REMARK Name = BDB007267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.850 0.256 -0.338 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -6.903 -0.204 -1.262 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.562 -0.351 -0.902 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -5.126 0.014 0.379 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.671 -0.147 0.791 0.00 0.00 +0.143 C ATOM 6 N LIG 1 -3.259 0.866 1.787 0.00 0.00 -0.243 N ATOM 7 C LIG 1 -4.134 1.295 2.779 0.00 0.00 +0.226 C ATOM 8 C LIG 1 -5.593 0.877 2.672 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -3.803 1.954 3.767 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -6.055 0.515 1.292 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -7.413 0.618 0.940 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.348 -1.588 1.209 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.483 -2.050 2.529 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.191 -3.379 2.857 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.762 -4.261 1.870 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.402 -5.893 2.278 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.621 -3.828 0.556 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.912 -2.501 0.229 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.876 1.250 1.750 0.00 0.00 +0.147 A ATOM 20 N LIG 1 -1.077 0.615 0.861 0.00 0.00 -0.235 NA ATOM 21 C LIG 1 0.232 0.985 0.829 0.00 0.00 +0.156 A ATOM 22 C LIG 1 0.798 1.966 1.643 0.00 0.00 +0.139 A ATOM 23 N LIG 1 -0.002 2.624 2.503 0.00 0.00 -0.235 NA ATOM 24 C LIG 1 -1.317 2.253 2.542 0.00 0.00 +0.157 A BRANCH 22 25 ATOM 25 N LIG 1 2.169 2.293 1.538 0.00 0.00 -0.317 N ATOM 26 C LIG 1 2.474 3.561 2.211 0.00 0.00 +0.130 C BRANCH 25 27 ATOM 27 C LIG 1 3.042 1.165 1.919 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 4.417 1.256 1.219 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.258 1.274 -0.315 0.00 0.00 +0.006 C ATOM 30 C LIG 1 5.522 0.790 -1.018 0.00 0.00 +0.019 C ATOM 31 C LIG 1 5.798 -0.694 -0.692 0.00 0.00 +0.057 C ATOM 32 C LIG 1 5.366 -1.067 0.746 0.00 0.00 +0.019 C ATOM 33 C LIG 1 5.353 0.126 1.697 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 7.162 -1.140 -1.018 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 7.494 -1.029 -2.449 0.00 0.00 +0.181 C ATOM 36 C LIG 1 8.789 -1.791 -2.777 0.00 0.00 +0.229 C ATOM 37 O LIG 1 8.942 -2.370 -3.852 0.00 0.00 -0.274 OA ATOM 38 N LIG 1 9.785 -1.712 -1.802 0.00 0.00 -0.302 N ATOM 39 C LIG 1 11.109 -2.218 -2.099 0.00 0.00 +0.132 C ATOM 40 C LIG 1 9.648 -0.687 -0.780 0.00 0.00 +0.123 C ATOM 41 C LIG 1 8.237 -0.639 -0.152 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 43 ATOM 42 C LIG 1 -10.134 0.729 0.169 0.00 0.00 +0.277 C ATOM 43 O LIG 1 -9.150 0.303 -0.764 0.00 0.00 -0.491 OA ENDBRANCH 1 43 BRANCH 2 44 ATOM 44 O LIG 1 -7.240 -0.614 -2.528 0.00 0.00 -0.486 OA BRANCH 44 45 ATOM 45 C LIG 1 -7.638 0.477 -3.375 0.00 0.00 +0.167 C ATOM 46 C LIG 1 -8.861 0.024 -4.165 0.00 0.00 +0.051 C ATOM 47 C LIG 1 -6.483 0.798 -4.319 0.00 0.00 +0.051 C ENDBRANCH 44 45 ENDBRANCH 2 44 TORSDOF 9