REMARK Name = BDB058776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.441 2.275 -1.037 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 1.516 1.076 -1.785 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 0.399 0.193 -1.773 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 0.483 -0.979 -2.566 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 1.619 -1.301 -3.310 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 2.713 -0.454 -3.292 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -0.756 0.504 -0.982 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -0.795 1.730 -0.307 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 2.660 0.721 -2.544 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 0.294 2.597 -0.320 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 2.546 3.178 -0.956 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 3.113 3.329 -1.787 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 3.430 3.273 0.478 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 4.623 4.029 0.157 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 2.557 3.680 1.558 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 4.728 -1.042 1.263 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 3.519 -0.562 1.777 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 3.118 0.755 1.546 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 3.928 1.592 0.777 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 5.149 1.132 0.276 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 5.545 -0.188 0.516 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 6.210 -2.891 1.063 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 4.996 -2.348 1.566 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N PHE A 1 -1.851 -0.386 -0.976 0.00 0.00 -0.331 N ATOM 25 H PHE A 1 -1.501 -1.344 -0.911 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA PHE A 1 -2.997 -0.210 -0.049 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C PHE A 1 -2.587 -0.594 1.375 0.00 0.00 +0.326 C ATOM 28 O PHE A 1 -2.100 -1.661 1.722 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT PHE A 1 -2.797 0.388 2.276 0.00 0.00 -0.479 OA ATOM 30 HXT PHE A 1 -2.487 0.009 3.125 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB PHE A 1 -4.136 -1.142 -0.507 0.00 0.00 +0.068 C BRANCH 31 32 ATOM 32 CG PHE A 1 -5.429 -0.921 0.243 0.00 0.00 -0.045 A ATOM 33 CD2 PHE A 1 -5.802 -1.781 1.286 0.00 0.00 +0.004 A ATOM 34 CE2 PHE A 1 -6.986 -1.562 1.991 0.00 0.00 +0.000 A ATOM 35 CZ PHE A 1 -7.806 -0.485 1.663 0.00 0.00 +0.000 A ATOM 36 CE1 PHE A 1 -7.444 0.376 0.628 0.00 0.00 +0.000 A ATOM 37 CD1 PHE A 1 -6.261 0.160 -0.079 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 10