REMARK Name = BDB024004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.305 -0.648 -0.577 0.00 0.00 +0.047 A ATOM 2 C LIG 1 1.561 -1.986 -0.299 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.566 -2.783 0.111 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.834 -2.527 -0.454 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.878 -1.728 -0.918 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.652 -0.380 -1.222 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.362 0.146 -1.048 0.00 0.00 +0.018 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -4.600 -0.862 -0.453 0.00 0.00 +0.216 C ATOM 9 N LIG 1 -3.238 -0.980 -0.142 0.00 0.00 -0.301 N ATOM 10 C LIG 1 -2.620 -0.244 0.973 0.00 0.00 +0.115 C ATOM 11 C LIG 1 -1.121 -0.458 1.099 0.00 0.00 +0.093 C ATOM 12 P LIG 1 -0.303 0.054 -0.424 0.00 0.00 +0.122 P ATOM 13 O LIG 1 -0.322 1.562 -0.512 0.00 0.00 -0.316 OA ATOM 14 C LIG 1 -1.371 -0.637 -1.703 0.00 0.00 +0.093 C ATOM 15 C LIG 1 -2.362 -1.626 -1.124 0.00 0.00 +0.115 C ATOM 16 O LIG 1 -5.062 -1.315 -1.500 0.00 0.00 -0.276 OA BRANCH 8 17 ATOM 17 C LIG 1 -5.471 -0.133 0.573 0.00 0.00 +0.102 C BRANCH 17 19 ATOM 18 C LIG 1 -7.642 -1.433 0.253 0.00 0.00 +0.011 C ATOM 19 C LIG 1 -6.993 -0.042 0.283 0.00 0.00 -0.029 C ATOM 20 C LIG 1 -7.283 0.702 -1.031 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -7.644 0.760 1.431 0.00 0.00 +0.011 C ENDBRANCH 17 19 ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 C LIG 1 4.749 0.486 -1.808 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 6.045 0.485 -1.008 0.00 0.00 +0.074 A ATOM 24 C LIG 1 6.149 1.268 0.251 0.00 0.00 +0.011 A ATOM 25 C LIG 1 7.378 1.254 0.911 0.00 0.00 +0.050 A ATOM 26 C LIG 1 7.569 1.990 2.089 0.00 0.00 +0.014 A ATOM 27 C LIG 1 6.520 2.743 2.610 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.287 2.759 1.958 0.00 0.00 +0.001 A ATOM 29 C LIG 1 8.489 0.475 0.344 0.00 0.00 +0.272 A ATOM 30 O LIG 1 9.590 0.445 0.880 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 8.217 -0.202 -0.819 0.00 0.00 -0.242 N ATOM 32 H LIG 1 8.977 -0.724 -1.238 0.00 0.00 +0.192 HD ATOM 33 C LIG 1 5.099 2.025 0.783 0.00 0.00 +0.010 A ATOM 34 N LIG 1 7.035 -0.201 -1.495 0.00 0.00 -0.175 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 5