REMARK Name = BDB055724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.323 -0.865 -1.422 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.047 -1.913 -0.845 0.00 0.00 +0.247 C ATOM 3 N LIG 1 -1.018 -2.744 -0.330 0.00 0.00 -0.303 N ATOM 4 H LIG 1 -0.731 -3.451 0.341 0.00 0.00 +0.150 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.376 -2.319 -0.672 0.00 0.00 +0.072 A ATOM 6 C LIG 1 1.761 -3.501 -0.037 0.00 0.00 +0.135 A ATOM 7 F LIG 1 0.850 -4.348 0.467 0.00 0.00 -0.205 F ATOM 8 C LIG 1 3.106 -3.837 0.100 0.00 0.00 +0.039 A ATOM 9 C LIG 1 4.092 -2.990 -0.404 0.00 0.00 +0.007 A ATOM 10 C LIG 1 3.735 -1.800 -1.053 0.00 0.00 -0.041 A ATOM 11 C LIG 1 2.375 -1.470 -1.176 0.00 0.00 +0.020 A BRANCH 10 12 ATOM 12 C LIG 1 4.799 -0.863 -1.581 0.00 0.00 +0.093 C BRANCH 12 13 ATOM 13 C LIG 1 5.316 0.164 -0.578 0.00 0.00 +0.074 A ATOM 14 C LIG 1 6.289 1.183 -1.054 0.00 0.00 +0.011 A ATOM 15 C LIG 1 6.746 2.116 -0.126 0.00 0.00 +0.050 A ATOM 16 C LIG 1 7.662 3.107 -0.501 0.00 0.00 +0.014 A ATOM 17 C LIG 1 8.124 3.161 -1.815 0.00 0.00 +0.001 A ATOM 18 C LIG 1 7.673 2.228 -2.749 0.00 0.00 +0.001 A ATOM 19 C LIG 1 6.259 2.048 1.260 0.00 0.00 +0.272 A ATOM 20 O LIG 1 6.632 2.849 2.110 0.00 0.00 -0.266 OA ATOM 21 N LIG 1 5.374 1.037 1.538 0.00 0.00 -0.242 N ATOM 22 H LIG 1 5.021 0.973 2.488 0.00 0.00 +0.192 HD ATOM 23 C LIG 1 6.759 1.239 -2.373 0.00 0.00 +0.010 A ATOM 24 N LIG 1 4.906 0.115 0.655 0.00 0.00 -0.175 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 2 5 BRANCH 3 25 ATOM 25 C LIG 1 -2.397 -2.301 -0.242 0.00 0.00 +0.200 C BRANCH 25 26 ATOM 26 C LIG 1 -2.642 -1.648 1.129 0.00 0.00 +0.233 C ATOM 27 N LIG 1 -3.620 -0.667 1.238 0.00 0.00 -0.291 N ATOM 28 C LIG 1 -4.328 -0.063 0.098 0.00 0.00 +0.124 C ATOM 29 C LIG 1 -3.491 0.970 -0.682 0.00 0.00 +0.131 C ATOM 30 N LIG 1 -4.235 1.448 -1.835 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -3.744 1.802 -2.649 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 -5.569 1.781 -1.760 0.00 0.00 +0.244 C ATOM 33 C LIG 1 -6.266 1.444 -0.484 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -7.521 2.000 -0.219 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -8.138 1.764 1.010 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.491 1.002 1.985 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.230 0.450 1.732 0.00 0.00 -0.040 A ATOM 38 C LIG 1 -5.485 -0.309 2.799 0.00 0.00 +0.054 C ATOM 39 O LIG 1 -6.141 2.341 -2.684 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 -5.636 0.624 0.470 0.00 0.00 -0.010 A ATOM 41 C LIG 1 -3.977 -0.172 2.568 0.00 0.00 +0.113 C ATOM 42 O LIG 1 -2.023 -2.058 2.117 0.00 0.00 -0.274 OA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 5