REMARK Name = BDB027482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.571 -0.509 0.746 0.00 0.00 +0.071 A ATOM 2 N LIG 1 2.111 -1.750 0.500 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.775 -1.898 0.330 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.191 -0.881 0.397 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.306 0.409 0.638 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.700 0.577 0.823 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.848 -0.195 1.295 0.00 0.00 +0.155 A ATOM 8 C LIG 1 6.140 -1.324 1.710 0.00 0.00 +0.165 A ATOM 9 F LIG 1 6.785 -2.343 2.300 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.762 -1.427 1.529 0.00 0.00 +0.052 A ATOM 11 C LIG 1 4.032 -0.390 0.928 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.753 0.742 0.504 0.00 0.00 +0.014 A ATOM 13 C LIG 1 6.142 0.842 0.685 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 8.950 0.903 1.079 0.00 0.00 +0.277 C ATOM 15 O LIG 1 8.195 -0.213 1.530 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.520 -1.242 0.214 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.569 -0.766 1.112 0.00 0.00 +0.111 C ATOM 18 C LIG 1 -3.715 -1.782 1.149 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -4.226 -2.069 -0.276 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -3.097 -2.487 -1.234 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -1.931 -1.469 -1.186 0.00 0.00 +0.123 C BRANCH 20 22 ATOM 22 N LIG 1 -3.625 -2.645 -2.595 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -4.399 -3.310 -2.585 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -4.020 -1.762 -2.922 0.00 0.00 +0.119 HD ENDBRANCH 20 22 BRANCH 18 25 ATOM 25 C LIG 1 -3.292 -3.055 1.879 0.00 0.00 +0.218 C ATOM 26 F LIG 1 -4.367 -3.886 1.966 0.00 0.00 -0.249 F ENDBRANCH 18 25 ENDBRANCH 4 16 BRANCH 5 27 ATOM 27 C LIG 1 -0.538 1.661 0.664 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -1.095 2.014 -0.630 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -2.340 2.547 -0.836 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -2.423 2.741 -2.205 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -3.632 3.261 -2.696 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -4.610 3.563 -1.813 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -4.386 3.329 -0.502 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -1.244 2.378 -2.824 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -3.283 2.818 0.082 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -0.467 1.958 -1.848 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -3.867 3.496 -4.044 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -4.590 4.188 -4.192 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -3.018 3.575 -4.594 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 8