REMARK Name = BDB063916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O UNK A 0 1.279 -1.127 3.698 0.00 0.00 -0.268 OA ATOM 2 C UNK A 0 1.157 -1.012 2.495 0.00 0.00 +0.269 C ATOM 3 C UNK A 0 2.150 -0.545 1.492 0.00 0.00 +0.130 C ATOM 4 C UNK A 0 3.386 -0.169 1.843 0.00 0.00 +0.041 C ATOM 5 N UNK A 0 1.572 -0.556 0.241 0.00 0.00 -0.213 NA ATOM 6 C UNK A 0 0.360 -0.983 0.440 0.00 0.00 +0.188 C ATOM 7 N UNK A 0 0.070 -1.276 1.727 0.00 0.00 -0.253 N ATOM 8 H UNK A 0 -0.805 -1.572 2.114 0.00 0.00 +0.158 HD ENDROOT BRANCH 4 9 ATOM 9 C UNK A 0 4.444 0.326 0.947 0.00 0.00 -0.022 A ATOM 10 C UNK A 0 4.613 -0.166 -0.357 0.00 0.00 +0.025 A ATOM 11 C UNK A 0 5.668 0.332 -1.142 0.00 0.00 +0.039 A ATOM 12 C UNK A 0 6.561 1.291 -0.659 0.00 0.00 +0.078 A ATOM 13 N UNK A 0 7.550 1.685 -1.546 0.00 0.00 -0.247 NA ATOM 14 C UNK A 0 7.404 1.035 -2.677 0.00 0.00 +0.157 A ATOM 15 C UNK A 0 6.393 1.766 0.655 0.00 0.00 +0.029 A ATOM 16 S UNK A 0 6.104 -0.074 -2.760 0.00 0.00 -0.075 S ATOM 17 C UNK A 0 5.343 1.276 1.444 0.00 0.00 +0.010 A ENDBRANCH 4 9 BRANCH 6 18 ATOM 18 N PHE A 1 -0.529 -1.117 -0.575 0.00 0.00 -0.312 N ATOM 19 H PHE A 1 -0.112 -0.908 -1.479 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 CA PHE A 1 -1.746 -1.910 -0.648 0.00 0.00 +0.098 C BRANCH 20 21 ATOM 21 CB PHE A 1 -2.912 -1.292 0.151 0.00 0.00 +0.028 C BRANCH 21 22 ATOM 22 CG PHE A 1 -3.488 0.012 -0.449 0.00 0.00 -0.009 C ATOM 23 CD2 PHE A 1 -4.824 0.361 0.224 0.00 0.00 +0.003 C ATOM 24 CE2 PHE A 1 -5.510 1.556 -0.445 0.00 0.00 +0.000 C ATOM 25 CZ PHE A 1 -4.533 2.551 -1.069 0.00 0.00 +0.000 C ATOM 26 CE1 PHE A 1 -3.206 2.571 -0.327 0.00 0.00 +0.000 C ATOM 27 CD1 PHE A 1 -2.516 1.204 -0.348 0.00 0.00 +0.003 C ENDBRANCH 21 22 ENDBRANCH 20 21 BRANCH 20 28 ATOM 28 C PHE A 1 -1.475 -3.377 -0.253 0.00 0.00 +0.178 C BRANCH 28 29 ATOM 29 O PHE A 1 -2.574 -4.207 -0.620 0.00 0.00 -0.393 OA ATOM 30 H PHE A 1 -2.328 -5.123 -0.401 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 20 28 ENDBRANCH 18 20 ENDBRANCH 6 18 TORSDOF 7