REMARK Name = BDB026169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.188 0.527 0.166 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.917 -0.805 0.552 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.369 -1.179 0.953 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.418 -0.241 1.001 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.122 1.079 0.626 0.00 0.00 +0.134 A ATOM 6 F LIG 1 2.065 2.034 0.680 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.153 1.463 0.211 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.037 0.514 -1.962 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.960 1.589 -2.158 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.415 2.822 -1.458 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.528 3.936 -2.403 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.553 3.162 -0.294 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.257 4.159 0.636 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.160 1.910 0.545 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.500 0.852 -0.259 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.564 1.069 -1.722 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.773 -0.636 1.420 0.00 0.00 +0.079 A ATOM 18 N LIG 1 3.785 -0.142 0.676 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 5.047 -0.459 1.001 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.340 -1.269 2.031 0.00 0.00 -0.223 NA ATOM 21 C LIG 1 4.317 -1.757 2.753 0.00 0.00 +0.116 A ATOM 22 C LIG 1 3.003 -1.470 2.493 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 N LIG 1 6.083 0.039 0.231 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.430 -0.076 0.799 0.00 0.00 +0.139 C ATOM 25 C LIG 1 8.442 0.638 -0.122 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.863 0.508 0.410 0.00 0.00 +0.039 C ATOM 27 O LIG 1 8.164 2.044 -0.275 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 6.768 2.367 -0.174 0.00 0.00 +0.179 C ATOM 29 C LIG 1 5.830 1.225 -0.595 0.00 0.00 +0.136 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.017 -1.686 0.499 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.856 -1.220 0.154 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.078 -2.993 0.907 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.194 -3.654 1.436 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.430 -3.587 0.705 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.994 -3.896 -0.604 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.227 -4.437 -0.677 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.006 -4.718 0.555 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.131 -5.195 0.497 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.381 -4.409 1.737 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.906 -4.616 2.580 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.124 -3.863 1.821 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.170 -3.638 -1.827 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.021 -2.308 -2.051 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.740 -4.149 -2.950 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.930 -4.176 -1.745 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6