REMARK Name = BDB011035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.877 0.275 -0.001 0.00 0.00 +0.145 A ATOM 2 N LIG 1 -1.786 1.609 -0.160 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.886 2.314 -0.465 0.00 0.00 +0.219 A ATOM 4 C LIG 1 -4.131 1.747 -0.651 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -4.293 0.366 -0.493 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -3.118 -0.351 -0.155 0.00 0.00 +0.051 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 3.911 -0.816 1.918 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.791 -0.022 1.641 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.623 -0.602 1.121 0.00 0.00 +0.066 A ATOM 10 C LIG 1 1.556 -1.970 0.877 0.00 0.00 +0.078 A ATOM 11 N LIG 1 0.412 -2.575 0.351 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 -0.606 -1.819 0.099 0.00 0.00 +0.209 A ATOM 13 N LIG 1 -0.683 -0.460 0.317 0.00 0.00 -0.251 N ATOM 14 C LIG 1 2.670 -2.763 1.156 0.00 0.00 +0.029 A ATOM 15 C LIG 1 0.428 0.221 0.830 0.00 0.00 +0.267 A ATOM 16 O LIG 1 0.508 1.419 1.099 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 3.837 -2.195 1.673 0.00 0.00 +0.007 A BRANCH 7 18 ATOM 18 C LIG 1 5.173 -0.201 2.488 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 C LIG 1 7.462 0.781 -1.800 0.00 0.00 +0.009 C ATOM 20 C LIG 1 7.530 -0.008 -0.494 0.00 0.00 +0.000 C ATOM 21 C LIG 1 6.305 0.292 0.388 0.00 0.00 +0.088 C ATOM 22 N LIG 1 6.367 -0.452 1.660 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 7.580 -0.096 2.412 0.00 0.00 +0.085 C ATOM 24 C LIG 1 8.842 -0.405 1.607 0.00 0.00 +0.016 C ATOM 25 C LIG 1 8.827 0.303 0.258 0.00 0.00 +0.006 C ENDBRANCH 18 22 ENDBRANCH 7 18 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 -5.701 -0.396 -0.676 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -6.248 -1.126 0.612 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -7.098 0.136 0.892 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -8.468 -0.090 1.497 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -7.050 0.404 -0.631 0.00 0.00 +0.022 C BRANCH 26 31 ATOM 31 C LIG 1 -5.592 -1.382 -1.907 0.00 0.00 +0.148 A ATOM 32 N LIG 1 -5.825 -1.124 -3.228 0.00 0.00 -0.259 N ATOM 33 C LIG 1 -5.564 -2.284 -3.890 0.00 0.00 +0.229 A ATOM 34 N LIG 1 -5.162 -3.195 -3.036 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -5.174 -2.626 -1.786 0.00 0.00 -0.134 NA BRANCH 32 36 ATOM 36 C LIG 1 -6.261 0.103 -3.841 0.00 0.00 +0.450 C ATOM 37 F LIG 1 -5.709 1.188 -3.243 0.00 0.00 -0.185 F ATOM 38 F LIG 1 -7.607 0.239 -3.738 0.00 0.00 -0.185 F ENDBRANCH 32 36 ENDBRANCH 26 31 ENDBRANCH 5 26 BRANCH 3 39 ATOM 39 O LIG 1 -2.794 3.679 -0.621 0.00 0.00 -0.445 OA BRANCH 39 40 ATOM 40 C LIG 1 -1.503 4.165 -0.276 0.00 0.00 +0.445 C ATOM 41 F LIG 1 -1.553 5.518 -0.440 0.00 0.00 -0.204 F ENDBRANCH 39 40 ENDBRANCH 3 39 TORSDOF 8