REMARK Name = BDB009408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.268 1.630 -0.235 0.00 0.00 +0.070 A ATOM 2 C UNK A 0 -0.073 2.899 -0.792 0.00 0.00 +0.145 A ATOM 3 F UNK A 0 -0.960 3.375 -1.680 0.00 0.00 -0.204 F ATOM 4 C UNK A 0 1.017 3.688 -0.443 0.00 0.00 +0.040 A ATOM 5 C UNK A 0 1.947 3.205 0.475 0.00 0.00 +0.007 A ATOM 6 C UNK A 0 1.794 1.925 1.033 0.00 0.00 -0.040 A ATOM 7 C UNK A 0 0.672 1.150 0.680 0.00 0.00 +0.030 A ENDROOT BRANCH 1 12 ATOM 8 O UNK A 0 -1.458 -0.915 0.788 0.00 0.00 -0.252 OA ATOM 9 C UNK A 0 -1.893 -0.261 -0.153 0.00 0.00 +0.305 C ATOM 10 N PHE A 1 -2.974 -0.711 -0.865 0.00 0.00 -0.286 N ATOM 11 H PHE A 1 -2.978 -0.497 -1.853 0.00 0.00 +0.151 HD ATOM 12 N UNK A 0 -1.410 0.915 -0.653 0.00 0.00 -0.267 N ATOM 13 H UNK A 0 -2.021 1.414 -1.288 0.00 0.00 +0.156 HD BRANCH 10 14 ATOM 14 CA PHE A 1 -3.738 -1.892 -0.437 0.00 0.00 +0.187 C BRANCH 14 15 ATOM 15 C PHE A 1 -3.001 -3.197 -0.788 0.00 0.00 +0.326 C ATOM 16 O PHE A 1 -3.485 -4.109 -1.445 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 OXT PHE A 1 -1.759 -3.292 -0.254 0.00 0.00 -0.479 OA ATOM 18 HXT PHE A 1 -1.515 -2.514 0.307 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 BRANCH 14 19 ATOM 19 CB PHE A 1 -5.144 -1.904 -1.066 0.00 0.00 +0.069 C BRANCH 19 20 ATOM 20 CG PHE A 1 -5.978 -0.699 -0.692 0.00 0.00 -0.045 A ATOM 21 CD2 PHE A 1 -6.455 -0.540 0.617 0.00 0.00 +0.004 A ATOM 22 CE2 PHE A 1 -7.213 0.579 0.964 0.00 0.00 +0.000 A ATOM 23 CZ PHE A 1 -7.507 1.548 0.006 0.00 0.00 +0.000 A ATOM 24 CE1 PHE A 1 -7.044 1.397 -1.299 0.00 0.00 +0.000 A ATOM 25 CD1 PHE A 1 -6.284 0.280 -1.649 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 C UNK A 0 2.800 1.417 2.045 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C UNK A 0 3.340 0.023 1.736 0.00 0.00 +0.069 A ATOM 28 C UNK A 0 4.479 -0.136 0.777 0.00 0.00 -0.016 A ATOM 29 C UNK A 0 5.077 1.055 0.083 0.00 0.00 +0.037 C ATOM 30 C UNK A 0 6.013 0.682 -1.071 0.00 0.00 +0.005 C ATOM 31 C UNK A 0 6.921 -0.481 -0.692 0.00 0.00 +0.005 C ATOM 32 C UNK A 0 6.100 -1.713 -0.309 0.00 0.00 +0.041 C ATOM 33 C UNK A 0 4.933 -1.386 0.582 0.00 0.00 +0.023 A ATOM 34 C UNK A 0 4.285 -2.531 1.269 0.00 0.00 +0.268 A ATOM 35 O UNK A 0 4.667 -3.685 1.100 0.00 0.00 -0.266 OA ATOM 36 N UNK A 0 3.243 -2.219 2.097 0.00 0.00 -0.243 N ATOM 37 H UNK A 0 2.781 -2.987 2.573 0.00 0.00 +0.192 HD ATOM 38 N UNK A 0 2.769 -0.971 2.351 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 8