REMARK Name = BDB010566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.630 -0.312 0.003 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.287 -0.100 0.276 0.00 0.00 -0.309 N ATOM 3 C LIG 1 0.132 1.228 0.616 0.00 0.00 +0.115 A ATOM 4 C LIG 1 1.395 1.767 0.423 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.703 3.062 0.599 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 0.658 3.794 0.984 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.608 3.376 1.216 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -0.892 2.064 1.046 0.00 0.00 +0.101 A ATOM 9 N LIG 1 2.291 0.818 0.046 0.00 0.00 -0.195 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.887 5.241 1.202 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.140 6.011 1.599 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.086 5.718 1.778 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 0.332 7.257 1.724 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.310 8.235 2.072 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 1.665 7.251 1.397 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.992 5.897 1.058 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.252 1.657 1.363 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.306 1.932 0.477 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -4.606 1.530 0.781 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -5.876 1.843 -0.335 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -4.882 0.869 1.976 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.850 0.612 2.877 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.545 1.007 2.574 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N LIG 1 2.109 -1.545 -0.291 0.00 0.00 -0.308 N ATOM 25 H LIG 1 1.584 -2.352 0.027 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 3.548 -1.840 -0.301 0.00 0.00 +0.103 C BRANCH 26 27 ATOM 27 C LIG 1 4.070 -1.962 1.124 0.00 0.00 -0.027 A ATOM 28 C LIG 1 4.508 -0.846 1.853 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.966 -0.983 3.166 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.987 -2.236 3.772 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.547 -3.354 3.068 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.087 -3.218 1.756 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 33 C LIG 1 3.925 -1.010 -2.686 0.00 0.00 +0.006 C ATOM 34 C LIG 1 4.389 -0.949 -1.235 0.00 0.00 +0.024 C ENDBRANCH 26 34 ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 2 35 ATOM 35 C LIG 1 -0.751 -1.110 0.174 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.077 -1.562 -1.266 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.459 -0.373 -2.170 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.370 -0.803 -3.314 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -3.712 -1.337 -2.785 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -4.379 -2.220 -3.840 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -3.565 -2.077 -1.443 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -2.166 -2.655 -1.253 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 8