REMARK Name = BDB035895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.283 3.402 1.027 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.296 1.901 0.986 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.145 1.178 0.642 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.176 -0.215 0.605 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.046 -0.955 0.240 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.262 -0.143 -0.050 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.127 1.190 0.021 0.00 0.00 +0.208 A ATOM 8 O LIG 1 -0.038 -2.180 0.185 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.353 -0.909 0.909 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.515 -0.206 1.249 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.008 1.890 0.347 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.473 1.198 1.289 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.554 -0.751 -0.429 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.757 -0.326 0.163 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.023 -0.866 -0.173 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -5.017 -1.889 -1.139 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.835 -2.337 -1.734 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.613 -1.769 -1.383 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.360 -0.305 0.531 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -6.498 -0.625 2.062 0.00 0.00 +0.095 C ATOM 21 C LIG 1 -7.401 -1.810 1.673 0.00 0.00 +0.251 C ATOM 22 F LIG 1 -6.774 -2.998 1.510 0.00 0.00 -0.206 F ATOM 23 F LIG 1 -8.457 -2.039 2.483 0.00 0.00 -0.206 F ATOM 24 C LIG 1 -7.719 -1.057 0.367 0.00 0.00 +0.095 C BRANCH 19 25 ATOM 25 C LIG 1 -6.512 1.236 0.209 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -6.697 1.818 -1.015 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -6.799 1.173 -2.295 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -6.744 3.159 -0.790 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -6.593 3.393 0.492 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -6.441 2.182 1.123 0.00 0.00 -0.134 NA ENDBRANCH 19 25 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 31 ATOM 31 C LIG 1 4.792 -0.947 1.591 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 5.944 -0.523 0.775 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 5.803 -0.963 -0.625 0.00 0.00 +0.088 C ATOM 34 C LIG 1 6.966 -0.467 -1.502 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.913 1.051 -1.702 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.308 -0.914 -0.907 0.00 0.00 +0.006 C ATOM 37 C LIG 1 8.415 -0.564 0.574 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.191 -1.046 1.354 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5