REMARK Name = BDB056316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.575 -0.147 0.665 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.400 -0.805 -0.090 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.636 -1.689 -0.925 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.897 -0.420 0.263 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.181 0.658 1.163 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.459 1.868 1.103 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.745 2.898 2.015 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.750 2.746 2.967 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.482 1.566 3.014 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.565 2.114 0.027 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -2.202 0.533 2.117 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.828 1.293 0.226 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.867 -0.935 1.249 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.765 -0.968 0.430 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.702 -1.640 -0.330 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.948 -0.198 2.230 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.991 -1.911 0.839 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.625 -3.312 1.320 0.00 0.00 +0.034 C BRANCH 17 19 ATOM 19 N LIG 1 6.273 -1.519 1.460 0.00 0.00 -0.306 NA ATOM 20 H LIG 1 6.051 -1.047 2.344 0.00 0.00 +0.123 HD BRANCH 19 22 ATOM 21 C LIG 1 6.512 0.776 0.458 0.00 0.00 +0.020 C ATOM 22 C LIG 1 7.080 -0.625 0.629 0.00 0.00 +0.078 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 23 ATOM 23 C LIG 1 -2.015 -1.192 -0.305 0.00 0.00 +0.153 C BRANCH 23 24 ATOM 24 C LIG 1 -3.026 -0.364 -1.087 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -4.414 -0.309 -0.742 0.00 0.00 -0.010 A ATOM 26 C LIG 1 -5.273 0.536 -1.500 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -6.638 0.637 -1.186 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -7.181 -0.095 -0.136 0.00 0.00 +0.018 A ATOM 29 C LIG 1 -6.377 -0.940 0.611 0.00 0.00 +0.016 A ATOM 30 BR LIG 1 -9.021 0.056 0.267 0.00 0.00 -0.050 Br ATOM 31 C LIG 1 -4.767 1.279 -2.573 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -3.429 1.191 -2.931 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.015 -1.046 0.310 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -2.578 0.358 -2.212 0.00 0.00 +0.125 A BRANCH 34 35 ATOM 35 O LIG 1 -1.259 0.311 -2.587 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -1.084 -0.567 -3.700 0.00 0.00 +0.277 C ENDBRANCH 34 35 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7