REMARK Name = BDB007963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.713 -2.386 -0.176 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -2.022 -2.105 0.227 0.00 0.00 -0.289 N ATOM 3 O LIG 1 -0.497 -3.185 -1.091 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.426 -1.670 0.587 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 3.651 0.373 -0.873 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.186 0.143 0.573 0.00 0.00 +0.027 C ATOM 7 C LIG 1 2.829 -1.322 0.822 0.00 0.00 +0.085 C ATOM 8 N LIG 1 1.756 -1.815 -0.050 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.783 -1.233 -1.402 0.00 0.00 +0.085 C ATOM 10 C LIG 1 3.173 -0.747 -1.811 0.00 0.00 +0.027 C BRANCH 5 12 ATOM 11 O LIG 1 5.910 -0.473 -1.001 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 5.171 0.507 -0.916 0.00 0.00 +0.166 C BRANCH 12 13 ATOM 13 C LIG 1 5.795 1.864 -0.828 0.00 0.00 +0.018 A ATOM 14 C LIG 1 7.137 2.000 -1.222 0.00 0.00 +0.014 A ATOM 15 C LIG 1 7.771 3.243 -1.159 0.00 0.00 +0.039 A ATOM 16 C LIG 1 7.066 4.346 -0.699 0.00 0.00 +0.123 A ATOM 17 F LIG 1 7.669 5.540 -0.638 0.00 0.00 -0.205 F ATOM 18 C LIG 1 5.740 4.230 -0.295 0.00 0.00 +0.039 A ATOM 19 C LIG 1 5.101 2.987 -0.356 0.00 0.00 +0.014 A ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 20 ATOM 20 C LIG 1 -3.117 -2.685 -0.554 0.00 0.00 +0.146 C BRANCH 20 21 ATOM 21 C LIG 1 -3.841 -3.775 0.188 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -5.058 -3.518 0.823 0.00 0.00 +0.128 A ATOM 23 F LIG 1 -5.571 -2.277 0.798 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -5.740 -4.516 1.514 0.00 0.00 +0.038 A ATOM 25 C LIG 1 -5.199 -5.799 1.580 0.00 0.00 +0.003 A ATOM 26 C LIG 1 -3.978 -6.072 0.960 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.300 -5.066 0.269 0.00 0.00 +0.008 A ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 2 28 ATOM 28 C LIG 1 -2.367 -1.251 1.371 0.00 0.00 +0.182 C BRANCH 28 29 ATOM 29 C LIG 1 -2.789 0.138 0.907 0.00 0.00 +0.127 A ATOM 30 N LIG 1 -4.123 0.313 0.652 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -4.792 -0.437 0.779 0.00 0.00 +0.170 HD ATOM 32 C LIG 1 -4.633 1.500 0.215 0.00 0.00 +0.257 A ATOM 33 O LIG 1 -5.828 1.666 0.007 0.00 0.00 -0.267 OA ATOM 34 C LIG 1 -3.642 2.571 0.023 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -4.119 3.895 -0.480 0.00 0.00 +0.202 C ATOM 36 O LIG 1 -3.031 4.740 -0.893 0.00 0.00 -0.375 OA ATOM 37 C LIG 1 -1.974 4.755 0.068 0.00 0.00 +0.166 C ATOM 38 C LIG 1 -1.323 3.375 0.149 0.00 0.00 +0.084 C ATOM 39 C LIG 1 -2.360 2.293 0.308 0.00 0.00 +0.056 A ATOM 40 N LIG 1 -1.908 1.075 0.755 0.00 0.00 -0.237 NA ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 8