REMARK Name = BDB024395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.657 -0.891 1.042 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.012 -2.182 1.411 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -0.526 -3.144 0.561 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -1.031 -4.131 1.352 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -1.665 -5.352 0.920 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -0.897 -3.886 2.667 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -0.263 -2.711 2.701 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.365 0.207 2.103 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.756 0.982 2.071 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.798 1.623 2.851 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.151 0.408 3.043 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.825 0.979 1.179 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -1.832 0.166 0.114 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -2.911 0.207 -0.710 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.009 1.041 -0.535 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.973 1.886 0.574 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -2.874 1.855 1.438 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -5.121 1.030 -1.467 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -6.406 1.444 -1.184 0.00 0.00 +0.122 A ATOM 20 N LIG 1 -7.143 1.257 -2.326 0.00 0.00 -0.211 N ATOM 21 N LIG 1 -6.412 0.741 -3.344 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 -5.192 0.606 -2.817 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 -8.561 1.558 -2.493 0.00 0.00 +0.464 C ATOM 24 F LIG 1 -9.316 0.856 -1.604 0.00 0.00 -0.183 F ATOM 25 F LIG 1 -8.810 2.875 -2.253 0.00 0.00 -0.183 F ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.118 -1.183 1.004 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 2.432 -1.217 1.978 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 2.861 -0.132 0.300 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 4.767 -1.708 -0.365 0.00 0.00 +0.014 C ATOM 30 C LIG 1 4.386 -0.392 0.327 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 5.140 0.788 -0.273 0.00 0.00 -0.043 A ATOM 32 C LIG 1 5.061 1.096 -1.640 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.753 2.190 -2.166 0.00 0.00 +0.019 A ATOM 34 C LIG 1 6.533 2.994 -1.332 0.00 0.00 +0.052 A ATOM 35 C LIG 1 6.617 2.700 0.031 0.00 0.00 +0.019 A ATOM 36 C LIG 1 5.924 1.605 0.556 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 7.242 4.118 -1.871 0.00 0.00 +0.099 C ATOM 38 N LIG 1 7.813 5.028 -2.309 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10