REMARK Name = BDB061636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.822 2.028 0.122 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -3.135 1.122 1.144 0.00 0.00 +0.097 A ATOM 3 C LIG 1 -2.172 0.857 2.135 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -0.924 1.497 2.125 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -0.645 2.416 1.108 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.594 2.691 0.122 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -4.477 0.440 1.186 0.00 0.00 +0.421 C ATOM 8 F LIG 1 -4.577 -0.491 2.182 0.00 0.00 -0.166 F ATOM 9 F LIG 1 -5.505 1.308 1.408 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -4.790 -0.229 0.040 0.00 0.00 -0.166 F ENDBRANCH 2 7 BRANCH 1 11 ATOM 11 O LIG 1 -3.778 2.291 -0.818 0.00 0.00 -0.474 OA BRANCH 11 13 ATOM 12 C LIG 1 -3.045 3.313 -2.882 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -3.458 2.003 -2.191 0.00 0.00 +0.200 C ATOM 14 C LIG 1 -4.798 1.553 -2.803 0.00 0.00 +0.067 C BRANCH 13 15 ATOM 15 C LIG 1 -2.466 0.850 -2.501 0.00 0.00 +0.348 C ATOM 16 O LIG 1 -2.202 -0.113 -1.797 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 -1.898 0.937 -3.724 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -1.339 0.131 -3.773 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 0.117 1.165 3.168 0.00 0.00 +0.184 C BRANCH 19 20 ATOM 20 N LIG 1 0.864 -0.019 2.817 0.00 0.00 -0.208 N ATOM 21 C LIG 1 1.980 -0.053 1.970 0.00 0.00 +0.351 A ATOM 22 O LIG 1 2.547 0.931 1.518 0.00 0.00 -0.244 OA ATOM 23 N LIG 1 2.246 -1.400 1.776 0.00 0.00 -0.250 N ATOM 24 C LIG 1 1.277 -2.041 2.470 0.00 0.00 +0.230 A ATOM 25 N LIG 1 0.429 -1.288 3.099 0.00 0.00 -0.157 NA BRANCH 23 26 ATOM 26 C LIG 1 3.279 -1.981 0.999 0.00 0.00 +0.052 A ATOM 27 C LIG 1 3.395 -3.375 0.867 0.00 0.00 +0.027 A ATOM 28 C LIG 1 4.415 -3.954 0.099 0.00 0.00 +0.014 A ATOM 29 C LIG 1 5.358 -3.156 -0.558 0.00 0.00 +0.055 A ATOM 30 C LIG 1 5.248 -1.767 -0.439 0.00 0.00 +0.014 A ATOM 31 C LIG 1 4.227 -1.192 0.330 0.00 0.00 +0.027 A BRANCH 29 32 ATOM 32 C LIG 1 6.441 -3.781 -1.404 0.00 0.00 +0.417 C ATOM 33 F LIG 1 7.538 -2.987 -1.548 0.00 0.00 -0.166 F ATOM 34 F LIG 1 6.012 -4.063 -2.664 0.00 0.00 -0.166 F ATOM 35 F LIG 1 6.899 -4.958 -0.893 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 9