REMARK Name = BDB006458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.540 3.285 3.838 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.477 2.731 2.457 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.415 1.954 1.901 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.755 1.650 0.581 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.097 0.896 -0.247 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.318 0.453 0.276 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.679 0.736 1.596 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.990 2.228 0.338 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.818 1.490 2.410 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.438 2.886 1.468 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.740 3.610 1.524 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.982 0.300 2.176 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -3.600 -0.771 1.573 0.00 0.00 -0.307 N ATOM 14 H LIG 1 -3.089 -1.346 0.920 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -3.451 0.881 3.149 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.853 -1.295 2.064 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 -5.678 -1.822 0.918 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -6.379 -0.923 0.094 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -7.141 -1.373 -0.996 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -7.185 -2.750 -1.255 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.484 -3.651 -0.450 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.729 -3.189 0.630 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -7.895 -0.371 -1.854 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -9.408 -0.601 -1.782 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -7.407 -0.390 -3.309 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 2.671 2.218 -0.960 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.877 1.309 -0.995 0.00 0.00 -0.028 A ATOM 28 C LIG 1 5.089 1.782 -1.516 0.00 0.00 +0.006 A ATOM 29 C LIG 1 6.219 0.958 -1.562 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.170 -0.367 -1.100 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.948 -0.841 -0.602 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.815 -0.019 -0.555 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.368 -1.223 -1.126 0.00 0.00 -0.018 A ATOM 34 C LIG 1 8.572 -0.796 -0.538 0.00 0.00 +0.008 A ATOM 35 C LIG 1 9.712 -1.606 -0.555 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.667 -2.858 -1.163 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.485 -3.301 -1.750 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.345 -2.490 -1.732 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7