REMARK Name = BDB037869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.379 -2.107 0.853 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.512 -1.087 0.482 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.124 0.095 -0.126 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.299 0.877 -0.301 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.358 0.191 0.155 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.303 0.390 -0.469 0.00 0.00 +0.057 C ATOM 7 C LIG 1 2.167 -0.340 0.588 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.883 -1.000 0.581 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.757 -1.827 0.713 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.629 -2.704 0.774 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.387 2.232 -0.901 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.615 2.881 -0.960 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.899 2.427 -0.513 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.946 3.343 -1.093 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.223 4.361 -1.941 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.937 1.881 -1.446 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.728 4.219 -1.564 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.387 2.784 -1.366 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.333 5.276 -0.608 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -2.058 6.122 0.139 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.857 -1.921 1.153 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.022 -1.684 2.662 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.367 -2.192 3.165 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.779 -3.310 2.386 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.148 -2.941 1.056 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.229 -1.877 0.462 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.613 -0.274 0.351 0.00 0.00 -0.299 N ATOM 28 H LIG 1 4.086 -1.172 0.336 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.324 0.878 0.579 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.797 1.931 0.916 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.803 0.792 0.431 0.00 0.00 +0.038 A ATOM 32 C LIG 1 6.591 1.738 1.102 0.00 0.00 +0.032 A ATOM 33 C LIG 1 7.984 1.701 0.989 0.00 0.00 +0.052 A ATOM 34 C LIG 1 8.591 0.720 0.196 0.00 0.00 +0.019 A ATOM 35 C LIG 1 7.809 -0.214 -0.486 0.00 0.00 +0.002 A ATOM 36 C LIG 1 6.418 -0.177 -0.373 0.00 0.00 +0.013 A BRANCH 33 37 ATOM 37 C LIG 1 8.791 2.662 1.682 0.00 0.00 +0.099 C ATOM 38 N LIG 1 9.455 3.432 2.242 0.00 0.00 -0.191 NA ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 39 ATOM 39 C LIG 1 1.752 0.057 -1.887 0.00 0.00 -0.001 C ATOM 40 C LIG 1 0.822 0.055 -3.079 0.00 0.00 +0.004 C ATOM 41 C LIG 1 1.406 -1.239 -2.585 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.252 -4.324 -0.042 0.00 0.00 +0.025 C ATOM 43 C LIG 1 0.036 -3.483 1.192 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 8