REMARK Name = BDB038557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.149 2.807 -0.129 0.00 0.00 +0.121 A ATOM 2 N LIG 1 1.065 2.250 -0.007 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.236 0.950 -0.310 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.172 0.182 -0.772 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.111 0.738 -0.875 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.256 2.088 -0.552 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.510 0.372 -0.126 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.629 1.054 0.348 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.797 2.212 0.681 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.719 0.070 0.410 0.00 0.00 +0.042 A ATOM 11 C LIG 1 6.028 0.260 0.812 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.876 -0.847 0.788 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.400 -2.103 0.367 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.065 -2.281 -0.046 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.232 -1.165 -0.009 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.785 -1.034 -0.365 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.553 -3.631 -0.476 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.753 -3.559 -1.575 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.545 -4.508 -0.794 0.00 0.00 -0.166 F ATOM 20 F LIG 1 3.813 -4.233 0.492 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -2.268 -0.079 -1.300 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -2.613 -1.305 -0.681 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -3.702 -2.056 -1.157 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -4.474 -1.607 -2.235 0.00 0.00 -0.021 A ATOM 25 C LIG 1 -4.156 -0.385 -2.830 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.066 0.363 -2.374 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 -1.856 -1.845 0.447 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -1.899 -1.389 1.741 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -2.727 -0.345 2.280 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -0.991 -2.125 2.437 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -0.424 -2.995 1.635 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -0.979 -2.831 0.387 0.00 0.00 -0.129 NA ENDBRANCH 22 27 BRANCH 24 33 ATOM 33 C LIG 1 -5.653 -2.412 -2.712 0.00 0.00 +0.191 C BRANCH 33 34 ATOM 34 O LIG 1 -6.818 -2.073 -1.973 0.00 0.00 -0.390 OA ATOM 35 H LIG 1 -6.638 -1.251 -1.487 0.00 0.00 +0.210 HD ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 5 21 BRANCH 1 36 ATOM 36 N LIG 1 -0.219 4.166 0.184 0.00 0.00 -0.329 N ATOM 37 H LIG 1 0.757 4.390 0.403 0.00 0.00 +0.147 HD BRANCH 36 39 ATOM 38 C LIG 1 -0.971 5.944 1.659 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -1.080 4.466 1.322 0.00 0.00 +0.099 C ENDBRANCH 36 39 ENDBRANCH 1 36 TORSDOF 8