REMARK Name = BDB058101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.904 0.574 0.931 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.340 0.697 -0.350 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.035 0.519 -0.549 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.652 0.614 -1.923 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.445 1.786 -2.086 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -3.629 1.907 -1.403 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -4.089 1.134 -0.316 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.299 0.015 0.281 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -3.848 -1.214 0.480 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.257 -1.633 0.145 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -5.292 1.515 0.311 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -6.039 2.583 -0.172 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -7.186 2.912 0.436 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -5.609 3.319 -1.262 0.00 0.00 +0.042 A ATOM 15 C LIG 1 -4.400 2.987 -1.868 0.00 0.00 +0.049 A ATOM 16 C LIG 1 -1.860 0.242 0.551 0.00 0.00 -0.010 A ATOM 17 C LIG 1 -1.319 0.186 1.839 0.00 0.00 +0.009 A ATOM 18 C LIG 1 0.054 0.345 2.025 0.00 0.00 +0.006 A ENDROOT BRANCH 9 19 ATOM 19 C LIG 1 -3.084 -2.339 1.082 0.00 0.00 +0.179 A ATOM 20 N LIG 1 -1.946 -2.755 0.532 0.00 0.00 -0.272 N ATOM 21 H LIG 1 -1.433 -2.369 -0.240 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -1.483 -3.745 1.309 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -0.423 -4.334 1.169 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -2.395 -3.976 2.307 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.440 -3.019 2.117 0.00 0.00 -0.055 NA ENDBRANCH 9 19 BRANCH 1 26 ATOM 26 C LIG 1 2.393 0.718 1.166 0.00 0.00 +0.158 C BRANCH 26 28 ATOM 27 C LIG 1 4.006 0.663 -0.799 0.00 0.00 +0.111 A ATOM 28 N LIG 1 3.194 0.061 0.142 0.00 0.00 -0.323 N ATOM 29 C LIG 1 3.269 -1.306 -0.040 0.00 0.00 +0.069 A ATOM 30 C LIG 1 4.135 -1.460 -1.117 0.00 0.00 +0.089 A ATOM 31 C LIG 1 4.431 -2.748 -1.587 0.00 0.00 +0.030 A ATOM 32 C LIG 1 3.836 -3.849 -0.961 0.00 0.00 +0.002 A ATOM 33 C LIG 1 2.966 -3.671 0.115 0.00 0.00 +0.002 A ATOM 34 C LIG 1 2.667 -2.394 0.603 0.00 0.00 +0.028 A ATOM 35 N LIG 1 4.575 -0.244 -1.569 0.00 0.00 -0.232 NA BRANCH 27 36 ATOM 36 C LIG 1 4.208 2.136 -0.959 0.00 0.00 +0.074 C BRANCH 36 38 ATOM 37 C LIG 1 5.580 2.571 1.149 0.00 0.00 +0.004 C ATOM 38 C LIG 1 5.537 2.614 -0.372 0.00 0.00 +0.004 C ENDBRANCH 36 38 ENDBRANCH 27 36 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 5