REMARK Name = BDB024239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.893 -0.500 -1.214 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.675 -0.980 0.217 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.533 -0.024 1.241 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.341 -0.416 2.567 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -0.296 -1.771 2.885 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 -0.057 -2.258 4.518 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 -0.446 -2.734 1.890 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -0.639 -2.341 0.563 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.901 -1.730 -2.572 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.028 -2.419 -3.301 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.419 -1.486 -2.324 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -1.223 -2.092 -3.047 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 4.388 -0.159 -0.915 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.118 0.281 -0.565 0.00 0.00 +0.121 A ATOM 15 N LIG 1 1.962 -0.201 -1.092 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.047 -1.179 -2.003 0.00 0.00 +0.125 A ATOM 17 C LIG 1 3.274 -1.677 -2.430 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.452 -1.162 -1.882 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 7.561 1.973 2.255 0.00 0.00 +0.172 C ATOM 20 N LIG 1 6.980 1.334 1.100 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.759 1.035 0.046 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.916 0.461 -0.815 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.591 0.391 -0.322 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.674 0.969 0.929 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.302 -0.054 -1.459 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.353 0.177 -2.454 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.336 -1.066 -1.195 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.121 -0.810 0.103 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.998 0.421 0.051 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.323 0.333 -0.397 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.128 1.473 -0.454 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.614 2.715 -0.068 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.291 2.811 0.374 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.489 1.669 0.431 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.438 3.886 -0.128 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.107 4.833 -0.177 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9