REMARK Name = BDB059787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.660 -0.803 0.985 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.586 -1.960 1.751 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.323 -2.084 2.728 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.456 -3.018 1.507 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.419 -2.908 0.502 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.534 -1.730 -0.256 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.634 -0.679 -0.014 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 N LIG 1 5.638 0.255 -0.028 0.00 0.00 -0.268 N ATOM 9 N LIG 1 4.973 1.294 0.550 0.00 0.00 -0.174 NA ATOM 10 C LIG 1 3.746 0.805 0.680 0.00 0.00 +0.085 A ATOM 11 C LIG 1 2.487 1.349 1.215 0.00 0.00 +0.166 C ATOM 12 N LIG 1 1.580 0.190 0.991 0.00 0.00 -0.287 N ATOM 13 C LIG 1 2.239 -0.993 0.371 0.00 0.00 +0.147 C ATOM 14 C LIG 1 0.235 0.334 1.248 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -0.271 1.380 1.646 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.608 -0.495 0.207 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.843 -0.851 -0.254 0.00 0.00 +0.114 A BRANCH 8 19 ATOM 18 C LIG 1 7.898 0.587 0.909 0.00 0.00 +0.032 C ATOM 19 C LIG 1 7.057 0.376 -0.349 0.00 0.00 +0.101 C ATOM 20 C LIG 1 7.304 1.479 -1.377 0.00 0.00 +0.032 C ENDBRANCH 8 19 ENDBRANCH 1 14 BRANCH 6 21 ATOM 21 C LIG 1 -3.577 -1.640 -1.350 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 -4.247 -0.278 -1.468 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -5.265 0.141 -0.471 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -5.837 1.401 -0.638 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -6.803 1.872 0.259 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -7.199 1.075 1.332 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.631 -0.186 1.505 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.415 2.237 -1.774 0.00 0.00 +0.272 A ATOM 29 O LIG 1 -5.900 3.346 -1.968 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -4.457 1.698 -2.597 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -4.150 2.264 -3.383 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 -5.666 -0.656 0.608 0.00 0.00 +0.010 A ATOM 33 N LIG 1 -3.880 0.475 -2.464 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 4