REMARK Name = BDB010570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.011 1.688 0.773 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.322 0.352 0.625 0.00 0.00 -0.309 N ATOM 3 C LIG 1 1.698 0.264 0.621 0.00 0.00 +0.115 A ATOM 4 C LIG 1 2.113 1.588 0.662 0.00 0.00 +0.184 A ATOM 5 N LIG 1 3.395 1.984 0.621 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 4.255 0.966 0.532 0.00 0.00 +0.220 A ATOM 7 N LIG 1 3.959 -0.352 0.504 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 2.664 -0.735 0.570 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.060 2.442 0.765 0.00 0.00 -0.195 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 5.687 1.324 0.459 0.00 0.00 +0.287 A ATOM 11 O LIG 1 6.550 0.279 0.356 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 7.774 0.867 0.305 0.00 0.00 +0.436 A ATOM 13 O LIG 1 8.841 0.289 0.209 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 7.558 2.214 0.382 0.00 0.00 -0.208 N ATOM 15 H LIG 1 8.274 2.927 0.369 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 6.234 2.505 0.478 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 2.423 -2.170 0.607 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.967 -2.796 1.779 0.00 0.00 +0.030 A ATOM 19 C LIG 1 1.739 -4.172 1.802 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 1.150 -4.913 3.239 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 1.976 -4.949 0.672 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.456 -4.348 -0.490 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.683 -2.970 -0.518 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N LIG 1 -1.286 2.102 0.897 0.00 0.00 -0.308 N ATOM 25 H LIG 1 -2.089 1.491 0.819 0.00 0.00 +0.149 HD BRANCH 24 27 ATOM 26 C LIG 1 -1.665 4.080 -0.495 0.00 0.00 +0.033 C ATOM 27 C LIG 1 -1.597 3.527 0.931 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 -2.885 3.696 1.724 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -4.157 3.613 1.135 0.00 0.00 +0.043 A ATOM 30 C LIG 1 -5.301 3.745 1.918 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -6.505 3.664 1.337 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.216 3.950 3.289 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -3.964 4.019 3.893 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -2.809 3.888 3.117 0.00 0.00 +0.005 A ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 2 35 ATOM 35 C LIG 1 -0.638 -0.726 0.473 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.351 -0.764 -0.896 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.397 -1.899 -0.926 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.838 -3.181 -1.537 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.381 -2.979 -2.994 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.452 -3.438 -3.984 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.979 -1.523 -3.288 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.350 -0.868 -2.064 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7