REMARK Name = BDB036019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.828 -1.690 -0.971 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.097 -0.943 -0.040 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.400 0.042 0.609 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.217 -1.586 0.086 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.291 -1.213 0.871 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.455 -1.994 0.815 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.487 -3.134 -0.023 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.381 -3.504 -0.816 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.245 -2.703 -0.742 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.069 -2.841 -1.441 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.153 0.050 -1.430 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.819 -0.239 -1.060 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.154 -1.426 -1.410 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.845 -2.348 -2.202 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.163 -2.107 -2.588 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.805 -0.933 -2.196 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 4.904 1.402 -0.977 0.00 0.00 +0.056 C ATOM 18 C LIG 1 4.072 2.727 -0.821 0.00 0.00 +0.022 C ATOM 19 C LIG 1 4.420 3.057 -2.291 0.00 0.00 -0.012 C ATOM 20 C LIG 1 4.646 4.517 -2.623 0.00 0.00 +0.007 C ATOM 21 C LIG 1 5.683 2.186 -2.104 0.00 0.00 +0.022 C BRANCH 17 24 ATOM 22 C LIG 1 4.062 0.727 2.069 0.00 0.00 +0.151 C ATOM 23 N LIG 1 5.403 0.818 1.559 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.809 1.102 0.283 0.00 0.00 +0.144 A ATOM 25 N LIG 1 7.126 1.064 0.239 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 7.587 0.762 1.500 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 6.541 0.614 2.278 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -2.417 -4.713 -1.711 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.433 -5.605 -1.409 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.586 -5.405 -1.652 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.235 -4.388 -3.020 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.655 -1.634 1.670 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.097 -0.249 1.470 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 -5.996 0.188 2.549 0.00 0.00 +0.117 C ATOM 35 C LIG 1 -6.575 1.597 2.268 0.00 0.00 +0.146 C ATOM 36 O LIG 1 -7.287 1.673 1.013 0.00 0.00 -0.373 OA ATOM 37 C LIG 1 -7.147 0.509 0.193 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -5.701 -0.014 0.142 0.00 0.00 +0.113 C BRANCH 35 39 ATOM 39 C LIG 1 -5.512 2.704 2.269 0.00 0.00 +0.151 C BRANCH 39 40 ATOM 40 C LIG 1 -4.920 2.879 3.598 0.00 0.00 +0.065 C ATOM 41 N LIG 1 -4.467 3.002 4.659 0.00 0.00 -0.196 NA ENDBRANCH 39 40 ENDBRANCH 35 39 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8