REMARK Name = BDB026080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.942 1.521 0.447 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.629 0.181 0.123 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.703 -0.242 0.058 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.763 0.645 0.328 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.425 1.967 0.656 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.388 2.859 0.938 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.103 2.406 0.717 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.471 4.448 -1.380 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.093 3.460 -0.275 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.266 4.122 1.046 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.611 3.893 1.577 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.233 3.694 2.015 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.767 2.228 1.876 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.308 1.902 0.498 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.648 2.937 -0.513 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.162 0.195 0.266 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.595 -1.025 0.745 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.873 -1.465 0.697 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.793 -0.663 0.143 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.479 0.545 -0.351 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 4.188 0.942 -0.278 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.110 -1.075 0.103 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.411 -2.503 0.241 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.226 -2.988 -0.969 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.463 -2.282 -1.161 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.425 -0.926 -0.687 0.00 0.00 +0.179 C ATOM 27 C LIG 1 8.025 -0.295 -0.733 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.738 -0.654 -0.128 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.617 -0.150 -0.027 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.752 -2.003 -0.383 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.788 -2.759 -0.388 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.127 -2.555 -0.610 0.00 0.00 +0.054 A ATOM 33 C LIG 1 -3.506 -3.828 -0.022 0.00 0.00 +0.032 A ATOM 34 C LIG 1 -4.725 -4.364 -0.224 0.00 0.00 +0.120 A ATOM 35 C LIG 1 -5.699 -3.638 -1.074 0.00 0.00 +0.260 A ATOM 36 O LIG 1 -6.830 -4.050 -1.293 0.00 0.00 -0.267 OA ATOM 37 N LIG 1 -5.254 -2.452 -1.619 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.917 -1.975 -2.221 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.004 -1.922 -1.407 0.00 0.00 +0.099 A BRANCH 34 40 ATOM 40 C LIG 1 -5.211 -5.650 0.326 0.00 0.00 +0.422 C ATOM 41 F LIG 1 -6.290 -5.499 1.135 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.259 -6.257 1.091 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -5.539 -6.546 -0.638 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6