REMARK Name = BDB032337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.568 2.819 -0.167 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.074 1.527 0.251 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -0.608 0.567 1.009 0.00 0.00 -0.009 A ATOM 4 C LIG 1 0.078 -0.606 1.305 0.00 0.00 +0.118 A ATOM 5 N LIG 1 1.359 -0.861 0.950 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 2.032 0.077 0.255 0.00 0.00 +0.122 A ATOM 7 C LIG 1 1.404 1.268 -0.116 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.357 -0.174 -0.115 0.00 0.00 -0.304 N ATOM 9 C LIG 1 4.362 0.868 0.243 0.00 0.00 +0.140 C ATOM 10 C LIG 1 4.377 1.160 1.752 0.00 0.00 +0.036 C ATOM 11 C LIG 1 5.749 0.479 -0.188 0.00 0.00 +0.154 A ATOM 12 N LIG 1 6.845 1.204 -0.225 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 7.866 0.398 -0.676 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 7.375 -0.806 -0.914 0.00 0.00 +0.238 A ATOM 15 N LIG 1 6.043 -0.790 -0.604 0.00 0.00 -0.305 N ATOM 16 C LIG 1 5.060 -1.844 -0.734 0.00 0.00 +0.144 C ATOM 17 C LIG 1 3.805 -1.562 0.102 0.00 0.00 +0.129 C BRANCH 14 18 ATOM 18 C LIG 1 8.078 -2.005 -1.426 0.00 0.00 +0.452 C ATOM 19 F LIG 1 9.362 -1.772 -1.790 0.00 0.00 -0.163 F ATOM 20 F LIG 1 7.446 -2.524 -2.514 0.00 0.00 -0.163 F ATOM 21 F LIG 1 8.102 -2.999 -0.498 0.00 0.00 -0.163 F ENDBRANCH 14 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.037 0.716 1.461 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 -2.913 0.088 0.482 0.00 0.00 -0.339 N ATOM 24 H LIG 1 -2.620 0.295 -0.469 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.314 0.178 0.607 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -5.152 -0.300 -0.452 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -6.561 -0.216 -0.331 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -7.353 -0.661 -1.414 0.00 0.00 +0.124 A ATOM 29 N LIG 1 -6.852 -1.197 -2.540 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -5.515 -1.305 -2.621 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -7.117 0.285 0.863 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.306 0.689 1.917 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.645 -0.878 -1.633 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -4.921 0.625 1.791 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 -8.750 -0.581 -1.391 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -9.048 0.376 -1.246 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -9.062 -0.934 -2.293 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6