REMARK Name = BDB052406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.093 0.270 0.021 0.00 0.00 +0.220 A ATOM 2 N LIG 1 -2.420 0.310 0.213 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -3.140 -0.654 -0.375 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -4.579 -0.627 -0.202 0.00 0.00 +0.091 A ATOM 5 N LIG 1 -5.357 0.124 0.627 0.00 0.00 -0.264 N ATOM 6 C LIG 1 -4.928 1.121 1.581 0.00 0.00 +0.173 C ATOM 7 N LIG 1 -6.679 -0.149 0.505 0.00 0.00 -0.166 NA ATOM 8 C LIG 1 -6.742 -1.101 -0.455 0.00 0.00 +0.151 A ATOM 9 C LIG 1 -5.445 -1.430 -0.917 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -4.959 -2.369 -1.967 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -3.478 -2.766 -1.729 0.00 0.00 +0.043 C ATOM 12 C LIG 1 -2.614 -1.665 -1.162 0.00 0.00 -0.001 A ATOM 13 C LIG 1 -1.251 -1.625 -1.287 0.00 0.00 +0.120 A ATOM 14 N LIG 1 -0.484 -0.674 -0.719 0.00 0.00 -0.222 NA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -8.027 -1.656 -0.905 0.00 0.00 +0.262 C ATOM 16 O LIG 1 -8.143 -2.504 -1.784 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 -9.114 -1.139 -0.257 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -10.043 -1.427 -0.520 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -8.959 -0.414 0.435 0.00 0.00 +0.145 HD ENDBRANCH 8 15 BRANCH 1 20 ATOM 20 N LIG 1 -0.383 1.291 0.642 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -1.028 1.876 1.174 0.00 0.00 +0.155 HD BRANCH 20 23 ATOM 22 C LIG 1 1.351 2.793 1.494 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.977 1.605 0.820 0.00 0.00 +0.046 A ATOM 24 C LIG 1 2.006 0.794 0.301 0.00 0.00 +0.047 A ATOM 25 C LIG 1 3.371 1.093 0.451 0.00 0.00 +0.032 A ATOM 26 C LIG 1 3.694 2.272 1.133 0.00 0.00 +0.024 A ATOM 27 C LIG 1 2.707 3.112 1.651 0.00 0.00 +0.015 A BRANCH 25 28 ATOM 28 N LIG 1 4.406 0.299 -0.069 0.00 0.00 -0.327 N ATOM 29 C LIG 1 4.055 -0.704 -1.100 0.00 0.00 +0.120 C ATOM 30 C LIG 1 5.336 -1.312 -1.718 0.00 0.00 +0.103 C ATOM 31 N LIG 1 6.220 -1.925 -0.701 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 7.435 -2.447 -1.322 0.00 0.00 +0.105 C ATOM 33 C LIG 1 6.550 -0.909 0.323 0.00 0.00 +0.103 C ATOM 34 C LIG 1 5.297 -0.273 0.971 0.00 0.00 +0.120 C ENDBRANCH 25 28 BRANCH 22 36 ATOM 35 C LIG 1 0.694 5.125 2.421 0.00 0.00 +0.091 C ATOM 36 C LIG 1 0.306 3.716 2.051 0.00 0.00 +0.162 C ATOM 37 O LIG 1 -0.851 3.325 2.207 0.00 0.00 -0.292 OA ENDBRANCH 22 36 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 5