REMARK Name = BDB043168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.679 -1.597 -2.480 0.00 0.00 +0.197 C ATOM 2 C LIG 1 -1.992 -0.793 -2.394 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -2.557 -0.425 -3.430 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -2.660 -0.573 -1.230 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -3.486 0.007 -1.366 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -2.465 -1.062 0.134 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -3.811 -1.538 0.741 0.00 0.00 +0.243 C ATOM 8 C LIG 1 -4.432 -2.706 -0.035 0.00 0.00 +0.338 C ATOM 9 O LIG 1 -5.606 -2.712 -0.395 0.00 0.00 -0.248 OA ATOM 10 O LIG 1 -3.565 -3.740 -0.217 0.00 0.00 -0.463 OA ATOM 11 C LIG 1 -4.123 -4.846 -0.939 0.00 0.00 +0.233 C ATOM 12 C LIG 1 -3.163 -6.036 -0.916 0.00 0.00 +0.052 C ATOM 13 C LIG 1 -1.815 -5.760 -1.586 0.00 0.00 +0.124 C ATOM 14 C LIG 1 -0.942 -4.890 -0.718 0.00 0.00 +0.307 C ATOM 15 O LIG 1 -0.512 -5.302 0.358 0.00 0.00 -0.251 OA ATOM 16 O LIG 1 -0.677 -3.627 -1.109 0.00 0.00 -0.462 OA ATOM 17 C LIG 1 -0.968 -3.107 -2.425 0.00 0.00 +0.263 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 1.269 -0.207 -1.835 0.00 0.00 +0.234 C ATOM 19 N LIG 1 0.337 -1.167 -1.522 0.00 0.00 -0.300 N ATOM 20 H LIG 1 0.248 -1.488 -0.565 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 1.376 0.252 -2.973 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 2.145 0.307 -0.670 0.00 0.00 +0.166 C BRANCH 22 24 ATOM 23 C LIG 1 3.696 2.220 -0.497 0.00 0.00 +0.401 C ATOM 24 N LIG 1 3.070 1.277 -1.247 0.00 0.00 -0.269 N ATOM 25 H LIG 1 3.014 1.454 -2.247 0.00 0.00 +0.153 HD ATOM 26 O LIG 1 3.685 2.250 0.723 0.00 0.00 -0.226 OA BRANCH 23 27 ATOM 27 O LIG 1 4.307 3.101 -1.319 0.00 0.00 -0.445 OA BRANCH 27 29 ATOM 28 C LIG 1 4.244 5.122 0.104 0.00 0.00 +0.055 C ATOM 29 C LIG 1 5.089 4.197 -0.780 0.00 0.00 +0.107 C ATOM 30 C LIG 1 6.323 3.671 -0.040 0.00 0.00 +0.055 C ATOM 31 C LIG 1 5.552 4.988 -2.013 0.00 0.00 +0.055 C ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 2.892 -0.820 0.067 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 2.144 -1.329 1.282 0.00 0.00 -0.045 A ATOM 34 C LIG 1 1.919 -0.483 2.379 0.00 0.00 +0.004 A ATOM 35 C LIG 1 1.203 -0.933 3.488 0.00 0.00 +0.000 A ATOM 36 C LIG 1 0.716 -2.237 3.520 0.00 0.00 +0.000 A ATOM 37 C LIG 1 0.955 -3.093 2.448 0.00 0.00 +0.000 A ATOM 38 C LIG 1 1.672 -2.645 1.337 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 7 39 ATOM 39 O LIG 1 -4.748 -0.453 0.776 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -5.639 -0.858 0.848 0.00 0.00 +0.211 HD ENDBRANCH 7 39 BRANCH 6 41 ATOM 41 C LIG 1 -1.746 -0.029 1.035 0.00 0.00 +0.029 C BRANCH 41 42 ATOM 42 C LIG 1 -2.248 1.433 1.028 0.00 0.00 -0.009 C ATOM 43 C LIG 1 -1.602 2.263 -0.098 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -2.028 3.729 -0.050 0.00 0.00 +0.000 C ATOM 45 C LIG 1 -1.742 4.356 1.310 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -2.369 3.546 2.438 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -1.933 2.085 2.389 0.00 0.00 +0.003 C ENDBRANCH 41 42 ENDBRANCH 6 41 TORSDOF 10