REMARK Name = BDB056032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.156 0.967 0.182 0.00 0.00 +0.094 A ATOM 2 N LIG 1 0.053 0.373 0.665 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -0.962 1.164 0.280 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -1.893 0.900 0.580 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.572 2.243 -0.463 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.801 2.151 -0.523 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.066 -0.711 0.844 0.00 0.00 +0.035 A ATOM 8 C LIG 1 4.918 0.476 0.128 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.645 1.027 -0.090 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.493 0.401 0.404 0.00 0.00 +0.002 A ATOM 11 C LIG 1 2.651 -0.791 1.122 0.00 0.00 +0.012 A ATOM 12 C LIG 1 3.920 -1.341 1.340 0.00 0.00 +0.024 A BRANCH 7 16 ATOM 13 N LIG 1 8.536 -1.782 1.173 0.00 0.00 -0.251 N ATOM 14 H LIG 1 8.290 -2.598 1.708 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.569 -0.907 0.722 0.00 0.00 +0.309 C ATOM 16 N LIG 1 6.305 -1.331 1.107 0.00 0.00 -0.269 N ATOM 17 H LIG 1 6.261 -2.187 1.638 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 7.808 0.102 0.071 0.00 0.00 -0.252 OA BRANCH 13 23 ATOM 19 C LIG 1 13.197 -0.466 -0.098 0.00 0.00 +0.089 C ATOM 20 C LIG 1 11.922 -1.029 0.376 0.00 0.00 +0.136 A ATOM 21 O LIG 1 11.996 -2.183 1.089 0.00 0.00 -0.358 OA ATOM 22 N LIG 1 10.722 -2.576 1.458 0.00 0.00 -0.063 NA ATOM 23 C LIG 1 9.891 -1.652 0.961 0.00 0.00 +0.169 A ATOM 24 C LIG 1 10.606 -0.652 0.268 0.00 0.00 +0.091 A ENDBRANCH 13 23 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 5 25 ATOM 25 N LIG 1 -1.366 3.241 -0.993 0.00 0.00 -0.267 N ATOM 26 H LIG 1 -0.893 4.068 -1.343 0.00 0.00 +0.157 HD ATOM 27 C LIG 1 -2.737 3.368 -0.992 0.00 0.00 +0.249 C ATOM 28 O LIG 1 -3.261 4.449 -1.250 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -3.613 2.214 -0.731 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -4.542 2.289 0.303 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -5.376 1.196 0.569 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -5.330 0.022 -0.201 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -4.383 -0.012 -1.243 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -3.542 1.070 -1.523 0.00 0.00 +0.015 A BRANCH 32 35 ATOM 35 N LIG 1 -6.129 -1.093 0.049 0.00 0.00 -0.327 N ATOM 36 C LIG 1 -6.853 -1.681 -1.106 0.00 0.00 +0.120 C ATOM 37 C LIG 1 -8.256 -1.045 -1.260 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -9.075 -1.177 -0.033 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -10.371 -0.525 -0.205 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -8.343 -0.595 1.115 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -6.929 -1.199 1.290 0.00 0.00 +0.120 C ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 5 25 TORSDOF 6