REMARK Name = BDB026251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.124 1.062 0.295 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.024 -0.343 0.146 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.296 -0.930 0.137 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.458 -0.153 0.287 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.290 1.228 0.452 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.360 2.027 0.594 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.030 1.829 0.456 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.795 -0.777 0.271 0.00 0.00 -0.013 A ATOM 9 C LIG 1 4.162 -1.658 -0.767 0.00 0.00 +0.038 A ATOM 10 C LIG 1 5.438 -2.244 -0.771 0.00 0.00 +0.090 A ATOM 11 N LIG 1 5.999 -3.112 -1.676 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 7.206 -3.355 -1.217 0.00 0.00 +0.200 A ATOM 13 N LIG 1 7.448 -2.678 -0.056 0.00 0.00 -0.333 N ATOM 14 C LIG 1 8.671 -2.724 0.703 0.00 0.00 +0.150 C ATOM 15 C LIG 1 6.328 -1.950 0.257 0.00 0.00 +0.068 A ATOM 16 C LIG 1 6.009 -1.087 1.308 0.00 0.00 +0.028 A ATOM 17 C LIG 1 4.730 -0.512 1.289 0.00 0.00 +0.011 A ENDBRANCH 4 8 BRANCH 1 25 ATOM 18 C LIG 1 -2.121 3.669 -2.895 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.577 3.438 -1.476 0.00 0.00 +0.071 C ATOM 20 N LIG 1 -2.142 4.402 -0.481 0.00 0.00 -0.297 NA ATOM 21 C LIG 1 -1.836 5.789 -0.851 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -1.623 4.079 0.883 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -2.295 4.932 1.972 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -1.812 2.585 1.289 0.00 0.00 +0.123 C ATOM 25 N LIG 1 -1.417 1.611 0.259 0.00 0.00 -0.325 N ATOM 26 C LIG 1 -1.889 1.964 -1.095 0.00 0.00 +0.123 C ENDBRANCH 1 25 BRANCH 2 27 ATOM 27 N LIG 1 -1.178 -1.080 0.048 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.000 -0.482 0.089 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.339 -2.442 -0.004 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.465 -3.301 0.004 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.773 -2.854 0.021 0.00 0.00 +0.062 A ATOM 32 C LIG 1 -3.714 -2.629 -1.064 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -4.981 -3.063 -0.927 0.00 0.00 +0.080 A ATOM 34 C LIG 1 -5.434 -3.762 0.306 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -6.604 -4.122 0.384 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.465 -3.952 1.285 0.00 0.00 -0.318 N ATOM 37 C LIG 1 -4.816 -4.652 2.511 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -3.162 -3.507 1.128 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 -3.253 -1.953 -2.317 0.00 0.00 +0.372 C ATOM 40 F LIG 1 -3.051 -0.627 -2.096 0.00 0.00 -0.204 F ATOM 41 F LIG 1 -2.077 -2.458 -2.767 0.00 0.00 -0.204 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 5