REMARK Name = BDB062292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.720 -0.946 -1.733 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.002 -0.265 -0.748 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -0.948 -0.894 -0.054 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -0.250 -0.172 1.068 0.00 0.00 +0.140 C ATOM 5 N LIG 1 1.011 -0.788 1.446 0.00 0.00 -0.267 N ATOM 6 C LIG 1 1.345 -2.089 1.157 0.00 0.00 +0.310 C ATOM 7 N LIG 1 0.488 -2.810 0.338 0.00 0.00 -0.258 N ATOM 8 C LIG 1 0.827 -4.200 0.061 0.00 0.00 +0.140 C ATOM 9 O LIG 1 2.403 -2.568 1.581 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -0.596 -2.209 -0.359 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -1.319 -2.886 -1.353 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.369 -2.261 -2.035 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -3.182 -0.427 -4.957 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -4.046 -0.077 -3.806 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -3.816 -0.303 -2.423 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.931 0.223 -1.808 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -5.395 0.335 -0.411 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -5.763 0.735 -2.756 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -5.214 0.544 -4.009 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.167 0.010 2.277 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.582 -1.086 3.052 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -2.428 -0.902 4.148 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.868 0.376 4.483 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.466 1.473 3.725 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.621 1.293 2.628 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 1.941 0.018 2.228 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C LIG 1 2.975 0.590 1.316 0.00 0.00 +0.126 A ATOM 28 N LIG 1 3.987 -0.190 0.808 0.00 0.00 -0.341 N ATOM 29 H LIG 1 4.090 -1.183 0.985 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 4.765 0.588 -0.007 0.00 0.00 +0.067 A ATOM 31 C LIG 1 4.176 1.850 0.044 0.00 0.00 +0.101 A ATOM 32 C LIG 1 4.749 2.900 -0.703 0.00 0.00 +0.064 A ATOM 33 C LIG 1 5.894 2.627 -1.473 0.00 0.00 +0.015 A ATOM 34 C LIG 1 6.456 1.348 -1.503 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.900 0.297 -0.767 0.00 0.00 +0.028 A ATOM 36 N LIG 1 3.064 1.828 0.873 0.00 0.00 -0.230 NA BRANCH 32 37 ATOM 37 C LIG 1 4.185 4.270 -0.700 0.00 0.00 +0.244 C ATOM 38 O LIG 1 4.691 5.174 -1.355 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 3.076 4.492 0.064 0.00 0.00 -0.325 N ATOM 40 H LIG 1 2.687 5.422 0.104 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 2.672 3.747 0.627 0.00 0.00 +0.145 HD ENDBRANCH 32 37 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 5