REMARK Name = BDB010575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.784 1.834 0.284 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.565 0.575 -0.251 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.535 -0.262 0.260 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.171 0.519 1.214 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -3.147 0.084 2.028 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.451 -1.204 1.820 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.924 -2.038 0.906 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.961 -1.574 0.076 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -1.712 1.799 1.211 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -0.710 3.220 -2.566 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -0.942 3.735 -1.146 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -0.111 2.937 -0.163 0.00 0.00 -0.291 N ATOM 13 C LIG 1 0.460 3.839 0.900 0.00 0.00 +0.099 C ATOM 14 C LIG 1 1.004 3.112 2.130 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -0.552 4.935 1.290 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -0.859 5.824 0.203 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -0.614 5.244 -1.085 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -4.500 -1.753 2.709 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -5.075 -0.950 3.620 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -4.877 0.024 3.785 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -5.973 -1.691 4.281 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -6.694 -1.306 5.187 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -5.948 -2.964 3.767 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -4.959 -2.962 2.729 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -1.495 -2.500 -0.950 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.640 -2.211 -2.316 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -1.184 -3.107 -3.284 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 -1.341 -2.708 -4.950 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 -0.597 -4.313 -2.913 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -0.475 -4.633 -1.563 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.928 -3.736 -0.591 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.513 0.231 -1.162 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.543 -0.772 -0.608 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.364 -0.180 0.546 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.435 -1.151 1.041 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.352 -1.616 -0.096 0.00 0.00 -0.014 C ATOM 37 C LIG 1 5.379 -2.624 0.418 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.532 -2.215 -1.244 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.469 -1.240 -1.742 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5