REMARK Name = BDB063326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.618 0.189 -0.815 0.00 0.00 +0.227 C ATOM 2 N LIG 1 -0.118 -0.735 0.078 0.00 0.00 -0.286 N ATOM 3 C LIG 1 1.198 -1.329 -0.159 0.00 0.00 +0.165 C ATOM 4 C LIG 1 1.191 -2.607 0.678 0.00 0.00 +0.070 C ATOM 5 C LIG 1 0.337 -2.220 1.874 0.00 0.00 +0.186 C ATOM 6 F LIG 1 1.112 -1.535 2.755 0.00 0.00 -0.244 F ATOM 7 C LIG 1 -0.720 -1.288 1.289 0.00 0.00 +0.145 C ATOM 8 O LIG 1 -0.009 0.396 -1.871 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -1.924 0.989 -0.480 0.00 0.00 +0.072 C ATOM 10 C LIG 1 -2.288 1.904 -1.708 0.00 0.00 +0.026 C ATOM 11 C LIG 1 -1.518 3.224 -1.708 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -1.891 4.067 -0.500 0.00 0.00 +0.249 C ATOM 13 F LIG 1 -2.915 4.899 -0.826 0.00 0.00 -0.206 F ATOM 14 F LIG 1 -0.842 4.866 -0.179 0.00 0.00 -0.206 F ATOM 15 C LIG 1 -2.307 3.250 0.714 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -1.594 1.897 0.752 0.00 0.00 +0.026 C BRANCH 9 21 ATOM 17 C LIG 1 -5.318 -1.770 -0.120 0.00 0.00 +0.155 A ATOM 18 C LIG 1 -5.098 -0.783 0.843 0.00 0.00 +0.165 A ATOM 19 F LIG 1 -5.926 -0.672 1.893 0.00 0.00 -0.202 F ATOM 20 C LIG 1 -4.027 0.109 0.750 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -3.121 0.029 -0.316 0.00 0.00 -0.030 A ATOM 22 C LIG 1 -3.358 -0.961 -1.293 0.00 0.00 +0.008 A ATOM 23 C LIG 1 -4.437 -1.851 -1.196 0.00 0.00 +0.049 A BRANCH 17 25 ATOM 24 C LIG 1 -6.697 -3.541 -0.914 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -6.398 -2.582 0.091 0.00 0.00 -0.492 OA ENDBRANCH 17 25 ENDBRANCH 9 21 ENDBRANCH 1 9 BRANCH 3 26 ATOM 26 C LIG 1 2.329 -0.357 0.270 0.00 0.00 +0.239 C ATOM 27 N LIG 1 3.580 -0.824 -0.077 0.00 0.00 -0.269 N ATOM 28 H LIG 1 3.664 -1.679 -0.610 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 2.097 0.696 0.860 0.00 0.00 -0.273 OA BRANCH 27 30 ATOM 30 C LIG 1 4.828 -0.241 0.161 0.00 0.00 +0.126 A ATOM 31 N LIG 1 5.839 -0.975 -0.352 0.00 0.00 -0.229 NA ATOM 32 C LIG 1 7.078 -0.467 -0.156 0.00 0.00 +0.110 A ATOM 33 C LIG 1 7.320 0.718 0.521 0.00 0.00 +0.084 A ATOM 34 N LIG 1 8.679 0.873 0.499 0.00 0.00 -0.275 N ATOM 35 H LIG 1 9.223 1.631 0.898 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 9.336 -0.118 -0.136 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 6.284 1.474 1.054 0.00 0.00 +0.032 A ATOM 38 C LIG 1 8.351 -0.932 -0.535 0.00 0.00 +0.162 A ATOM 39 C LIG 1 5.002 0.956 0.854 0.00 0.00 +0.046 A ENDBRANCH 27 30 ENDBRANCH 3 26 TORSDOF 5