REMARK Name = BDB026252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.106 -0.789 0.498 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.171 0.501 -0.027 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.475 0.875 -0.375 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.555 -0.005 -0.198 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.271 -1.262 0.354 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.257 -2.151 0.555 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.974 -1.648 0.701 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.928 0.394 -0.571 0.00 0.00 -0.013 A ATOM 9 C LIG 1 5.001 0.199 0.323 0.00 0.00 +0.036 A ATOM 10 C LIG 1 6.283 0.600 -0.081 0.00 0.00 +0.069 A ATOM 11 C LIG 1 6.536 1.182 -1.319 0.00 0.00 +0.089 A ATOM 12 N LIG 1 7.870 1.480 -1.461 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 8.430 1.091 -0.339 0.00 0.00 +0.200 A ATOM 14 C LIG 1 5.476 1.380 -2.210 0.00 0.00 +0.030 A ATOM 15 N LIG 1 7.516 0.555 0.522 0.00 0.00 -0.333 N ATOM 16 C LIG 1 7.801 0.030 1.832 0.00 0.00 +0.150 C ATOM 17 C LIG 1 4.186 0.983 -1.825 0.00 0.00 +0.011 A ENDBRANCH 4 8 BRANCH 1 25 ATOM 18 C LIG 1 -2.367 -4.221 2.873 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.839 -3.521 1.609 0.00 0.00 +0.071 C ATOM 20 N LIG 1 -2.670 -3.829 0.406 0.00 0.00 -0.297 NA ATOM 21 C LIG 1 -2.636 -5.263 0.089 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -2.198 -3.007 -0.751 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -3.040 -3.230 -2.017 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -2.241 -1.488 -0.426 0.00 0.00 +0.123 C ATOM 25 N LIG 1 -1.440 -1.141 0.773 0.00 0.00 -0.325 N ATOM 26 C LIG 1 -1.752 -1.996 1.933 0.00 0.00 +0.123 C ENDBRANCH 1 25 BRANCH 2 27 ATOM 27 N LIG 1 -0.932 1.379 -0.113 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -1.779 0.975 0.281 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -0.997 2.611 -0.710 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.124 3.186 -1.348 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.346 3.236 -0.592 0.00 0.00 +0.062 A ATOM 32 C LIG 1 -3.157 3.525 -1.763 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -4.353 4.119 -1.602 0.00 0.00 +0.080 A ATOM 34 C LIG 1 -4.857 4.486 -0.252 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -5.953 5.029 -0.152 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.019 4.170 0.816 0.00 0.00 -0.318 N ATOM 37 C LIG 1 -4.432 4.512 2.168 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -2.785 3.565 0.633 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 -2.627 3.118 -3.108 0.00 0.00 +0.372 C ATOM 40 F LIG 1 -3.519 3.403 -4.099 0.00 0.00 -0.204 F ATOM 41 F LIG 1 -2.448 1.768 -3.157 0.00 0.00 -0.204 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 5