REMARK Name = BDB026302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.464 -0.882 -1.240 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.739 -0.578 -0.064 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.342 -0.443 -0.126 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.370 -0.593 -1.331 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.371 -0.889 -2.480 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.242 -1.034 -3.665 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.755 -1.031 -2.439 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.067 -0.050 -3.362 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -6.097 -0.128 -1.830 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.752 -1.385 -1.361 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.364 -1.174 -0.044 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.830 -2.556 -1.319 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.720 -3.231 -2.692 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.419 -2.274 -0.729 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.847 -1.054 -1.314 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.687 0.148 -1.235 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.838 -0.442 -1.368 0.00 0.00 -0.012 A ATOM 18 C LIG 1 2.469 0.656 -0.761 0.00 0.00 +0.047 A ATOM 19 C LIG 1 3.859 0.795 -0.791 0.00 0.00 +0.136 A ATOM 20 F LIG 1 4.392 1.868 -0.186 0.00 0.00 -0.205 F ATOM 21 C LIG 1 4.666 -0.151 -1.423 0.00 0.00 +0.072 A ATOM 22 C LIG 1 4.048 -1.252 -2.030 0.00 0.00 +0.016 A ATOM 23 C LIG 1 2.655 -1.392 -2.002 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 6.152 -0.051 -1.479 0.00 0.00 +0.247 C ATOM 25 N LIG 1 6.734 1.082 -0.952 0.00 0.00 -0.308 N ATOM 26 H LIG 1 6.149 1.735 -0.442 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 6.804 -0.962 -1.981 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 8.180 1.226 -0.835 0.00 0.00 +0.073 C ATOM 29 C LIG 1 8.570 2.713 -0.793 0.00 0.00 +0.022 C ATOM 30 C LIG 1 8.665 3.236 0.636 0.00 0.00 +0.002 C ATOM 31 C LIG 1 9.726 2.486 1.445 0.00 0.00 +0.000 C ATOM 32 C LIG 1 9.957 1.052 0.969 0.00 0.00 +0.002 C ATOM 33 C LIG 1 8.689 0.440 0.387 0.00 0.00 +0.022 C ENDBRANCH 25 28 ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 34 ATOM 34 N LIG 1 -2.459 -0.416 1.141 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -3.458 -0.519 1.035 0.00 0.00 +0.155 HD ATOM 36 C LIG 1 -1.972 -0.132 2.395 0.00 0.00 +0.250 C ATOM 37 O LIG 1 -0.811 0.019 2.744 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 -3.060 -0.042 3.407 0.00 0.00 +0.065 A ATOM 39 C LIG 1 -3.886 1.145 3.591 0.00 0.00 +0.073 A ATOM 40 C LIG 1 -4.850 1.135 4.533 0.00 0.00 +0.083 A ATOM 41 C LIG 1 -5.072 -0.067 5.375 0.00 0.00 +0.249 A ATOM 42 O LIG 1 -5.957 -0.093 6.220 0.00 0.00 -0.268 OA ATOM 43 N LIG 1 -4.234 -1.127 5.134 0.00 0.00 -0.328 N ATOM 44 H LIG 1 -4.371 -1.940 5.726 0.00 0.00 +0.168 HD ATOM 45 C LIG 1 -3.245 -1.122 4.182 0.00 0.00 +0.099 A BRANCH 39 46 ATOM 46 C LIG 1 -3.620 2.343 2.733 0.00 0.00 +0.418 C ATOM 47 F LIG 1 -4.399 3.403 3.072 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -3.888 2.079 1.428 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -2.336 2.765 2.805 0.00 0.00 -0.166 F ENDBRANCH 39 46 ENDBRANCH 36 38 ENDBRANCH 2 34 TORSDOF 7