REMARK Name = LIG000911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.210 3.642 0.028 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -1.793 2.541 -0.725 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -0.613 1.834 -0.398 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.147 2.222 0.723 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.268 3.359 1.440 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.420 4.073 1.091 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -5.543 0.314 -0.976 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.861 1.501 -0.645 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -5.140 2.701 -1.305 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -6.190 2.740 -2.249 0.00 0.00 +0.051 A ATOM 11 N LIG 1 -6.617 3.973 -2.801 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -7.395 3.999 -3.445 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -6.127 5.219 -2.421 0.00 0.00 +0.279 A ATOM 14 C LIG 1 -5.025 5.174 -1.477 0.00 0.00 +0.178 A ATOM 15 N LIG 1 -4.379 6.217 -0.892 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -3.437 5.708 -0.103 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 -3.376 4.366 -0.325 0.00 0.00 -0.211 N ATOM 18 O LIG 1 -6.606 6.251 -2.880 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 -6.861 1.574 -2.603 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -4.506 3.979 -1.018 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -6.531 0.369 -1.975 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 -4.619 -3.245 1.113 0.00 0.00 +0.214 A ATOM 23 N LIG 1 -3.615 -2.568 0.523 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -3.955 -1.443 -0.151 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -5.252 -0.939 -0.265 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.259 -1.683 0.363 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.943 -2.849 1.059 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 -2.976 -4.764 1.796 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -4.351 -4.393 1.831 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 1.272 1.493 1.111 0.00 0.00 -0.326 N ATOM 31 C LIG 1 0.973 0.220 1.826 0.00 0.00 +0.124 C ATOM 32 C LIG 1 2.051 -0.131 2.871 0.00 0.00 +0.127 C ATOM 33 N LIG 1 3.401 -0.001 2.315 0.00 0.00 -0.295 N ATOM 34 C LIG 1 4.184 -1.135 2.195 0.00 0.00 +0.240 C ATOM 35 O LIG 1 3.823 -2.251 2.565 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 3.675 1.271 1.621 0.00 0.00 +0.127 C ATOM 37 C LIG 1 2.461 2.225 1.590 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 5.519 -0.956 1.576 0.00 0.00 +0.071 C ATOM 39 C LIG 1 6.095 -2.002 0.966 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 7.436 -1.832 0.357 0.00 0.00 +0.186 C ATOM 41 O LIG 1 8.115 -0.833 0.572 0.00 0.00 -0.287 OA BRANCH 40 42 ATOM 42 C LIG 1 7.961 -2.919 -0.514 0.00 0.00 +0.022 A ATOM 43 C LIG 1 7.121 -3.755 -1.264 0.00 0.00 +0.013 A ATOM 44 C LIG 1 7.670 -4.740 -2.091 0.00 0.00 +0.021 A ATOM 45 C LIG 1 9.055 -4.885 -2.176 0.00 0.00 +0.041 A ATOM 46 CL LIG 1 9.726 -6.086 -3.211 0.00 0.00 -0.084 Cl ATOM 47 C LIG 1 9.897 -4.056 -1.440 0.00 0.00 +0.021 A ATOM 48 C LIG 1 9.351 -3.069 -0.613 0.00 0.00 +0.013 A ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 49 ATOM 49 C LIG 1 -0.195 0.685 -1.290 0.00 0.00 +0.419 C ATOM 50 F LIG 1 -0.821 0.719 -2.507 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -0.526 -0.528 -0.766 0.00 0.00 -0.166 F ATOM 52 F LIG 1 1.133 0.635 -1.584 0.00 0.00 -0.166 F ENDBRANCH 3 49 TORSDOF 8