REMARK Name = BDB064984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.085 -1.901 -1.387 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.994 -1.082 -1.042 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.466 -1.069 0.257 0.00 0.00 +0.035 A ATOM 4 C LIG 1 1.031 -1.899 1.222 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.111 -2.723 0.899 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.637 -2.722 -0.393 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.624 -0.212 0.496 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -0.983 0.309 -0.299 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -1.251 0.080 1.682 0.00 0.00 +0.312 C ATOM 10 N LIG 1 -2.367 0.925 1.594 0.00 0.00 -0.233 N ATOM 11 C LIG 1 -2.803 1.618 0.424 0.00 0.00 +0.171 A ATOM 12 C LIG 1 -3.923 2.453 0.497 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -4.332 3.168 -0.625 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -3.630 3.021 -1.811 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.547 2.162 -1.821 0.00 0.00 +0.113 A ATOM 16 O LIG 1 -4.662 2.620 1.638 0.00 0.00 -0.478 OA ATOM 17 C LIG 1 -4.504 1.554 2.608 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -5.422 0.312 2.415 0.00 0.00 +0.132 C ATOM 19 N LIG 1 -5.717 0.335 3.859 0.00 0.00 -0.308 NA ATOM 20 H LIG 1 -6.688 0.145 4.108 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.325 1.754 3.912 0.00 0.00 +0.132 C ATOM 22 N LIG 1 -2.122 1.463 -0.741 0.00 0.00 -0.236 NA ATOM 23 C LIG 1 -3.029 1.268 2.860 0.00 0.00 +0.167 C ATOM 24 O LIG 1 -0.881 -0.358 2.772 0.00 0.00 -0.252 OA ENDBRANCH 3 7 BRANCH 1 25 ATOM 25 C LIG 1 2.647 -1.834 -2.812 0.00 0.00 +0.204 C ATOM 26 F LIG 1 1.656 -1.388 -3.678 0.00 0.00 -0.230 F ATOM 27 C LIG 1 3.017 -3.217 -3.363 0.00 0.00 +0.059 C BRANCH 25 28 ATOM 28 C LIG 1 3.818 -0.817 -2.924 0.00 0.00 +0.344 C ATOM 29 F LIG 1 4.258 -0.782 -4.219 0.00 0.00 -0.193 F ATOM 30 F LIG 1 3.326 0.444 -2.698 0.00 0.00 -0.193 F BRANCH 28 33 ATOM 31 C LIG 1 4.805 0.940 -0.522 0.00 0.00 +0.152 C ATOM 32 N LIG 1 5.370 -0.308 -0.964 0.00 0.00 -0.316 N ATOM 33 C LIG 1 4.968 -1.103 -2.009 0.00 0.00 +0.206 A ATOM 34 N LIG 1 5.744 -2.173 -2.033 0.00 0.00 -0.128 NA ATOM 35 N LIG 1 6.647 -2.077 -1.004 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 6.420 -0.947 -0.380 0.00 0.00 +0.225 A ENDBRANCH 28 33 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4