REMARK Name = BDB010599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.523 0.304 -0.436 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -1.603 -0.413 0.029 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.571 0.552 0.256 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -3.788 0.298 0.762 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -3.983 -0.997 1.031 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -3.114 -2.013 0.836 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.139 1.793 -0.101 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.897 -1.740 0.314 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -0.922 1.621 -0.562 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.078 2.564 -1.068 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -0.414 2.932 -2.499 0.00 0.00 +0.061 C ATOM 12 C LIG 1 0.757 3.046 -3.458 0.00 0.00 +0.030 C ATOM 13 C LIG 1 -0.229 1.930 -3.621 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -1.536 3.961 -2.652 0.00 0.00 +0.185 C ATOM 15 O LIG 1 -1.238 5.126 -1.869 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -1.122 4.774 -0.483 0.00 0.00 +0.179 C ATOM 17 C LIG 1 0.040 3.797 -0.248 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 18 ATOM 18 C LIG 1 -5.300 -1.354 1.600 0.00 0.00 +0.287 A ATOM 19 O LIG 1 -5.489 -2.673 1.865 0.00 0.00 -0.385 OA ATOM 20 C LIG 1 -6.750 -2.730 2.369 0.00 0.00 +0.436 A ATOM 21 O LIG 1 -7.327 -3.736 2.741 0.00 0.00 -0.221 OA ATOM 22 N LIG 1 -7.222 -1.448 2.369 0.00 0.00 -0.208 N ATOM 23 H LIG 1 -8.138 -1.158 2.687 0.00 0.00 +0.195 HD ATOM 24 N LIG 1 -6.303 -0.574 1.881 0.00 0.00 -0.127 NA ENDBRANCH 5 18 BRANCH 8 25 ATOM 25 C LIG 1 -1.016 -2.875 0.087 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -0.360 -3.495 1.161 0.00 0.00 +0.030 A ATOM 27 C LIG 1 0.492 -4.576 0.939 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 1.315 -5.299 2.266 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 0.690 -5.069 -0.348 0.00 0.00 +0.020 A ATOM 30 C LIG 1 0.025 -4.481 -1.422 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.826 -3.394 -1.205 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 1 32 ATOM 32 C LIG 1 0.814 -0.199 -0.707 0.00 0.00 +0.128 C BRANCH 32 37 ATOM 33 C LIG 1 5.564 -0.352 2.118 0.00 0.00 +0.007 C ATOM 34 C LIG 1 4.523 0.352 1.247 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.298 0.740 2.093 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.056 0.901 1.226 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.656 -0.433 0.564 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.882 -1.319 0.257 0.00 0.00 +0.005 C ATOM 39 C LIG 1 4.146 -0.499 0.020 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 5