REMARK Name = LIG001028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.936 2.642 -0.647 0.00 0.00 +0.139 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 4.226 -0.066 1.065 0.00 0.00 -0.282 N ATOM 3 C LIG 1 3.469 0.323 2.157 0.00 0.00 +0.248 C ATOM 4 O LIG 1 3.694 0.140 3.336 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.271 0.985 1.631 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.306 0.903 0.242 0.00 0.00 -0.018 A ATOM 7 C LIG 1 1.280 1.441 -0.514 0.00 0.00 +0.011 A ATOM 8 C LIG 1 0.213 2.075 0.150 0.00 0.00 -0.030 A ATOM 9 C LIG 1 0.196 2.135 1.564 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.235 1.587 2.319 0.00 0.00 +0.014 A ATOM 11 C LIG 1 3.528 0.168 -0.193 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 6.715 -2.531 4.728 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 6.344 -2.014 3.676 0.00 0.00 +0.219 C ATOM 14 N LIG 1 5.609 -2.733 2.771 0.00 0.00 -0.255 N ATOM 15 H LIG 1 5.348 -3.662 3.068 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.064 -2.309 1.586 0.00 0.00 +0.240 C ATOM 17 O LIG 1 4.285 -3.030 0.961 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.422 -0.899 1.117 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.618 -0.296 1.851 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.649 -0.576 3.342 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -1.919 1.620 -0.920 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -2.470 1.286 -0.137 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -1.927 0.904 -2.093 0.00 0.00 +0.234 C ATOM 24 O LIG 1 -1.162 1.138 -3.031 0.00 0.00 -0.274 OA BRANCH 23 25 ATOM 25 C LIG 1 -2.977 -0.224 -2.166 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 N LIG 1 -2.616 -1.062 -3.311 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -1.947 -0.672 -3.971 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 -3.057 -2.354 -3.432 0.00 0.00 +0.239 C ATOM 29 O LIG 1 -3.806 -2.890 -2.618 0.00 0.00 -0.273 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.536 -3.096 -4.663 0.00 0.00 +0.251 C BRANCH 30 31 ATOM 31 O LIG 1 -3.270 -4.284 -4.917 0.00 0.00 -0.386 OA ATOM 32 H LIG 1 -3.623 -4.572 -4.052 0.00 0.00 +0.210 HD ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -4.399 0.343 -2.320 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 -5.006 0.818 -1.018 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -5.217 2.185 -0.784 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -5.760 2.616 0.427 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -6.098 1.682 1.399 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -6.616 2.099 2.561 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -5.906 0.323 1.182 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -5.363 -0.111 -0.028 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 23 25 ENDBRANCH 1 21 TORSDOF 9