REMARK Name = BDB014489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.009 2.191 1.774 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 0.326 1.032 2.013 0.00 0.00 +0.251 C ATOM 3 N LIG 1 -0.521 0.119 2.595 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -0.103 -0.774 2.846 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.830 0.454 3.139 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 -2.885 0.931 2.111 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 -2.669 2.305 1.779 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 -1.706 2.426 1.629 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -2.912 0.038 0.845 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 -4.043 0.161 -0.093 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -5.319 -0.284 0.486 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -6.483 -0.161 -0.477 0.00 0.00 -0.030 A ATOM 13 C LIG 1 -6.418 0.719 -1.573 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -7.516 0.839 -2.436 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -8.681 0.111 -2.197 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.757 -0.743 -1.100 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.145 1.480 -1.854 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -7.665 -0.877 -0.241 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.194 1.512 -0.648 0.00 0.00 +0.089 C ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 1.712 0.493 1.655 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 1.831 -0.884 2.010 0.00 0.00 -0.483 OA BRANCH 21 22 ATOM 22 C LIG 1 3.006 -1.507 1.691 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.117 -0.907 1.099 0.00 0.00 +0.058 A ATOM 24 C LIG 1 5.255 -1.679 0.819 0.00 0.00 +0.040 A ATOM 25 C LIG 1 5.303 -3.033 1.167 0.00 0.00 +0.013 A ATOM 26 C LIG 1 4.194 -3.630 1.761 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.051 -2.869 2.016 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 6.454 -1.059 0.210 0.00 0.00 +0.247 C ATOM 29 N LIG 1 6.312 -0.343 -0.972 0.00 0.00 -0.293 N ATOM 30 C LIG 1 7.486 0.343 -1.514 0.00 0.00 +0.136 C ATOM 31 C LIG 1 7.076 1.420 -2.522 0.00 0.00 +0.179 C ATOM 32 O LIG 1 6.300 0.922 -3.621 0.00 0.00 -0.377 OA ATOM 33 C LIG 1 5.601 -0.299 -3.341 0.00 0.00 +0.179 C ATOM 34 C LIG 1 5.160 -0.424 -1.879 0.00 0.00 +0.136 C ATOM 35 O LIG 1 7.529 -1.201 0.787 0.00 0.00 -0.270 OA ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 9