REMARK Name = BDB024397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.838 -1.329 0.271 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.571 -2.249 -0.683 0.00 0.00 -0.001 A ATOM 3 C LIG 1 2.708 -2.955 -0.267 0.00 0.00 +0.047 A ATOM 4 C LIG 1 3.390 -3.750 -1.178 0.00 0.00 +0.142 A ATOM 5 F LIG 1 4.486 -4.419 -0.800 0.00 0.00 -0.204 F ATOM 6 C LIG 1 2.933 -3.820 -2.480 0.00 0.00 +0.149 A ATOM 7 N LIG 1 1.845 -3.151 -2.925 0.00 0.00 -0.260 NA ATOM 8 C LIG 1 1.181 -2.398 -2.015 0.00 0.00 +0.116 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 -0.712 -1.522 0.233 0.00 0.00 +0.240 C ATOM 10 N LIG 1 -1.374 -0.332 0.478 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.764 0.469 0.610 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -1.219 -2.622 0.041 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 -2.754 -0.141 0.526 0.00 0.00 +0.125 A ATOM 14 N LIG 1 -3.597 -1.165 0.327 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.928 -0.915 0.386 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -5.486 0.334 0.637 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.589 1.383 0.840 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -3.213 1.146 0.783 0.00 0.00 +0.044 A BRANCH 16 19 ATOM 19 C LIG 1 -6.924 0.518 0.692 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -7.588 1.710 0.479 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -8.920 1.438 0.610 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -10.016 2.366 0.470 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -9.178 0.151 0.895 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -7.965 -0.408 0.942 0.00 0.00 +0.143 A ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 N LIG 1 1.159 0.113 0.027 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 1.039 0.300 -0.970 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 2.520 0.480 0.453 0.00 0.00 +0.089 C BRANCH 27 29 ATOM 28 C LIG 1 3.208 1.854 -1.598 0.00 0.00 +0.014 C ATOM 29 C LIG 1 3.539 0.652 -0.704 0.00 0.00 +0.030 C BRANCH 29 30 ATOM 30 C LIG 1 4.956 0.749 -0.157 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.367 1.830 0.638 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.672 1.891 1.138 0.00 0.00 +0.019 A ATOM 33 C LIG 1 7.583 0.872 0.851 0.00 0.00 +0.052 A ATOM 34 C LIG 1 7.183 -0.210 0.063 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.879 -0.270 -0.437 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 8.920 0.935 1.364 0.00 0.00 +0.099 C ATOM 37 N LIG 1 10.002 0.990 1.782 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9