REMARK Name = BDB065279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.524 0.955 0.073 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.478 1.709 -0.476 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.222 1.108 -0.649 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.079 1.651 -1.159 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 0.842 0.706 -1.108 0.00 0.00 +0.132 A ATOM 6 N LIG 1 0.306 -0.468 -0.589 0.00 0.00 -0.323 N ATOM 7 C LIG 1 -1.022 -0.217 -0.280 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.055 -0.988 0.272 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.305 -0.377 0.442 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -5.292 1.313 2.832 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -5.614 1.708 1.441 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.827 1.552 0.269 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.605 2.097 -0.730 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -5.454 2.275 -2.187 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -6.769 2.551 -0.192 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -6.781 2.304 1.168 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 C LIG 1 2.253 0.955 -1.575 0.00 0.00 +0.151 C ATOM 18 N LIG 1 3.293 0.516 -0.660 0.00 0.00 -0.258 N ATOM 19 C LIG 1 4.352 -0.071 -1.385 0.00 0.00 +0.255 C ATOM 20 O LIG 1 5.394 -0.542 -0.954 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 4.021 0.029 -2.862 0.00 0.00 +0.254 C ATOM 22 F LIG 1 4.325 -1.091 -3.570 0.00 0.00 -0.236 F ATOM 23 C LIG 1 2.527 0.234 -2.885 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 3.372 0.899 0.714 0.00 0.00 +0.040 A ATOM 25 C LIG 1 2.530 1.889 1.246 0.00 0.00 +0.064 A ATOM 26 C LIG 1 2.607 2.245 2.593 0.00 0.00 +0.160 A ATOM 27 F LIG 1 1.791 3.196 3.066 0.00 0.00 -0.202 F ATOM 28 C LIG 1 3.518 1.629 3.436 0.00 0.00 +0.159 A ATOM 29 F LIG 1 3.588 1.972 4.729 0.00 0.00 -0.202 F ATOM 30 C LIG 1 4.365 0.651 2.940 0.00 0.00 +0.043 A ATOM 31 C LIG 1 4.292 0.291 1.588 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 5 17 BRANCH 6 32 ATOM 32 C LIG 1 0.998 -1.742 -0.400 0.00 0.00 +0.093 C ATOM 33 C LIG 1 1.117 -2.156 1.073 0.00 0.00 +0.053 C ATOM 34 C LIG 1 1.855 -3.482 1.177 0.00 0.00 +0.162 C ATOM 35 O LIG 1 1.198 -4.475 0.391 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 1.200 -4.162 -1.001 0.00 0.00 +0.162 C ATOM 37 C LIG 1 0.423 -2.879 -1.256 0.00 0.00 +0.053 C ENDBRANCH 6 32 TORSDOF 4