REMARK Name = BDB027443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.255 -0.415 0.702 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.296 -1.332 1.157 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.775 -2.368 1.966 0.00 0.00 +0.134 A ATOM 4 N LIG 1 2.072 -2.565 2.307 0.00 0.00 -0.258 NA ATOM 5 C LIG 1 2.992 -1.692 1.841 0.00 0.00 +0.045 A ATOM 6 C LIG 1 2.605 -0.611 1.050 0.00 0.00 +0.030 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.073 -1.152 0.855 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -1.743 -0.403 1.953 0.00 0.00 +0.133 C ATOM 9 C LIG 1 -3.228 -0.058 1.606 0.00 0.00 +0.075 C ATOM 10 C LIG 1 -3.980 -1.315 1.081 0.00 0.00 +0.031 C ATOM 11 C LIG 1 -3.115 -2.576 1.105 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -1.779 -2.369 0.395 0.00 0.00 +0.105 C BRANCH 9 13 ATOM 13 C LIG 1 -3.239 1.131 0.620 0.00 0.00 +0.063 A ATOM 14 N LIG 1 -3.389 2.373 1.169 0.00 0.00 -0.249 NA ATOM 15 C LIG 1 -3.380 3.461 0.346 0.00 0.00 +0.107 A ATOM 16 C LIG 1 -3.225 3.345 -1.032 0.00 0.00 +0.029 A ATOM 17 C LIG 1 -3.054 2.082 -1.583 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.056 0.966 -0.752 0.00 0.00 +0.025 A BRANCH 15 19 ATOM 19 C LIG 1 -3.568 4.832 0.962 0.00 0.00 +0.390 C ATOM 20 F LIG 1 -4.859 5.268 0.897 0.00 0.00 -0.202 F ATOM 21 F LIG 1 -2.824 5.799 0.348 0.00 0.00 -0.202 F ENDBRANCH 15 19 ENDBRANCH 9 13 BRANCH 9 22 ATOM 22 N LIG 1 -3.912 0.348 2.872 0.00 0.00 -0.319 NA ATOM 23 H LIG 1 -4.869 0.610 2.627 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -3.497 1.246 3.139 0.00 0.00 +0.119 HD ENDBRANCH 9 22 ENDBRANCH 2 7 BRANCH 5 25 ATOM 25 C LIG 1 4.437 -1.901 2.223 0.00 0.00 +0.038 C ATOM 26 C LIG 1 5.102 -3.225 1.922 0.00 0.00 +0.010 C ATOM 27 C LIG 1 5.515 -1.997 1.168 0.00 0.00 +0.010 C ENDBRANCH 5 25 BRANCH 1 28 ATOM 28 C LIG 1 0.900 0.757 -0.177 0.00 0.00 +0.161 C BRANCH 28 33 ATOM 29 C LIG 1 2.981 0.716 -4.549 0.00 0.00 +0.147 A ATOM 30 C LIG 1 2.008 0.414 -3.581 0.00 0.00 +0.147 A ATOM 31 N LIG 1 0.827 -0.301 -3.637 0.00 0.00 -0.231 NA ATOM 32 C LIG 1 0.348 -0.246 -2.412 0.00 0.00 +0.202 A ATOM 33 N LIG 1 1.161 0.469 -1.572 0.00 0.00 -0.310 N ATOM 34 C LIG 1 2.236 0.895 -2.301 0.00 0.00 +0.166 A ATOM 35 N LIG 1 3.286 1.619 -1.878 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 4.152 1.838 -2.889 0.00 0.00 +0.225 A ATOM 37 N LIG 1 4.067 1.429 -4.174 0.00 0.00 -0.219 NA BRANCH 29 38 ATOM 38 N LIG 1 2.892 0.297 -5.871 0.00 0.00 -0.341 N ATOM 39 H LIG 1 3.800 0.267 -6.317 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 2.280 -0.501 -5.996 0.00 0.00 +0.144 HD ENDBRANCH 29 38 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 8