REMARK Name = BDB024171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.030 -0.110 0.031 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.805 -1.608 0.218 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.538 -2.102 1.506 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.338 -3.466 1.724 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.412 -4.359 0.659 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.694 -3.890 -0.623 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.895 -2.525 -0.842 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.523 0.519 -1.912 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.524 0.835 -2.871 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.741 0.420 -1.406 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.651 0.788 -2.165 0.00 0.00 -0.273 OA BRANCH 8 17 ATOM 12 C LIG 1 -3.061 -0.638 1.987 0.00 0.00 +0.066 C ATOM 13 C LIG 1 -3.070 -0.292 0.526 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -4.250 -0.226 -0.222 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -4.140 0.129 -1.568 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -2.885 0.382 -2.121 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -1.759 0.271 -1.317 0.00 0.00 +0.125 A ATOM 18 N LIG 1 -1.846 -0.045 -0.018 0.00 0.00 -0.236 NA BRANCH 14 19 ATOM 19 C LIG 1 -5.555 -0.513 0.334 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -6.627 0.355 0.302 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.654 -0.290 0.928 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -8.987 0.214 1.156 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.331 -1.523 1.357 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.054 -1.660 0.990 0.00 0.00 +0.143 A ENDBRANCH 14 19 ENDBRANCH 8 17 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.383 0.335 0.497 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.500 1.293 0.158 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.503 -0.459 -0.030 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.890 0.139 0.335 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.124 0.120 1.853 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 5.121 1.494 -0.328 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.462 1.533 -1.690 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.659 2.749 -2.349 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.516 3.952 -1.654 0.00 0.00 +0.052 A ATOM 34 C LIG 1 5.173 3.929 -0.300 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.975 2.710 0.356 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 5.713 5.202 -2.327 0.00 0.00 +0.099 C ATOM 37 N LIG 1 5.873 6.215 -2.870 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9