REMARK Name = BDB035909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.275 2.971 -2.418 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -2.581 1.775 -1.832 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -1.259 1.863 -1.372 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -0.629 0.740 -0.836 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.759 0.853 -0.354 0.00 0.00 +0.200 A ATOM 6 C LIG 1 1.409 2.182 -0.515 0.00 0.00 +0.064 A ATOM 7 C LIG 1 0.677 3.168 -1.051 0.00 0.00 +0.208 A ATOM 8 O LIG 1 1.337 -0.099 0.160 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 -1.304 -0.483 -0.752 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -2.628 -0.592 -1.199 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -0.628 3.080 -1.471 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 -3.251 0.544 -1.743 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.806 2.401 -0.116 0.00 0.00 -0.011 A ATOM 14 C LIG 1 3.826 1.649 -0.715 0.00 0.00 +0.016 A ATOM 15 C LIG 1 5.168 1.751 -0.292 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.469 2.685 0.713 0.00 0.00 +0.007 A ATOM 17 C LIG 1 4.462 3.460 1.294 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.136 3.314 0.889 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 6.217 0.846 -0.968 0.00 0.00 +0.288 C ATOM 20 F LIG 1 6.261 1.209 -2.301 0.00 0.00 -0.219 F BRANCH 19 21 ATOM 21 C LIG 1 5.835 -0.625 -0.898 0.00 0.00 +0.184 A ATOM 22 N LIG 1 5.309 -1.313 0.174 0.00 0.00 -0.317 N ATOM 23 C LIG 1 4.977 -0.852 1.497 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.118 -2.594 -0.255 0.00 0.00 +0.224 A ATOM 25 N LIG 1 5.519 -2.708 -1.496 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 5.964 -1.478 -1.901 0.00 0.00 -0.131 NA ENDBRANCH 19 21 BRANCH 19 27 ATOM 27 C LIG 1 7.664 0.990 -0.436 0.00 0.00 +0.435 C ATOM 28 F LIG 1 7.753 0.671 0.883 0.00 0.00 -0.167 F ATOM 29 F LIG 1 8.125 2.263 -0.553 0.00 0.00 -0.167 F ATOM 30 F LIG 1 8.552 0.200 -1.086 0.00 0.00 -0.167 F ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 31 ATOM 31 C LIG 1 -3.366 -1.913 -1.109 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -4.192 -2.123 0.083 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -5.306 -1.198 0.243 0.00 0.00 +0.088 C ATOM 34 C LIG 1 -6.359 -1.789 1.206 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -7.362 -2.679 0.468 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -5.716 -2.573 2.367 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -4.275 -2.139 2.591 0.00 0.00 +0.016 C ATOM 38 C LIG 1 -3.432 -2.326 1.320 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 6