REMARK Name = BDB055471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.329 3.519 -0.562 0.00 0.00 +0.215 A ATOM 2 N LIG 1 1.067 3.225 -0.878 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 0.722 1.931 -0.974 0.00 0.00 +0.127 A ATOM 4 C LIG 1 1.664 0.940 -0.770 0.00 0.00 +0.072 A ATOM 5 C LIG 1 2.950 1.328 -0.438 0.00 0.00 +0.078 A ATOM 6 N LIG 1 3.282 2.627 -0.309 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.041 0.359 -0.194 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.139 -0.841 -0.931 0.00 0.00 +0.037 A ATOM 9 C LIG 1 5.197 -1.716 -0.645 0.00 0.00 +0.068 A ATOM 10 C LIG 1 6.157 -1.457 0.324 0.00 0.00 +0.041 A ATOM 11 C LIG 1 7.024 -2.582 0.279 0.00 0.00 +0.146 A ATOM 12 N LIG 1 6.653 -3.469 -0.639 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.071 -0.263 1.058 0.00 0.00 +0.014 A ATOM 14 N LIG 1 5.549 -2.927 -1.178 0.00 0.00 -0.275 N ATOM 15 H LIG 1 5.077 -3.439 -1.914 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.019 0.625 0.785 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 8.108 -2.743 1.052 0.00 0.00 -0.341 N ATOM 18 H LIG 1 8.754 -3.463 0.746 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 8.573 -1.926 1.428 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 -0.587 1.613 -1.328 0.00 0.00 -0.310 N ATOM 21 C LIG 1 -1.264 0.471 -0.679 0.00 0.00 +0.147 C ATOM 22 C LIG 1 -2.632 0.884 -0.096 0.00 0.00 +0.221 C ATOM 23 O LIG 1 -3.518 1.531 -1.034 0.00 0.00 -0.364 OA ATOM 24 C LIG 1 -2.831 2.205 -2.100 0.00 0.00 +0.180 C ATOM 25 C LIG 1 -1.455 2.744 -1.688 0.00 0.00 +0.134 C BRANCH 22 26 ATOM 26 C LIG 1 -3.325 -0.352 0.504 0.00 0.00 +0.248 C ATOM 27 N LIG 1 -4.702 -0.199 0.529 0.00 0.00 -0.283 N ATOM 28 H LIG 1 -5.037 0.625 0.035 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 -2.688 -1.309 0.935 0.00 0.00 -0.273 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.669 -1.077 1.048 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -7.013 -0.724 0.873 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -8.035 -1.541 1.363 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.722 -2.720 2.034 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.388 -3.078 2.215 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.365 -2.260 1.725 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 36 ATOM 36 N LIG 1 2.660 4.853 -0.436 0.00 0.00 -0.327 N ATOM 37 H LIG 1 3.458 4.948 0.175 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 1.835 5.391 -0.216 0.00 0.00 +0.145 HD ENDBRANCH 1 36 TORSDOF 6