REMARK Name = LIG000866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.050 -0.470 3.227 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -1.843 -1.117 2.274 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -1.364 -1.348 0.965 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.062 -0.946 0.619 0.00 0.00 +0.042 A ATOM 5 C LIG 1 0.736 -0.329 1.596 0.00 0.00 +0.026 A ATOM 6 C LIG 1 0.255 -0.101 2.888 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -5.709 0.834 2.851 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.385 0.611 3.277 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -4.114 0.090 4.545 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -5.190 -0.113 5.443 0.00 0.00 +0.051 A ATOM 11 N LIG 1 -4.947 -0.474 6.791 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -5.719 -0.587 7.434 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -3.686 -0.582 7.363 0.00 0.00 +0.279 A ATOM 14 C LIG 1 -2.585 -0.407 6.434 0.00 0.00 +0.178 A ATOM 15 N LIG 1 -1.256 -0.410 6.717 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -0.608 -0.214 5.574 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 -1.510 -0.253 4.553 0.00 0.00 -0.211 N ATOM 18 O LIG 1 -3.555 -0.821 8.559 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 -6.506 0.095 5.034 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -2.786 -0.171 5.085 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -6.760 0.556 3.741 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 -6.449 2.285 -1.043 0.00 0.00 +0.214 A ATOM 23 N LIG 1 -5.863 1.078 -0.907 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -5.649 0.646 0.358 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -5.983 1.360 1.510 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.591 2.606 1.319 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.829 3.077 0.029 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 -6.280 1.928 -3.347 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -6.707 2.793 -2.300 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 0.418 -1.177 -0.674 0.00 0.00 -0.326 N ATOM 31 C LIG 1 0.565 0.048 -1.493 0.00 0.00 +0.124 C ATOM 32 C LIG 1 1.413 -0.221 -2.746 0.00 0.00 +0.127 C ATOM 33 N LIG 1 2.766 -0.675 -2.392 0.00 0.00 -0.295 N ATOM 34 C LIG 1 3.832 -0.211 -3.140 0.00 0.00 +0.240 C ATOM 35 O LIG 1 3.688 0.499 -4.136 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 2.860 -1.540 -1.204 0.00 0.00 +0.127 C ATOM 37 C LIG 1 1.517 -2.164 -0.778 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 5.200 -0.588 -2.698 0.00 0.00 +0.071 C ATOM 39 C LIG 1 6.258 -0.134 -3.391 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 7.623 -0.514 -2.950 0.00 0.00 +0.186 C ATOM 41 O LIG 1 7.810 -1.123 -1.901 0.00 0.00 -0.287 OA BRANCH 40 42 ATOM 42 C LIG 1 8.784 -0.116 -3.795 0.00 0.00 +0.025 A ATOM 43 C LIG 1 10.035 -0.003 -3.171 0.00 0.00 +0.053 A ATOM 44 C LIG 1 11.152 0.360 -3.919 0.00 0.00 +0.159 A ATOM 45 F LIG 1 12.341 0.473 -3.311 0.00 0.00 -0.202 F ATOM 46 C LIG 1 11.040 0.605 -5.282 0.00 0.00 +0.158 A ATOM 47 F LIG 1 12.116 0.959 -5.997 0.00 0.00 -0.202 F ATOM 48 C LIG 1 9.809 0.481 -5.918 0.00 0.00 +0.042 A ATOM 49 C LIG 1 8.678 0.115 -5.177 0.00 0.00 +0.014 A ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 50 ATOM 50 C LIG 1 -2.245 -2.053 -0.042 0.00 0.00 +0.419 C ATOM 51 F LIG 1 -3.499 -2.301 0.450 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -2.455 -1.340 -1.183 0.00 0.00 -0.166 F ATOM 53 F LIG 1 -1.767 -3.271 -0.422 0.00 0.00 -0.166 F ENDBRANCH 3 50 TORSDOF 8