REMARK Name = BDB037560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.097 -3.117 -0.298 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.788 -2.030 -0.371 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.815 -1.003 0.557 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.473 0.066 -0.107 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.128 -0.403 -1.184 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 -0.047 -1.192 1.826 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.349 -1.704 1.438 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.765 -1.699 -1.289 0.00 0.00 -0.242 N ATOM 9 C LIG 1 1.172 -3.031 0.637 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.009 -3.933 0.738 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.398 1.511 0.179 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.559 2.262 0.096 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -2.586 3.658 0.448 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.026 4.082 0.569 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.871 2.859 0.308 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.110 4.155 1.760 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.907 1.826 -0.334 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.314 2.024 0.459 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.045 1.868 -1.808 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.181 1.915 -2.961 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 -0.241 -0.016 2.757 0.00 0.00 -0.037 A ATOM 22 C LIG 1 0.801 0.853 3.118 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.576 1.915 4.000 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -0.686 2.105 4.543 0.00 0.00 +0.123 A ATOM 25 F LIG 1 -0.899 3.124 5.386 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -1.730 1.248 4.230 0.00 0.00 +0.038 A ATOM 27 C LIG 1 -1.509 0.191 3.346 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 7 28 ATOM 28 N LIG 1 2.118 -0.760 0.615 0.00 0.00 -0.299 N ATOM 29 H LIG 1 1.680 -0.402 -0.225 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 3.476 -0.608 0.761 0.00 0.00 +0.245 C ATOM 31 O LIG 1 4.137 -1.179 1.617 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 4.133 0.313 -0.205 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.462 0.059 -0.570 0.00 0.00 +0.025 A ATOM 34 C LIG 1 6.128 0.903 -1.473 0.00 0.00 +0.056 A ATOM 35 C LIG 1 5.438 2.003 -2.007 0.00 0.00 +0.012 A ATOM 36 C LIG 1 4.120 2.269 -1.629 0.00 0.00 +0.001 A ATOM 37 C LIG 1 3.468 1.430 -0.725 0.00 0.00 +0.013 A BRANCH 34 38 ATOM 38 C LIG 1 7.548 0.607 -1.887 0.00 0.00 +0.417 C ATOM 39 F LIG 1 8.305 0.093 -0.879 0.00 0.00 -0.166 F ATOM 40 F LIG 1 8.218 1.709 -2.329 0.00 0.00 -0.166 F ATOM 41 F LIG 1 7.610 -0.297 -2.903 0.00 0.00 -0.166 F ENDBRANCH 34 38 ENDBRANCH 30 32 ENDBRANCH 7 28 BRANCH 8 42 ATOM 42 C LIG 1 -2.358 -2.573 -2.312 0.00 0.00 +0.160 C ATOM 43 C LIG 1 -3.607 -2.009 -3.005 0.00 0.00 +0.189 C ATOM 44 O LIG 1 -4.354 -3.216 -2.692 0.00 0.00 -0.375 OA ATOM 45 C LIG 1 -3.348 -3.582 -1.716 0.00 0.00 +0.189 C ENDBRANCH 8 42 BRANCH 1 47 ATOM 46 C LIG 1 1.058 -3.951 -2.420 0.00 0.00 +0.025 C ATOM 47 C LIG 1 0.161 -4.243 -1.225 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8