REMARK Name = BDB062853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O UNK A 0 0.452 -1.573 1.603 0.00 0.00 -0.270 OA ATOM 2 C UNK A 0 -0.226 -0.621 1.238 0.00 0.00 +0.245 C ATOM 3 N PHE A 1 0.114 0.201 0.193 0.00 0.00 -0.298 N ATOM 4 H PHE A 1 -0.457 1.011 -0.044 0.00 0.00 +0.150 HD ENDROOT BRANCH 2 5 ATOM 5 C UNK A 0 -1.445 -0.241 1.974 0.00 0.00 +0.045 A ATOM 6 C UNK A 0 -2.701 -0.136 1.393 0.00 0.00 +0.006 A ATOM 7 C UNK A 0 -3.230 -0.419 0.065 0.00 0.00 -0.006 A ATOM 8 C UNK A 0 -4.597 -0.088 0.033 0.00 0.00 +0.030 A ATOM 9 C UNK A 0 -4.979 0.390 1.374 0.00 0.00 +0.194 C ATOM 10 O UNK A 0 -6.076 0.761 1.730 0.00 0.00 -0.287 OA ATOM 11 C UNK A 0 -5.402 -0.236 -1.082 0.00 0.00 +0.012 A ATOM 12 C UNK A 0 -4.805 -0.753 -2.228 0.00 0.00 +0.001 A ATOM 13 C UNK A 0 -3.447 -1.116 -2.223 0.00 0.00 +0.001 A ATOM 14 C UNK A 0 -2.656 -0.960 -1.074 0.00 0.00 +0.009 A ATOM 15 C UNK A 0 -3.759 0.325 2.202 0.00 0.00 +0.031 A ATOM 16 C UNK A 0 -3.634 0.645 3.544 0.00 0.00 +0.012 A ATOM 17 C UNK A 0 -2.377 0.493 4.121 0.00 0.00 +0.001 A ATOM 18 C UNK A 0 -1.291 0.054 3.344 0.00 0.00 +0.014 A ENDBRANCH 2 5 BRANCH 3 19 ATOM 19 CA PHE A 1 1.338 -0.009 -0.582 0.00 0.00 +0.186 C BRANCH 19 20 ATOM 20 C PHE A 1 1.146 0.680 -1.935 0.00 0.00 +0.326 C ATOM 21 O PHE A 1 0.353 1.596 -2.119 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 OXT PHE A 1 1.925 0.197 -2.929 0.00 0.00 -0.479 OA ATOM 23 HXT PHE A 1 2.557 -0.498 -2.650 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 BRANCH 19 24 ATOM 24 CB PHE A 1 2.563 0.558 0.149 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 CG PHE A 1 3.860 0.015 -0.403 0.00 0.00 -0.045 A ATOM 26 CD2 PHE A 1 4.246 -1.302 -0.120 0.00 0.00 +0.004 A ATOM 27 CE2 PHE A 1 5.421 -1.825 -0.661 0.00 0.00 +0.000 A ATOM 28 CZ PHE A 1 6.218 -1.036 -1.488 0.00 0.00 +0.000 A ATOM 29 CE1 PHE A 1 5.846 0.277 -1.770 0.00 0.00 +0.000 A ATOM 30 CD1 PHE A 1 4.672 0.803 -1.228 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 3 19 TORSDOF 6