REMARK Name = BDB055200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 2.445 -1.043 -0.586 0.00 0.00 +0.038 C ATOM 2 C UNK A 1 1.358 -0.350 -0.231 0.00 0.00 +0.098 C ATOM 3 C UNK A 1 0.042 -0.959 0.125 0.00 0.00 +0.269 C ATOM 4 O UNK A 1 -0.234 -2.144 0.110 0.00 0.00 -0.268 OA ATOM 5 N UNK A 1 -0.759 0.104 0.459 0.00 0.00 -0.204 N ATOM 6 C UNK A 0 -0.092 1.297 0.273 0.00 0.00 +0.314 C ATOM 7 O UNK A 0 -0.523 2.431 0.399 0.00 0.00 -0.252 OA ATOM 8 N UNK A 0 1.206 0.997 -0.108 0.00 0.00 -0.265 N ATOM 9 H UNK A 1 1.908 1.697 -0.289 0.00 0.00 +0.157 HD ENDROOT BRANCH 1 14 ATOM 10 C UNK A 1 8.408 0.325 -1.749 0.00 0.00 +0.047 C ATOM 11 C UNK A 1 7.361 -0.550 -1.118 0.00 0.00 -0.008 A ATOM 12 C UNK A 1 5.975 -0.292 -1.223 0.00 0.00 +0.051 A ATOM 13 C UNK A 1 4.993 -1.100 -0.641 0.00 0.00 +0.007 A ATOM 14 C UNK A 1 3.723 -0.525 -0.954 0.00 0.00 +0.002 A ATOM 15 C UNK A 1 3.953 0.590 -1.727 0.00 0.00 +0.091 A ATOM 16 C UNK A 1 5.398 -2.234 0.091 0.00 0.00 +0.012 A ATOM 17 C UNK A 1 6.759 -2.521 0.216 0.00 0.00 +0.021 A ATOM 18 N UNK A 1 5.308 0.727 -1.874 0.00 0.00 -0.360 N ATOM 19 H UNK A 1 5.759 1.460 -2.403 0.00 0.00 +0.165 HD ATOM 20 C UNK A 1 7.716 -1.698 -0.375 0.00 0.00 +0.046 A ATOM 21 CL UNK A 1 9.378 -2.140 -0.162 0.00 0.00 -0.083 Cl ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C UNK A 1 -2.176 -0.037 0.734 0.00 0.00 +0.202 C BRANCH 22 23 ATOM 23 C UNK A 1 -2.612 0.659 2.018 0.00 0.00 -0.015 A ATOM 24 C UNK A 1 -2.544 -0.043 3.236 0.00 0.00 +0.047 A ATOM 25 C UNK A 1 -2.924 0.575 4.425 0.00 0.00 +0.159 A ATOM 26 F UNK A 1 -2.858 -0.117 5.571 0.00 0.00 -0.202 F ATOM 27 C UNK A 1 -3.367 1.890 4.426 0.00 0.00 +0.158 A ATOM 28 F UNK A 1 -3.732 2.479 5.572 0.00 0.00 -0.202 F ATOM 29 C UNK A 1 -3.429 2.607 3.238 0.00 0.00 +0.041 A ATOM 30 C UNK A 1 -3.049 1.996 2.039 0.00 0.00 +0.009 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C UNK A 1 -2.997 0.309 -0.531 0.00 0.00 +0.239 C ATOM 32 N SER A 2 -4.373 0.242 -0.370 0.00 0.00 -0.306 N ATOM 33 H SER A 2 -4.715 -0.331 0.395 0.00 0.00 +0.149 HD ATOM 34 O UNK A 1 -2.485 0.565 -1.620 0.00 0.00 -0.273 OA BRANCH 32 35 ATOM 35 CA SER A 2 -5.269 0.311 -1.535 0.00 0.00 +0.124 C BRANCH 35 36 ATOM 36 C SER A 2 -5.315 -1.045 -2.256 0.00 0.00 +0.180 C BRANCH 36 37 ATOM 37 O SER A 2 -5.772 -2.057 -1.357 0.00 0.00 -0.393 OA ATOM 38 H SER A 2 -5.740 -2.899 -1.847 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 BRANCH 35 39 ATOM 39 CB SER A 2 -6.669 0.747 -1.077 0.00 0.00 +0.180 C BRANCH 39 40 ATOM 40 OG SER A 2 -6.615 2.056 -0.509 0.00 0.00 -0.393 OA ATOM 41 H SER A 2 -5.818 2.083 0.051 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 35 39 ENDBRANCH 32 35 ENDBRANCH 22 31 ENDBRANCH 5 22 TORSDOF 9