REMARK Name = BDB065060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.815 -1.655 0.045 0.00 0.00 +0.168 A ATOM 2 N LIG 1 -2.926 -1.502 -0.955 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -2.199 -2.583 -1.299 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -2.361 -3.813 -0.679 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.575 -4.969 -1.077 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.682 -4.835 -2.061 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.469 -3.539 -2.755 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.371 -3.496 -3.651 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -3.309 -3.861 0.323 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.240 -2.467 -2.341 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -4.047 -2.804 0.705 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -4.051 0.578 1.167 0.00 0.00 +0.134 A ATOM 13 C LIG 1 -4.600 -0.490 0.426 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -5.946 -0.411 0.044 0.00 0.00 +0.138 A ATOM 15 F LIG 1 -6.505 -1.400 -0.672 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -6.739 0.685 0.373 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -6.190 1.734 1.101 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -4.852 1.682 1.497 0.00 0.00 +0.046 A BRANCH 12 20 ATOM 19 C LIG 1 -2.139 1.512 2.264 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -2.734 0.447 1.534 0.00 0.00 -0.494 OA ENDBRANCH 12 20 ENDBRANCH 1 13 BRANCH 10 21 ATOM 21 C LIG 1 -1.040 -1.166 -2.970 0.00 0.00 +0.162 C BRANCH 21 22 ATOM 22 C LIG 1 0.001 -0.327 -2.258 0.00 0.00 -0.028 A ATOM 23 C LIG 1 1.364 -0.486 -2.543 0.00 0.00 +0.006 A ATOM 24 C LIG 1 2.325 0.278 -1.876 0.00 0.00 +0.012 A ATOM 25 C LIG 1 1.944 1.201 -0.895 0.00 0.00 +0.017 A ATOM 26 C LIG 1 0.582 1.377 -0.627 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -0.380 0.616 -1.295 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 2.929 2.006 -0.173 0.00 0.00 +0.142 A ATOM 29 N LIG 1 3.990 1.519 0.569 0.00 0.00 -0.327 N ATOM 30 C LIG 1 4.694 2.596 1.046 0.00 0.00 +0.120 A ATOM 31 C LIG 1 4.006 3.721 0.633 0.00 0.00 +0.162 A ATOM 32 N LIG 1 2.901 3.326 -0.103 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 4.319 5.164 0.899 0.00 0.00 +0.436 C ATOM 34 F LIG 1 3.343 5.781 1.618 0.00 0.00 -0.164 F ATOM 35 F LIG 1 4.488 5.881 -0.242 0.00 0.00 -0.164 F ATOM 36 F LIG 1 5.470 5.307 1.617 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 4.298 0.121 0.866 0.00 0.00 +0.083 C ATOM 38 C LIG 1 4.315 -0.151 2.372 0.00 0.00 +0.030 C ATOM 39 C LIG 1 5.610 -0.310 0.211 0.00 0.00 +0.030 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 10 21 TORSDOF 7