REMARK Name = BDB047787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.397 -0.543 0.486 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.404 -1.681 0.319 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -1.791 -1.577 0.127 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.364 -0.294 0.112 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -1.593 0.870 0.281 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.210 0.722 0.470 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.623 -2.779 -0.048 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.325 -3.735 -1.022 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.121 -4.881 -1.186 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -4.257 -5.127 -0.397 0.00 0.00 +0.029 A ATOM 11 C LIG 1 -4.531 -4.163 0.588 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.740 -3.014 0.758 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -5.040 -6.278 -0.551 0.00 0.00 -0.336 N ATOM 14 C LIG 1 -6.367 -6.315 0.060 0.00 0.00 +0.129 C ATOM 15 C LIG 1 -4.881 -7.083 -1.761 0.00 0.00 +0.129 C ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 16 ATOM 16 C LIG 1 -2.217 2.203 0.258 0.00 0.00 -0.018 A ATOM 17 C LIG 1 -3.037 2.605 -0.799 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -3.631 3.879 -0.816 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -3.430 4.817 0.210 0.00 0.00 +0.029 A ATOM 20 C LIG 1 -2.618 4.388 1.272 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -2.019 3.117 1.297 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 N LIG 1 -4.037 6.079 0.197 0.00 0.00 -0.336 N ATOM 23 C LIG 1 -3.557 7.104 1.121 0.00 0.00 +0.129 C ATOM 24 C LIG 1 -4.607 6.576 -1.054 0.00 0.00 +0.129 C ENDBRANCH 19 22 ENDBRANCH 5 16 BRANCH 1 25 ATOM 25 C LIG 1 1.884 -0.674 0.719 0.00 0.00 +0.264 C BRANCH 25 26 ATOM 26 O LIG 1 2.572 0.145 -0.226 0.00 0.00 -0.487 OA BRANCH 26 32 ATOM 27 C LIG 1 6.960 -1.101 1.770 0.00 0.00 +0.047 C ATOM 28 C LIG 1 6.128 -0.343 0.770 0.00 0.00 -0.005 A ATOM 29 C LIG 1 6.733 0.514 -0.168 0.00 0.00 +0.124 A ATOM 30 C LIG 1 5.933 1.203 -1.081 0.00 0.00 +0.049 A ATOM 31 C LIG 1 4.545 1.044 -1.060 0.00 0.00 +0.049 A ATOM 32 C LIG 1 3.934 0.200 -0.133 0.00 0.00 +0.121 A ATOM 33 C LIG 1 4.729 -0.493 0.779 0.00 0.00 +0.052 A BRANCH 29 34 ATOM 34 O LIG 1 8.099 0.602 -0.099 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 8.745 1.473 -1.032 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 10.241 1.432 -0.770 0.00 0.00 +0.343 C ATOM 37 O LIG 1 11.064 2.079 -1.403 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 10.587 0.603 0.245 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 9.776 0.187 0.613 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 26 32 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11