REMARK Name = BDB058109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.221 -0.847 1.177 0.00 0.00 +0.048 C ATOM 2 C LIG 1 3.804 -0.923 0.670 0.00 0.00 +0.004 C ATOM 3 C LIG 1 3.185 -0.030 -0.148 0.00 0.00 -0.000 C ATOM 4 C LIG 1 3.902 1.212 -0.512 0.00 0.00 +0.025 A ATOM 5 C LIG 1 3.454 2.413 0.055 0.00 0.00 +0.131 A ATOM 6 C LIG 1 4.111 3.613 -0.190 0.00 0.00 +0.084 A ATOM 7 C LIG 1 5.197 3.611 -1.057 0.00 0.00 +0.127 A ATOM 8 C LIG 1 5.636 2.437 -1.667 0.00 0.00 +0.039 A ATOM 9 F LIG 1 5.833 4.761 -1.316 0.00 0.00 -0.205 F ATOM 10 O LIG 1 2.381 2.398 0.911 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 1.157 2.237 0.178 0.00 0.00 +0.265 C ATOM 12 C LIG 1 0.819 0.844 -0.340 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -0.527 0.612 -0.695 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -0.950 -0.607 -1.247 0.00 0.00 -0.041 A ATOM 15 C LIG 1 0.011 -1.580 -1.527 0.00 0.00 +0.004 A ATOM 16 C LIG 1 1.349 -1.366 -1.196 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.988 1.230 -1.395 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.760 -0.182 -0.557 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 3.095 -2.108 1.213 0.00 0.00 +0.179 A ATOM 20 N LIG 1 1.976 -1.938 1.915 0.00 0.00 -0.272 N ATOM 21 H LIG 1 1.468 -1.089 2.087 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 1.539 -3.163 2.241 0.00 0.00 +0.440 A ATOM 23 O LIG 1 0.497 -3.425 2.821 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 2.452 -4.083 1.791 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 3.467 -3.337 1.113 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 -2.405 -0.860 -1.583 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -3.354 -0.470 -0.499 0.00 0.00 +0.051 A ATOM 28 N LIG 1 -3.416 -1.073 0.745 0.00 0.00 -0.303 N ATOM 29 C LIG 1 -4.406 -0.400 1.464 0.00 0.00 +0.138 A ATOM 30 C LIG 1 -4.650 -0.828 2.800 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -3.935 -1.844 3.321 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.910 -2.524 2.546 0.00 0.00 +0.018 A ATOM 33 N LIG 1 -4.962 0.555 0.751 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 -2.678 -2.129 1.283 0.00 0.00 +0.093 A ATOM 35 C LIG 1 -4.329 0.506 -0.458 0.00 0.00 +0.067 A BRANCH 35 36 ATOM 36 C LIG 1 -4.672 1.469 -1.622 0.00 0.00 +0.040 C ATOM 37 C LIG 1 -6.112 1.851 -1.848 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -5.421 0.935 -2.816 0.00 0.00 +0.010 C ENDBRANCH 35 36 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4