REMARK Name = BDB065261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.411 0.715 0.105 0.00 0.00 -0.323 N ATOM 2 C LIG 1 0.981 0.677 -0.062 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.261 -0.625 -0.433 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.575 -1.019 -0.724 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.605 -0.074 -0.625 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.307 1.242 -0.253 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.125 -1.364 -0.457 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 1.995 1.645 0.029 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.876 -0.598 -0.047 0.00 0.00 +0.135 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.972 -0.451 -0.917 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.660 -1.472 -0.298 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.340 -2.458 0.752 0.00 0.00 +0.090 C ATOM 13 O LIG 1 6.921 -1.534 -0.806 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.086 -0.550 -1.762 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 5.914 0.093 -1.830 0.00 0.00 +0.088 A ATOM 16 C LIG 1 5.740 1.213 -2.784 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.291 -1.171 0.167 0.00 0.00 +0.097 C ATOM 18 N LIG 1 -2.407 -2.592 -0.282 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -3.618 -2.804 -0.970 0.00 0.00 +0.221 C ATOM 20 O LIG 1 -4.111 -3.848 -1.373 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.346 -1.496 -1.069 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -3.257 -0.482 -0.814 0.00 0.00 +0.043 C ATOM 23 C LIG 1 -2.778 -1.077 1.630 0.00 0.00 +0.040 C BRANCH 18 24 ATOM 24 C LIG 1 -1.573 -3.682 0.157 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -1.606 -4.922 -0.501 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -0.802 -5.983 -0.082 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -0.857 -7.150 -0.741 0.00 0.00 -0.202 F ATOM 28 C LIG 1 0.053 -5.837 0.997 0.00 0.00 +0.159 A ATOM 29 F LIG 1 0.826 -6.855 1.397 0.00 0.00 -0.202 F ATOM 30 C LIG 1 0.118 -4.626 1.666 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -0.688 -3.560 1.246 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.342 4.542 0.292 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -3.063 3.427 1.049 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -2.176 2.194 1.290 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -1.098 2.006 0.214 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.540 2.556 -1.151 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -1.902 4.049 -1.096 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -1.423 5.847 2.067 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -1.162 4.944 0.999 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5