REMARK Name = BDB062392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N PHE A 1 -0.565 -0.547 -0.730 0.00 0.00 -0.297 N ATOM 2 H PHE A 1 -0.694 -1.486 -1.106 0.00 0.00 +0.150 HD ATOM 3 C UNK A 0 -1.547 0.384 -0.995 0.00 0.00 +0.285 C ATOM 4 O UNK A 0 -1.426 1.588 -0.824 0.00 0.00 -0.267 OA ENDROOT BRANCH 3 5 ATOM 5 C UNK A 0 -2.828 -0.217 -1.596 0.00 0.00 +0.250 C ATOM 6 O UNK A 0 -2.683 -1.219 -2.299 0.00 0.00 -0.282 OA BRANCH 5 7 ATOM 7 C UNK A 0 -4.137 0.380 -1.353 0.00 0.00 +0.060 A ATOM 8 C UNK A 0 -5.222 0.438 -2.292 0.00 0.00 +0.011 A ATOM 9 C UNK A 0 -6.281 1.097 -1.672 0.00 0.00 +0.048 A ATOM 10 C UNK A 0 -7.504 1.342 -2.309 0.00 0.00 +0.026 A ATOM 11 C UNK A 0 -7.648 0.897 -3.626 0.00 0.00 +0.002 A ATOM 12 C UNK A 0 -6.610 0.234 -4.276 0.00 0.00 +0.001 A ATOM 13 N UNK A 0 -5.868 1.412 -0.401 0.00 0.00 -0.354 N ATOM 14 H UNK A 0 -6.440 1.879 0.288 0.00 0.00 +0.166 HD ATOM 15 C UNK A 0 -5.395 0.000 -3.623 0.00 0.00 +0.011 A ATOM 16 C UNK A 0 -4.589 0.960 -0.173 0.00 0.00 +0.059 A BRANCH 16 17 ATOM 17 C UNK A 0 -3.988 1.079 1.148 0.00 0.00 -0.001 A ATOM 18 C UNK A 0 -3.370 2.269 1.544 0.00 0.00 +0.010 A ATOM 19 C UNK A 0 -2.812 2.381 2.819 0.00 0.00 +0.001 A ATOM 20 C UNK A 0 -2.879 1.309 3.707 0.00 0.00 +0.000 A ATOM 21 C UNK A 0 -3.501 0.123 3.322 0.00 0.00 +0.001 A ATOM 22 C UNK A 0 -4.053 0.007 2.044 0.00 0.00 +0.010 A ENDBRANCH 16 17 ENDBRANCH 5 7 ENDBRANCH 3 5 BRANCH 1 23 ATOM 23 CA PHE A 1 0.757 -0.168 -0.260 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 C PHE A 1 1.793 -1.188 -0.760 0.00 0.00 +0.234 C ATOM 25 N PHE A 1 3.108 -0.811 -0.584 0.00 0.00 -0.301 N ATOM 26 H PHE A 1 3.289 0.188 -0.518 0.00 0.00 +0.150 HD ATOM 27 O PHE A 1 1.478 -2.267 -1.262 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 CA PHE A 1 4.182 -1.594 -1.193 0.00 0.00 +0.186 C BRANCH 28 29 ATOM 29 C PHE A 1 4.405 -1.108 -2.632 0.00 0.00 +0.326 C ATOM 30 O PHE A 1 4.303 0.060 -2.986 0.00 0.00 -0.249 OA BRANCH 29 31 ATOM 31 OXT PHE A 1 4.761 -2.087 -3.497 0.00 0.00 -0.479 OA ATOM 32 HXT PHE A 1 4.702 -2.993 -3.137 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 CB PHE A 1 5.490 -1.551 -0.387 0.00 0.00 +0.069 C BRANCH 33 34 ATOM 34 CG PHE A 1 5.935 -0.179 0.065 0.00 0.00 -0.045 A ATOM 35 CD2 PHE A 1 6.641 0.670 -0.798 0.00 0.00 +0.004 A ATOM 36 CE2 PHE A 1 7.026 1.944 -0.378 0.00 0.00 +0.000 A ATOM 37 CZ PHE A 1 6.713 2.382 0.907 0.00 0.00 +0.000 A ATOM 38 CE1 PHE A 1 6.015 1.546 1.775 0.00 0.00 +0.000 A ATOM 39 CD1 PHE A 1 5.628 0.273 1.357 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 25 28 ENDBRANCH 23 24 BRANCH 23 40 ATOM 40 CB PHE A 1 0.800 0.071 1.261 0.00 0.00 +0.034 C BRANCH 40 42 ATOM 41 CD1 PHE A 1 -0.522 -2.055 1.911 0.00 0.00 +0.007 C ATOM 42 CG PHE A 1 0.645 -1.125 2.231 0.00 0.00 -0.015 C ATOM 43 CD2 PHE A 1 1.931 -1.936 2.400 0.00 0.00 +0.007 C ENDBRANCH 40 42 ENDBRANCH 23 40 ENDBRANCH 1 23 TORSDOF 12