REMARK Name = BDB006376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.249 -2.717 -0.686 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.485 -1.488 -1.040 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.919 -0.136 -0.868 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.106 0.699 -1.319 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.005 2.099 -1.269 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.183 2.655 -0.760 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.230 1.845 -0.318 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.134 -0.120 -1.756 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.100 0.448 -0.356 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.782 -1.448 -1.603 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.680 -2.576 -1.982 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.454 2.510 0.212 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.631 1.807 0.111 0.00 0.00 -0.310 N ATOM 14 H LIG 1 4.663 0.868 -0.265 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.387 3.636 0.693 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.865 2.288 0.700 0.00 0.00 +0.120 C BRANCH 16 17 ATOM 17 C LIG 1 7.072 1.468 0.208 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 N LIG 1 6.830 0.008 0.226 0.00 0.00 -0.297 NA ATOM 19 C LIG 1 6.783 -0.555 1.595 0.00 0.00 +0.112 C ATOM 20 C LIG 1 8.066 -1.297 2.005 0.00 0.00 +0.175 C ATOM 21 O LIG 1 8.390 -2.386 1.131 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 7.950 -2.178 -0.217 0.00 0.00 +0.175 C ATOM 23 C LIG 1 7.851 -0.691 -0.587 0.00 0.00 +0.112 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 24 ATOM 24 C LIG 1 -2.387 0.362 -2.342 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -3.563 0.244 -1.402 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -4.745 -0.374 -1.834 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -5.853 -0.470 -0.986 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.814 0.060 0.312 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -4.635 0.687 0.737 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -3.526 0.784 -0.109 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -6.975 -0.054 1.210 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -8.207 0.587 0.969 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -9.308 0.377 1.814 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -9.187 -0.449 2.930 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.972 -1.071 3.200 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.880 -0.879 2.348 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -8.421 1.495 -0.173 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -9.342 1.437 -0.965 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -7.516 2.487 -0.197 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -7.765 3.029 -0.972 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 9