REMARK Name = BDB054640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.181 -1.630 -0.649 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -1.100 -0.867 -0.198 0.00 0.00 +0.069 A ATOM 3 C LIG 1 0.214 -1.274 -0.463 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.422 -2.464 -1.165 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.663 -3.237 -1.594 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.967 -2.825 -1.330 0.00 0.00 +0.046 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.251 -0.440 0.008 0.00 0.00 -0.269 N ATOM 8 H LIG 1 0.955 0.398 0.483 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 2.619 -0.626 -0.120 0.00 0.00 +0.309 C ATOM 10 N LIG 1 3.312 0.415 0.463 0.00 0.00 -0.251 N ATOM 11 H LIG 1 2.827 1.172 0.915 0.00 0.00 +0.158 HD ATOM 12 O LIG 1 3.156 -1.580 -0.669 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 4.683 0.537 0.502 0.00 0.00 +0.169 A ATOM 14 N LIG 1 5.231 1.592 1.114 0.00 0.00 -0.063 NA ATOM 15 O LIG 1 6.596 1.444 0.990 0.00 0.00 -0.357 OA ATOM 16 C LIG 1 6.873 0.300 0.304 0.00 0.00 +0.153 A ATOM 17 C LIG 1 5.683 -0.309 -0.024 0.00 0.00 +0.092 A BRANCH 16 18 ATOM 18 C LIG 1 8.328 -0.015 0.083 0.00 0.00 +0.120 C ATOM 19 C LIG 1 8.483 -1.357 -0.659 0.00 0.00 +0.028 C ATOM 20 C LIG 1 9.042 -0.131 1.443 0.00 0.00 +0.028 C BRANCH 18 21 ATOM 21 C LIG 1 8.993 1.089 -0.753 0.00 0.00 +0.402 C ATOM 22 F LIG 1 8.959 2.294 -0.142 0.00 0.00 -0.170 F ATOM 23 F LIG 1 10.299 0.802 -0.982 0.00 0.00 -0.170 F ATOM 24 F LIG 1 8.403 1.226 -1.963 0.00 0.00 -0.170 F ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 25 ATOM 25 O LIG 1 -3.479 -1.286 -0.355 0.00 0.00 -0.437 OA BRANCH 25 34 ATOM 26 C LIG 1 -7.489 1.575 0.690 0.00 0.00 +0.164 A ATOM 27 C LIG 1 -7.045 0.359 1.234 0.00 0.00 +0.162 A ATOM 28 C LIG 1 -5.872 -0.214 0.744 0.00 0.00 +0.064 A ATOM 29 C LIG 1 -5.137 0.418 -0.288 0.00 0.00 +0.066 A ATOM 30 C LIG 1 -5.581 1.626 -0.830 0.00 0.00 +0.082 A ATOM 31 N LIG 1 -4.923 2.262 -1.809 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -3.804 1.688 -2.269 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -3.271 0.545 -1.835 0.00 0.00 -0.201 NA ATOM 34 C LIG 1 -3.950 -0.067 -0.845 0.00 0.00 +0.231 A ATOM 35 C LIG 1 -6.750 2.186 -0.332 0.00 0.00 +0.078 A BRANCH 26 37 ATOM 36 C LIG 1 -9.140 3.307 0.685 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -8.649 2.085 1.219 0.00 0.00 -0.491 OA ENDBRANCH 26 37 BRANCH 27 38 ATOM 38 O LIG 1 -7.819 -0.179 2.230 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -7.416 -1.424 2.784 0.00 0.00 +0.277 C ENDBRANCH 27 38 ENDBRANCH 25 34 ENDBRANCH 1 25 TORSDOF 8