REMARK Name = BDB038408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.936 0.179 1.260 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.630 -0.140 0.871 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.279 0.868 0.583 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -0.065 2.162 0.727 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -1.304 2.514 1.144 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.256 1.532 1.407 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.570 0.555 0.109 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.552 1.494 -0.197 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.576 2.708 -0.120 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.712 0.738 -0.690 0.00 0.00 +0.043 A ATOM 11 C LIG 1 4.935 1.223 -1.118 0.00 0.00 +0.019 A ATOM 12 C LIG 1 5.890 0.298 -1.554 0.00 0.00 -0.021 A ATOM 13 C LIG 1 5.581 -1.084 -1.539 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.333 -1.564 -1.094 0.00 0.00 +0.061 A ATOM 15 C LIG 1 3.401 -0.618 -0.675 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.006 -0.803 -0.167 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.011 -3.035 -1.106 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.226 -3.381 -2.160 0.00 0.00 -0.166 F ATOM 19 F LIG 1 3.340 -3.430 0.011 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.114 -3.830 -1.177 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 7.242 0.759 -2.034 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 8.255 0.284 -1.159 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 7.906 0.341 -0.253 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -3.250 -1.865 0.512 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -2.949 -0.875 1.482 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -3.640 -0.921 2.709 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -4.588 -1.914 2.975 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -4.863 -2.893 2.020 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -4.192 -2.870 0.795 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 -3.708 0.054 -1.918 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -2.777 -1.038 -1.832 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -2.583 -1.908 -0.788 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -1.650 -2.773 -1.140 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -1.209 -2.447 -2.400 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -1.898 -1.407 -2.804 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 -5.829 -3.916 2.295 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.621 -4.734 2.517 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 -1.572 4.000 1.279 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -2.907 4.608 0.918 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.473 4.556 2.356 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 8