REMARK Name = BDB024264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.601 -0.221 0.946 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.936 -1.704 0.842 0.00 0.00 -0.020 A ATOM 3 C LIG 1 -1.345 -2.664 1.681 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.696 -4.010 1.567 0.00 0.00 +0.041 A ATOM 5 CL LIG 1 -0.953 -5.175 2.594 0.00 0.00 -0.084 Cl ATOM 6 C LIG 1 -2.644 -4.420 0.632 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.256 -3.475 -0.190 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.909 -2.127 -0.081 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.680 -0.088 0.082 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.245 -0.365 -0.788 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.089 0.021 1.221 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.332 0.275 2.348 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 4.766 0.322 -0.579 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.823 -0.011 -1.545 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.491 -0.140 -1.313 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.058 0.069 -0.053 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.916 0.411 0.980 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.282 0.539 0.711 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.226 -0.200 -2.702 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.145 0.203 -1.837 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.392 1.039 -0.815 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.199 1.185 -0.233 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.178 0.451 -0.883 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.835 -0.177 -1.922 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.440 0.390 1.997 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.051 0.098 2.897 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.486 1.856 1.970 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.012 2.515 0.677 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.310 1.997 0.093 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.535 2.135 -1.286 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.725 1.687 -1.867 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.715 1.102 -1.073 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.510 0.977 0.303 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.320 1.428 0.881 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.933 0.637 -1.666 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.917 0.258 -2.153 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9