REMARK Name = BDB025885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.700 0.590 0.944 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.931 -0.484 0.442 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.444 -0.338 0.226 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.099 0.877 0.504 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.313 1.931 0.995 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.877 3.114 1.287 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.059 1.801 1.212 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.546 1.027 0.282 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.130 2.155 -0.257 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.457 2.311 -0.472 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.272 1.298 -0.138 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.805 0.159 0.398 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.471 0.050 0.592 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 6.648 1.447 -0.321 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.370 0.172 -0.446 0.00 0.00 +0.136 C ATOM 16 C LIG 1 8.881 0.432 -0.557 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.186 1.332 -1.634 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 8.534 2.593 -1.415 0.00 0.00 +0.179 C ATOM 19 C LIG 1 7.008 2.438 -1.346 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.812 2.065 1.264 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -3.948 1.239 0.284 0.00 0.00 +0.123 C ATOM 22 N LIG 1 -3.084 0.387 1.142 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.525 0.537 2.545 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.938 1.102 2.441 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -6.035 3.447 -0.308 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -6.130 2.482 0.780 0.00 0.00 -0.315 NA ATOM 27 H LIG 1 -6.660 2.897 1.547 0.00 0.00 +0.122 HD ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.652 -1.667 0.175 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.647 -1.549 0.365 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.174 -2.875 -0.262 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.006 -3.190 -0.450 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.256 -3.884 -0.449 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.297 -3.784 -1.467 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.223 -4.761 -1.557 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.191 -5.924 -0.635 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.036 -6.806 -0.699 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.161 -5.936 0.272 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.126 -6.740 0.889 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.210 -4.950 0.366 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.282 -2.622 -2.411 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.622 -1.469 -1.781 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.070 -2.429 -2.983 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.169 -2.774 -3.429 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7