.740 0.00 0.00 +0.401 C ATOM 35 O LIG 1 6.078 0.732 0.481 0.00 0.00 -0.226 OA BRANCH 34 36 ATOM 36 O LIG 1 5.549 -1.014 1.874 0.00 0.00 -0.445 OA BRANCH 36 37 ATOM 37 C LIG 1 6.451 -0.617 2.939 0.00 0.00 +0.107 C ATOM 38 C LIG 1 6.267 -1.687 4.026 0.00 0.00 +0.055 C ATOM 39 C LIG 1 6.058 0.745 3.522 0.00 0.00 +0.055 C ATOM 40 C LIG 1 7.911 -0.639 2.472 0.00 0.00 +0.055 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 4 26 TORSDOF 7