REMARK Name = LIG001249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.245 -1.035 2.500 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.380 -1.018 1.280 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -2.548 -0.005 0.826 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -2.345 1.287 1.563 0.00 0.00 +0.045 C ATOM 5 C LIG 1 -1.912 -0.360 -0.440 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.097 0.527 -1.276 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -0.012 0.166 -1.850 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 0.608 -1.152 -1.791 0.00 0.00 +0.183 C ATOM 9 C LIG 1 -0.317 -2.228 -2.264 0.00 0.00 +0.163 A ATOM 10 N LIG 1 -1.593 -2.445 -1.764 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -2.020 -3.587 -2.435 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -3.370 -4.197 -2.372 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -1.059 -4.025 -3.222 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 0.001 -3.179 -3.117 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -2.193 -1.677 -0.759 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -3.324 -2.390 0.274 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 -1.562 1.928 -1.506 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.921 2.228 -1.669 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -3.321 3.548 -1.897 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.366 4.561 -1.975 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -2.865 6.184 -2.252 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -1.010 4.268 -1.834 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -0.607 2.950 -1.606 0.00 0.00 +0.011 A ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 1.220 -1.476 -0.426 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 2.434 -0.625 -0.086 0.00 0.00 +0.221 C ATOM 26 N LIG 1 2.969 -1.000 1.139 0.00 0.00 -0.270 N ATOM 27 H LIG 1 2.558 -1.792 1.612 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 2.850 0.264 -0.817 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 4.068 -0.393 1.762 0.00 0.00 +0.126 A ATOM 30 N LIG 1 4.663 0.676 1.210 0.00 0.00 -0.229 NA ATOM 31 CA LIG 1 5.717 1.216 1.862 0.00 0.00 +0.105 A ATOM 32 C LIG 1 6.214 0.740 3.065 0.00 0.00 +0.031 A ATOM 33 C LIG 1 5.588 -0.362 3.629 0.00 0.00 +0.006 A ATOM 34 C LIG 1 4.500 -0.937 2.970 0.00 0.00 +0.044 A BRANCH 31 35 ATOM 35 C LIG 1 6.331 2.386 1.202 0.00 0.00 +0.278 C ATOM 36 O LIG 1 7.280 2.993 1.688 0.00 0.00 -0.294 OA ENDBRANCH 31 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 5