REMARK Name = BDB003466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.094 0.196 0.523 0.00 0.00 +0.115 A ATOM 2 C LIG 1 -3.001 -0.315 1.224 0.00 0.00 +0.175 A ATOM 3 F LIG 1 -2.307 -1.370 0.779 0.00 0.00 -0.201 F ATOM 4 C LIG 1 -2.680 0.317 2.420 0.00 0.00 +0.108 A ATOM 5 C LIG 1 -3.430 1.388 2.896 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -2.817 1.734 4.118 0.00 0.00 +0.144 A ATOM 7 N LIG 1 -1.771 0.958 4.408 0.00 0.00 -0.178 NA ATOM 8 C LIG 1 -4.519 1.843 2.150 0.00 0.00 +0.123 A ATOM 9 N LIG 1 -1.681 0.127 3.341 0.00 0.00 -0.256 N ATOM 10 N LIG 1 -4.840 1.243 0.973 0.00 0.00 -0.251 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.720 -0.226 -1.906 0.00 0.00 +0.227 A ATOM 12 C LIG 1 -4.501 -0.368 -0.762 0.00 0.00 +0.086 A ATOM 13 C LIG 1 -5.675 -1.104 -0.929 0.00 0.00 +0.060 A ATOM 14 N LIG 1 -6.003 -1.645 -2.133 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -5.170 -1.432 -3.158 0.00 0.00 +0.225 A ATOM 16 N LIG 1 -4.027 -0.747 -3.109 0.00 0.00 -0.201 NA BRANCH 13 17 ATOM 17 C LIG 1 -6.622 -1.386 0.228 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -7.633 -0.341 0.643 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -8.100 -1.598 -0.024 0.00 0.00 +0.010 C ENDBRANCH 13 17 BRANCH 11 21 ATOM 20 C LIG 1 -1.839 0.664 -3.006 0.00 0.00 +0.279 C ATOM 21 O LIG 1 -2.541 0.491 -1.780 0.00 0.00 -0.479 OA ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 9 22 ATOM 22 C LIG 1 -0.599 -0.849 3.281 0.00 0.00 +0.179 C BRANCH 22 23 ATOM 23 C LIG 1 0.535 -0.375 2.405 0.00 0.00 -0.026 A ATOM 24 C LIG 1 0.805 -1.000 1.180 0.00 0.00 +0.006 A ATOM 25 C LIG 1 1.849 -0.550 0.364 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.653 0.525 0.759 0.00 0.00 +0.017 A ATOM 27 C LIG 1 2.372 1.158 1.977 0.00 0.00 +0.012 A ATOM 28 C LIG 1 1.331 0.710 2.795 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 3.752 1.025 -0.067 0.00 0.00 +0.142 A ATOM 30 N LIG 1 4.651 0.267 -0.745 0.00 0.00 -0.326 N ATOM 31 C LIG 1 4.927 -1.146 -0.884 0.00 0.00 +0.130 C ATOM 32 C LIG 1 6.214 -1.153 -1.715 0.00 0.00 -0.006 C ATOM 33 C LIG 1 7.283 -2.192 -1.451 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.610 0.291 -2.049 0.00 0.00 +0.064 C ATOM 35 C LIG 1 6.473 -2.263 -2.712 0.00 0.00 +0.009 C ATOM 36 C LIG 1 5.573 1.071 -1.349 0.00 0.00 +0.051 A ATOM 37 C LIG 1 5.209 2.361 -1.051 0.00 0.00 +0.165 A ATOM 38 N LIG 1 4.070 2.304 -0.235 0.00 0.00 -0.223 NA BRANCH 37 39 ATOM 39 C LIG 1 5.858 3.653 -1.449 0.00 0.00 +0.436 C ATOM 40 F LIG 1 5.056 4.413 -2.240 0.00 0.00 -0.164 F ATOM 41 F LIG 1 7.006 3.446 -2.155 0.00 0.00 -0.164 F ATOM 42 F LIG 1 6.201 4.415 -0.378 0.00 0.00 -0.164 F ENDBRANCH 37 39 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7