REMARK Name = BDB020463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.505 -0.223 -1.077 0.00 0.00 +0.075 A ATOM 2 N LIG 1 2.299 -0.128 -1.676 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 1.204 -0.392 -0.920 0.00 0.00 +0.120 A ATOM 4 C LIG 1 1.223 -0.741 0.440 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.500 -0.828 1.033 0.00 0.00 -0.014 A ATOM 6 C LIG 1 2.614 -1.172 2.390 0.00 0.00 +0.008 A ATOM 7 C LIG 1 1.482 -1.432 3.161 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.217 -1.344 2.587 0.00 0.00 +0.011 A ATOM 9 C LIG 1 0.072 -0.993 1.235 0.00 0.00 +0.011 A ATOM 10 C LIG 1 3.643 -0.568 0.263 0.00 0.00 +0.037 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.266 -0.904 0.682 0.00 0.00 +0.094 A ATOM 12 C LIG 1 -2.278 -0.078 1.129 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -2.400 0.916 2.204 0.00 0.00 +0.163 C ATOM 14 N LIG 1 -3.397 1.922 1.855 0.00 0.00 -0.292 N ATOM 15 C LIG 1 -4.540 1.633 1.117 0.00 0.00 +0.236 C ATOM 16 C LIG 1 -4.618 0.289 0.417 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -5.489 2.416 1.032 0.00 0.00 -0.274 OA ATOM 18 N LIG 1 -3.332 -0.353 0.305 0.00 0.00 -0.320 N ATOM 19 C LIG 1 -2.941 -1.300 -0.596 0.00 0.00 +0.114 A ATOM 20 N LIG 1 -1.688 -1.646 -0.394 0.00 0.00 -0.232 NA BRANCH 19 21 ATOM 21 C LIG 1 -3.819 -1.900 -1.728 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -4.966 -2.806 -1.363 0.00 0.00 +0.012 C ATOM 23 C LIG 1 -3.735 -3.378 -2.002 0.00 0.00 +0.012 C ENDBRANCH 19 21 BRANCH 14 24 ATOM 24 C LIG 1 -3.264 3.243 2.479 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 -2.314 4.157 1.709 0.00 0.00 +0.232 C ATOM 26 F LIG 1 -2.820 4.415 0.474 0.00 0.00 -0.247 F ENDBRANCH 24 25 ENDBRANCH 14 24 ENDBRANCH 9 11 BRANCH 1 31 ATOM 27 C LIG 1 8.107 0.464 -2.859 0.00 0.00 +0.172 C ATOM 28 N LIG 1 6.674 0.367 -2.717 0.00 0.00 -0.274 N ATOM 29 N LIG 1 5.889 0.630 -3.775 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 4.654 0.442 -3.299 0.00 0.00 +0.144 A ATOM 31 C LIG 1 4.641 0.065 -1.935 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.979 0.026 -1.592 0.00 0.00 +0.118 A ENDBRANCH 1 31 TORSDOF 5