REMARK Name = BDB065324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.655 -0.315 0.242 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.131 -0.959 1.360 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.049 -0.591 1.880 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.816 -2.016 1.950 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.049 -2.421 1.433 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.615 -1.758 0.331 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.900 -0.708 -0.267 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.215 -1.737 -1.201 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.499 -0.570 -0.516 0.00 0.00 +0.104 C ATOM 10 N LIG 1 -4.154 0.718 -0.707 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -3.487 1.868 -1.062 0.00 0.00 +0.151 A ATOM 12 N LIG 1 -4.356 2.849 -1.174 0.00 0.00 -0.133 NA ATOM 13 N LIG 1 -5.583 2.368 -0.806 0.00 0.00 -0.132 NA ATOM 14 C LIG 1 -2.014 1.938 -1.253 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.381 0.736 -0.711 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.035 0.836 -0.370 0.00 0.00 +0.250 C ATOM 17 O LIG 1 0.627 1.856 -0.550 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -5.447 1.103 -0.456 0.00 0.00 +0.165 A ATOM 19 C LIG 1 -2.050 -0.522 -1.045 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -6.521 0.252 0.133 0.00 0.00 +0.207 C BRANCH 20 21 ATOM 21 O LIG 1 -7.198 -0.366 -0.961 0.00 0.00 -0.382 OA ATOM 22 H LIG 1 -7.496 0.357 -1.545 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -7.512 1.075 0.973 0.00 0.00 +0.195 C BRANCH 23 24 ATOM 24 O LIG 1 -6.885 1.666 2.110 0.00 0.00 -0.392 OA ATOM 25 H LIG 1 -6.334 2.398 1.768 0.00 0.00 +0.210 HD ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 3.945 -2.226 -0.221 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.855 -1.105 -0.705 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.572 -0.250 0.276 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.386 0.759 -0.236 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.094 1.609 0.622 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.985 1.448 2.002 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.173 0.441 2.521 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.496 0.922 -1.694 0.00 0.00 +0.272 A ATOM 34 O LIG 1 7.210 1.787 -2.190 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 5.761 0.049 -2.457 0.00 0.00 -0.242 N ATOM 36 H LIG 1 5.822 0.151 -3.466 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.467 -0.409 1.663 0.00 0.00 +0.010 A ATOM 38 N LIG 1 4.958 -0.945 -1.992 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 7