REMARK Name = BDB035233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.852 2.936 2.086 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -4.888 1.783 1.931 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -5.159 0.784 1.018 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -4.197 -0.195 0.751 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -4.271 -0.954 -0.216 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.031 -0.274 1.660 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -2.918 0.752 2.599 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -1.838 0.757 3.482 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -0.888 -0.258 3.439 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -1.008 -1.284 2.500 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.063 -1.306 1.574 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -3.844 1.794 2.695 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -6.352 0.801 0.150 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -5.973 1.246 -1.268 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -5.085 2.063 -1.503 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -6.772 0.773 -2.284 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -6.530 1.083 -3.215 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -7.929 0.043 -2.177 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -8.622 -0.192 -3.163 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -8.349 -0.363 -0.784 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -7.147 -0.510 0.138 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -2.204 -2.381 0.672 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -2.965 -2.179 0.008 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.023 -2.883 -0.031 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 -0.506 -1.864 -1.051 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 0.702 -2.409 -1.815 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 1.201 -1.468 -2.915 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 1.639 -0.074 -2.454 0.00 0.00 +0.001 C BRANCH 28 29 ATOM 29 C LIG 1 2.700 -0.038 -1.348 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 4.021 -0.694 -1.758 0.00 0.00 +0.081 C BRANCH 30 31 ATOM 31 N LIG 1 5.023 -0.681 -0.687 0.00 0.00 -0.310 NA ATOM 32 H LIG 1 4.603 -1.052 0.165 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 5.641 0.630 -0.442 0.00 0.00 +0.028 C ATOM 34 C LIG 1 5.039 1.560 0.595 0.00 0.00 +0.034 C ATOM 35 C LIG 1 6.332 0.891 0.864 0.00 0.00 +0.025 C ATOM 36 C LIG 1 7.720 1.381 0.629 0.00 0.00 +0.119 C ATOM 37 C LIG 1 8.166 0.190 1.500 0.00 0.00 +0.042 C ATOM 38 F LIG 1 7.891 2.622 1.126 0.00 0.00 -0.241 F ATOM 39 C LIG 1 7.957 1.323 -0.878 0.00 0.00 +0.043 C ATOM 40 C LIG 1 6.711 -0.030 1.943 0.00 0.00 +0.015 C ATOM 41 C LIG 1 6.555 1.209 -1.512 0.00 0.00 +0.026 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 11