REMARK Name = BDB053162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.732 -2.653 0.890 0.00 0.00 +0.153 C ENDROOT BRANCH 1 3 ATOM 2 C UNK A 0 -3.535 -0.944 1.075 0.00 0.00 +0.231 C ATOM 3 N UNK A 0 -2.552 -1.575 0.349 0.00 0.00 -0.303 N ATOM 4 H UNK A 0 -2.264 -1.172 -0.543 0.00 0.00 +0.149 HD ATOM 5 O UNK A 0 -3.802 -1.230 2.241 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C UNK A 0 -4.275 0.175 0.303 0.00 0.00 +0.141 C BRANCH 6 8 ATOM 7 C UNK A 0 -6.569 0.930 -0.175 0.00 0.00 +0.101 C ATOM 8 N UNK A 0 -5.728 -0.048 0.489 0.00 0.00 -0.309 NA ATOM 9 H UNK A 0 -5.925 -0.076 1.493 0.00 0.00 +0.122 HD ENDBRANCH 6 8 BRANCH 6 10 ATOM 10 C UNK A 0 -3.804 1.567 0.772 0.00 0.00 +0.039 C BRANCH 10 11 ATOM 11 C UNK A 0 -2.293 1.772 0.911 0.00 0.00 +0.122 C BRANCH 11 12 ATOM 12 C UNK A 0 -1.506 1.480 -0.337 0.00 0.00 +0.305 C ATOM 13 O UNK A 0 -1.790 0.668 -1.202 0.00 0.00 -0.251 OA BRANCH 12 14 ATOM 14 O UNK A 0 -0.342 2.155 -0.367 0.00 0.00 -0.481 OA ATOM 15 H UNK A 0 0.190 1.691 -1.065 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C UNK A 0 -0.398 -2.067 1.419 0.00 0.00 +0.072 C ATOM 17 S UNK A 0 0.012 -2.233 3.040 0.00 0.00 -0.038 S BRANCH 16 18 ATOM 18 N ALA A 1 0.393 -1.446 0.466 0.00 0.00 -0.329 N ATOM 19 H ALA A 1 0.050 -1.489 -0.497 0.00 0.00 +0.147 HD BRANCH 18 20 ATOM 20 CA ALA A 1 1.793 -1.029 0.618 0.00 0.00 +0.154 C ATOM 21 CB ALA A 1 2.726 -2.209 0.359 0.00 0.00 +0.038 C BRANCH 20 22 ATOM 22 C ALA A 1 2.122 0.124 -0.357 0.00 0.00 +0.234 C ATOM 23 N VAL A 2 3.312 0.773 -0.095 0.00 0.00 -0.301 N ATOM 24 H VAL A 2 3.984 0.281 0.482 0.00 0.00 +0.150 HD ATOM 25 O ALA A 1 1.383 0.456 -1.285 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 CA VAL A 2 3.871 1.743 -1.041 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 CB VAL A 2 4.578 2.918 -0.334 0.00 0.00 +0.014 C ATOM 28 CG2 VAL A 2 5.697 2.478 0.616 0.00 0.00 +0.009 C ATOM 29 CG1 VAL A 2 3.565 3.785 0.420 0.00 0.00 +0.009 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C VAL A 2 4.828 1.000 -1.978 0.00 0.00 +0.326 C ATOM 31 O VAL A 2 5.330 -0.097 -1.774 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 OXT VAL A 2 5.118 1.689 -3.098 0.00 0.00 -0.479 OA ATOM 33 HXT VAL A 2 5.718 1.099 -3.602 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 23 26 ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 1 34 ATOM 34 C UNK A 0 -1.448 -3.722 -0.193 0.00 0.00 +0.138 C ATOM 35 C UNK A 0 -2.701 -4.521 -0.538 0.00 0.00 +0.040 C BRANCH 34 36 ATOM 36 O UNK A 0 -0.957 -3.093 -1.390 0.00 0.00 -0.390 OA ATOM 37 H UNK A 0 -0.922 -3.776 -2.085 0.00 0.00 +0.210 HD ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 17