REMARK Name = BDB010568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.666 -0.599 0.432 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.477 -0.753 -0.259 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.124 -1.903 0.206 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.723 -2.334 1.219 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.503 -3.416 1.982 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.629 -4.048 1.671 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.519 -3.727 0.703 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.271 -2.640 -0.064 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.814 -1.531 1.341 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.111 1.583 2.364 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.159 1.042 1.381 0.00 0.00 +0.087 C ATOM 12 N LIG 1 2.514 0.437 0.167 0.00 0.00 -0.296 N ATOM 13 C LIG 1 3.546 0.064 -0.842 0.00 0.00 +0.123 C ATOM 14 C LIG 1 4.439 1.267 -1.208 0.00 0.00 +0.103 C ATOM 15 N LIG 1 5.103 1.923 -0.065 0.00 0.00 -0.302 NA ATOM 16 C LIG 1 6.187 1.106 0.478 0.00 0.00 +0.105 C ATOM 17 C LIG 1 4.085 2.227 0.964 0.00 0.00 +0.106 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -0.973 -5.253 2.460 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -2.096 -5.927 2.164 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.763 -5.711 1.441 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -2.168 -6.958 3.015 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -3.055 -7.796 3.051 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -1.075 -6.914 3.844 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -0.309 -5.771 3.442 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -2.235 -2.372 -1.120 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.934 -2.666 -2.460 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -2.867 -2.410 -3.465 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 -2.470 -2.754 -5.103 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 -4.114 -1.874 -3.154 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -4.435 -1.598 -1.826 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.503 -1.852 -0.817 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 -0.022 0.182 -1.251 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -0.495 1.536 -0.689 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.648 1.385 0.315 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.139 2.741 0.819 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -2.552 3.660 -0.336 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.993 5.024 0.191 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.406 3.813 -1.343 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.913 2.458 -1.846 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5