REMARK Name = BDB034362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.052 -0.851 0.618 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.734 -1.618 -0.512 0.00 0.00 +0.032 A ATOM 3 C LIG 1 3.432 -1.985 -0.828 0.00 0.00 +0.073 A ATOM 4 C LIG 1 2.370 -1.563 0.007 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.041 -1.935 -0.361 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.886 -2.773 -1.466 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.997 -3.130 -2.207 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.697 -0.802 1.157 0.00 0.00 +0.012 A ATOM 9 N LIG 1 3.251 -2.739 -1.920 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 4.014 -0.449 1.456 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.048 -1.564 0.446 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.107 -0.676 0.915 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.440 -1.709 0.015 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -1.819 -0.630 -1.001 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.242 -0.801 -1.539 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.284 -0.808 -0.512 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -5.167 -1.089 -0.942 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.494 0.517 0.084 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -5.632 0.489 1.069 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.754 1.289 0.925 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -6.988 2.171 -0.087 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -8.277 2.694 0.291 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -8.792 2.124 1.509 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -7.788 1.266 1.836 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -7.767 0.450 2.946 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -6.652 -0.369 3.127 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.595 -0.349 2.200 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 6.484 -0.464 0.907 0.00 0.00 +0.071 C BRANCH 28 34 ATOM 29 F LIG 1 7.906 4.511 -1.372 0.00 0.00 -0.205 F ATOM 30 C LIG 1 7.570 3.339 -0.819 0.00 0.00 +0.125 A ATOM 31 C LIG 1 7.253 3.286 0.531 0.00 0.00 +0.058 A ATOM 32 C LIG 1 6.903 2.064 1.111 0.00 0.00 +0.047 A ATOM 33 CL LIG 1 6.525 2.075 2.797 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 6.871 0.887 0.342 0.00 0.00 -0.025 A ATOM 35 C LIG 1 7.197 0.974 -1.027 0.00 0.00 +0.008 A ATOM 36 C LIG 1 7.546 2.196 -1.604 0.00 0.00 +0.039 A ENDBRANCH 28 34 ENDBRANCH 1 28 TORSDOF 9