REMARK Name = BDB055710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.018 -0.468 -1.149 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.251 0.366 -2.243 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.441 0.961 -2.422 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.741 0.598 -3.192 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.993 -0.002 -3.054 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.265 -0.829 -1.956 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.245 -1.069 -1.017 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.798 -1.515 0.815 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.050 -0.753 -0.113 0.00 0.00 +0.247 C ATOM 10 N LIG 1 2.277 -0.144 -0.247 0.00 0.00 -0.303 N ATOM 11 H LIG 1 2.486 0.373 -1.095 0.00 0.00 +0.150 HD BRANCH 10 12 ATOM 12 C LIG 1 3.374 -0.424 0.672 0.00 0.00 +0.121 C ATOM 13 C LIG 1 4.440 0.656 0.616 0.00 0.00 -0.014 A ATOM 14 C LIG 1 5.794 0.327 0.825 0.00 0.00 +0.042 A ATOM 15 C LIG 1 6.779 1.323 0.805 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.426 2.655 0.593 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.088 2.998 0.417 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.210 -1.075 1.112 0.00 0.00 +0.244 C ATOM 19 O LIG 1 7.365 -1.364 1.398 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 5.235 -2.038 1.054 0.00 0.00 -0.309 N ATOM 21 H LIG 1 5.582 -2.984 1.151 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 4.101 2.010 0.438 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.987 -1.806 0.364 0.00 0.00 +0.131 C ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.618 -1.497 -1.827 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -4.214 -1.422 -0.427 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -4.810 -0.152 0.064 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -5.321 -0.150 1.360 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.897 1.007 1.899 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -5.963 2.169 1.133 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.456 2.173 -0.166 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.253 -1.382 2.162 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.694 -1.426 3.305 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.676 -2.469 1.552 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -4.612 -3.325 2.094 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -4.881 1.017 -0.703 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -4.164 -2.504 0.294 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4