REMARK Name = BDB022638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.630 -0.334 -1.039 0.00 0.00 +0.142 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.982 0.295 -2.128 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.856 -0.091 -1.386 0.00 0.00 +0.149 A ATOM 4 F LIG 1 2.042 -0.669 -0.186 0.00 0.00 -0.203 F ATOM 5 C LIG 1 0.553 0.108 -1.857 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.386 0.692 -3.119 0.00 0.00 +0.008 A ATOM 7 C LIG 1 1.497 1.081 -3.870 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.791 0.886 -3.376 0.00 0.00 +0.026 A BRANCH 2 10 ATOM 9 C LIG 1 5.493 0.397 -2.035 0.00 0.00 +0.238 C ATOM 10 N LIG 1 4.243 0.051 -1.549 0.00 0.00 -0.282 N ATOM 11 H LIG 1 4.227 -0.344 -0.614 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 5.723 0.892 -3.137 0.00 0.00 -0.273 OA BRANCH 9 15 ATOM 13 C LIG 1 5.925 0.950 0.958 0.00 0.00 +0.239 C ATOM 14 N LIG 1 6.356 -0.218 0.322 0.00 0.00 -0.286 N ATOM 15 C LIG 1 6.638 -0.118 -1.125 0.00 0.00 +0.162 C ATOM 16 C LIG 1 7.981 0.584 -1.361 0.00 0.00 +0.032 C ATOM 17 C LIG 1 9.010 0.217 -0.279 0.00 0.00 +0.004 C ATOM 18 C LIG 1 8.684 -1.119 0.393 0.00 0.00 +0.019 C ATOM 19 C LIG 1 7.277 -1.128 1.019 0.00 0.00 +0.109 C ATOM 20 O LIG 1 5.767 2.016 0.372 0.00 0.00 -0.271 OA BRANCH 13 22 ATOM 21 C LIG 1 5.390 1.889 3.161 0.00 0.00 +0.013 C ATOM 22 C LIG 1 5.556 0.806 2.392 0.00 0.00 +0.060 C ENDBRANCH 13 22 ENDBRANCH 9 15 ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 N LIG 1 -1.565 0.757 -0.878 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -1.148 1.670 -0.691 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.790 0.578 -0.267 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -3.420 1.706 0.271 0.00 0.00 -0.183 N ATOM 27 C LIG 1 -4.626 1.610 0.898 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -4.933 2.890 1.317 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.818 3.666 0.892 0.00 0.00 +0.141 A ATOM 30 N LIG 1 -5.242 0.404 0.991 0.00 0.00 -0.195 NA ATOM 31 C LIG 1 -4.622 -0.627 0.470 0.00 0.00 +0.220 A ATOM 32 N LIG 1 -2.883 2.947 0.262 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -3.390 -0.571 -0.152 0.00 0.00 -0.181 NA BRANCH 28 34 ATOM 34 C LIG 1 -6.154 3.341 2.058 0.00 0.00 +0.018 C ATOM 35 C LIG 1 -6.931 4.402 1.278 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -5.804 3.851 3.458 0.00 0.00 +0.012 C ENDBRANCH 28 34 BRANCH 31 37 ATOM 37 N LIG 1 -5.256 -1.831 0.568 0.00 0.00 -0.310 N ATOM 38 H LIG 1 -6.059 -1.793 1.185 0.00 0.00 +0.149 HD BRANCH 37 39 ATOM 39 C LIG 1 -4.607 -3.116 0.374 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -5.380 -4.200 1.136 0.00 0.00 +0.050 C ATOM 41 C LIG 1 -5.078 -5.562 0.538 0.00 0.00 +0.161 C ATOM 42 O LIG 1 -5.473 -5.673 -0.829 0.00 0.00 -0.380 OA ATOM 43 C LIG 1 -5.565 -4.438 -1.540 0.00 0.00 +0.161 C ATOM 44 C LIG 1 -4.493 -3.447 -1.120 0.00 0.00 +0.050 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9