REMARK Name = LIG001283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.784 -2.518 -2.069 0.00 0.00 +0.125 A ATOM 2 N LIG 1 0.278 -3.277 -2.409 0.00 0.00 -0.238 NA ATOM 3 C LIG 1 1.524 -2.761 -2.225 0.00 0.00 +0.136 A ATOM 4 C LIG 1 1.816 -1.503 -1.702 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.692 -0.747 -1.364 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -0.603 -1.248 -1.545 0.00 0.00 +0.045 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 3.100 -0.984 -1.515 0.00 0.00 -0.326 N ATOM 8 C LIG 1 3.369 -0.535 -0.125 0.00 0.00 +0.124 C ATOM 9 C LIG 1 4.872 -0.351 0.162 0.00 0.00 +0.127 C ATOM 10 N LIG 1 5.671 -1.540 -0.178 0.00 0.00 -0.295 N ATOM 11 C LIG 1 6.795 -1.971 0.495 0.00 0.00 +0.240 C ATOM 12 O LIG 1 7.325 -3.063 0.306 0.00 0.00 -0.271 OA ATOM 13 C LIG 1 5.155 -2.372 -1.270 0.00 0.00 +0.127 C ATOM 14 C LIG 1 4.252 -1.580 -2.225 0.00 0.00 +0.124 C BRANCH 11 15 ATOM 15 C LIG 1 7.379 -1.071 1.513 0.00 0.00 +0.068 C ATOM 16 C LIG 1 7.902 0.111 1.154 0.00 0.00 +0.013 C BRANCH 16 17 ATOM 17 C LIG 1 8.551 1.008 2.119 0.00 0.00 -0.013 A ATOM 18 C LIG 1 8.111 2.333 2.312 0.00 0.00 +0.062 A ATOM 19 C LIG 1 8.787 3.147 3.242 0.00 0.00 +0.013 A ATOM 20 C LIG 1 9.880 2.662 3.960 0.00 0.00 +0.001 A ATOM 21 C LIG 1 10.316 1.357 3.760 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.658 0.536 2.844 0.00 0.00 +0.008 A BRANCH 18 23 ATOM 23 C LIG 1 6.926 2.892 1.562 0.00 0.00 +0.418 C ATOM 24 F LIG 1 6.668 4.201 1.846 0.00 0.00 -0.166 F ATOM 25 F LIG 1 7.077 2.838 0.209 0.00 0.00 -0.166 F ATOM 26 F LIG 1 5.766 2.228 1.833 0.00 0.00 -0.166 F ENDBRANCH 18 23 ENDBRANCH 16 17 ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 N LIG 1 -2.014 -3.108 -2.286 0.00 0.00 -0.268 N ATOM 28 H LIG 1 -1.941 -4.031 -2.683 0.00 0.00 +0.156 HD BRANCH 27 35 ATOM 29 C LIG 1 -6.915 -0.318 -0.908 0.00 0.00 +0.107 A ATOM 30 N LIG 1 -5.534 -0.174 -0.904 0.00 0.00 -0.318 N ATOM 31 C LIG 1 -4.955 -1.319 -1.416 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -5.962 -2.195 -1.770 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.557 -3.404 -2.317 0.00 0.00 +0.126 A ATOM 34 N LIG 1 -4.237 -3.660 -2.464 0.00 0.00 -0.222 NA ATOM 35 C LIG 1 -3.331 -2.733 -2.085 0.00 0.00 +0.222 A ATOM 36 N LIG 1 -3.638 -1.541 -1.551 0.00 0.00 -0.196 NA ATOM 37 C LIG 1 -7.186 -1.566 -1.461 0.00 0.00 +0.044 A BRANCH 29 40 ATOM 38 C LIG 1 -8.862 -0.941 1.186 0.00 0.00 +0.132 C ATOM 39 N LIG 1 -8.909 0.260 0.364 0.00 0.00 -0.302 N ATOM 40 C LIG 1 -7.885 0.678 -0.489 0.00 0.00 +0.263 C ATOM 41 O LIG 1 -7.820 1.839 -0.885 0.00 0.00 -0.268 OA ATOM 42 C LIG 1 -9.995 1.182 0.644 0.00 0.00 +0.132 C ENDBRANCH 29 40 BRANCH 30 43 ATOM 43 C LIG 1 -4.750 0.954 -0.431 0.00 0.00 +0.089 C ATOM 44 C LIG 1 -5.047 1.448 0.990 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -4.511 2.871 0.978 0.00 0.00 +0.002 C ATOM 46 C LIG 1 -4.923 3.392 -0.392 0.00 0.00 +0.002 C ATOM 47 C LIG 1 -4.783 2.197 -1.334 0.00 0.00 +0.025 C ENDBRANCH 30 43 ENDBRANCH 27 35 ENDBRANCH 1 27 TORSDOF 8