REMARK Name = LIG000843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.064 0.251 1.282 0.00 0.00 -0.010 A ATOM 2 C LIG 1 0.583 -0.620 0.396 0.00 0.00 +0.007 A ATOM 3 C LIG 1 1.542 -0.137 -0.497 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.864 1.227 -0.529 0.00 0.00 -0.030 A ATOM 5 C LIG 1 1.206 2.100 0.347 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.248 1.616 1.242 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.119 -0.265 2.229 0.00 0.00 +0.264 C BRANCH 7 8 ATOM 8 O LIG 1 -2.372 -0.217 1.551 0.00 0.00 -0.487 OA BRANCH 8 14 ATOM 9 N LIG 1 -6.376 -0.315 0.025 0.00 0.00 -0.281 N ATOM 10 C LIG 1 -6.937 -0.863 1.168 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -8.090 -1.198 1.360 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -5.855 -0.998 2.150 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -4.666 -0.602 1.542 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -3.471 -0.630 2.241 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -3.506 -1.072 3.570 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.718 -1.474 4.171 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.915 -1.439 3.456 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -4.925 -0.214 0.126 0.00 0.00 +0.148 C BRANCH 9 25 ATOM 19 O LIG 1 -9.894 -1.067 -4.148 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -9.099 -0.825 -3.244 0.00 0.00 +0.219 C ATOM 21 N LIG 1 -8.190 -1.766 -2.831 0.00 0.00 -0.255 N ATOM 22 H LIG 1 -8.242 -2.666 -3.290 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 -7.162 -1.612 -1.928 0.00 0.00 +0.240 C ATOM 24 O LIG 1 -6.340 -2.513 -1.764 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 -7.052 -0.230 -1.265 0.00 0.00 +0.163 C ATOM 26 C LIG 1 -8.423 0.443 -1.195 0.00 0.00 +0.041 C ATOM 27 C LIG 1 -9.009 0.537 -2.595 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 28 ATOM 28 C LIG 1 2.902 1.738 -1.500 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 N LIG 1 4.242 1.280 -1.152 0.00 0.00 -0.294 N ATOM 30 C LIG 1 4.932 0.449 -2.030 0.00 0.00 +0.233 C ATOM 31 O LIG 1 4.403 -0.011 -3.046 0.00 0.00 -0.274 OA ATOM 32 C LIG 1 6.370 0.022 -1.660 0.00 0.00 +0.201 C ATOM 33 N LIG 1 7.003 0.846 -0.598 0.00 0.00 -0.318 N ATOM 34 C LIG 1 6.092 1.141 0.511 0.00 0.00 +0.124 C ATOM 35 C LIG 1 4.928 1.958 -0.052 0.00 0.00 +0.127 C BRANCH 33 36 ATOM 36 C LIG 1 8.292 0.383 -0.270 0.00 0.00 +0.049 A ATOM 37 C LIG 1 9.423 0.787 -1.019 0.00 0.00 +0.063 A ATOM 38 CL LIG 1 9.282 1.920 -2.325 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 10.706 0.318 -0.717 0.00 0.00 +0.041 A ATOM 40 C LIG 1 10.880 -0.566 0.341 0.00 0.00 +0.042 A ATOM 41 CL LIG 1 12.454 -1.149 0.720 0.00 0.00 -0.083 Cl ATOM 42 C LIG 1 9.790 -0.983 1.098 0.00 0.00 +0.022 A ATOM 43 C LIG 1 8.507 -0.511 0.794 0.00 0.00 +0.026 A ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 7