REMARK Name = BDB005838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.785 -1.295 0.323 0.00 0.00 +0.140 A ATOM 2 N LIG 1 -0.533 -0.103 -0.339 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.383 0.866 0.174 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.037 0.214 1.214 0.00 0.00 +0.094 A ATOM 5 C LIG 1 -2.948 0.888 2.024 0.00 0.00 +0.063 A ATOM 6 C LIG 1 -3.142 2.223 1.726 0.00 0.00 +0.130 A ATOM 7 N LIG 1 -2.523 2.869 0.709 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 -1.653 2.212 -0.101 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -1.660 -1.094 1.291 0.00 0.00 -0.229 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.070 3.045 2.526 0.00 0.00 +0.268 A ATOM 11 O LIG 1 -4.747 2.401 3.509 0.00 0.00 -0.386 OA ATOM 12 C LIG 1 -5.514 3.373 4.073 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -6.286 3.220 5.003 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -5.240 4.522 3.389 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -5.646 5.426 3.575 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -4.323 4.314 2.410 0.00 0.00 -0.128 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.102 2.994 -1.193 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -1.500 2.796 -2.522 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -0.949 3.579 -3.533 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -1.405 3.332 -5.169 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.017 4.547 -3.191 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.386 4.783 -1.921 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.183 4.019 -0.955 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.114 -2.611 -0.009 0.00 0.00 +0.187 C BRANCH 24 25 ATOM 25 C LIG 1 -0.423 -3.764 0.966 0.00 0.00 +0.025 C ATOM 26 C LIG 1 -1.875 -4.258 0.980 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -1.984 -4.967 2.321 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -1.218 -4.054 3.265 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -0.052 -3.512 2.439 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 O LIG 1 -0.549 -2.942 -1.337 0.00 0.00 -0.369 OA BRANCH 30 32 ATOM 31 C LIG 1 -0.188 -4.013 -3.436 0.00 0.00 +0.034 C ATOM 32 C LIG 1 0.355 -3.796 -2.036 0.00 0.00 +0.157 C ENDBRANCH 30 32 ENDBRANCH 24 30 ENDBRANCH 1 24 BRANCH 2 33 ATOM 33 C LIG 1 0.487 0.098 -1.357 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.739 0.834 -0.841 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.589 1.321 -2.024 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.852 2.041 -1.555 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.690 1.162 -0.620 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.917 1.921 -0.116 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.849 0.664 0.559 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.583 -0.052 0.088 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8