REMARK Name = BDB046398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.841 1.484 1.829 0.00 0.00 +0.248 C ATOM 2 N LIG 1 0.019 1.009 2.789 0.00 0.00 -0.307 N ATOM 3 H LIG 1 -0.231 0.141 3.251 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.562 2.429 1.096 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.443 0.974 0.793 0.00 0.00 -0.046 A ATOM 6 C LIG 1 -3.161 1.506 0.982 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -2.174 0.808 1.705 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -2.477 -0.462 2.235 0.00 0.00 +0.132 A ATOM 9 C LIG 1 -3.766 -0.983 2.061 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.737 -0.274 1.346 0.00 0.00 +0.007 A BRANCH 8 11 ATOM 11 O LIG 1 -1.497 -1.126 2.930 0.00 0.00 -0.494 OA ATOM 12 C LIG 1 -1.618 -2.543 3.021 0.00 0.00 +0.277 C ENDBRANCH 8 11 BRANCH 5 13 ATOM 13 C LIG 1 -5.485 1.741 0.015 0.00 0.00 +0.049 C BRANCH 13 14 ATOM 14 C LIG 1 -5.189 1.851 -1.492 0.00 0.00 +0.102 C BRANCH 14 16 ATOM 15 C LIG 1 -4.867 0.611 -3.697 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -5.207 0.493 -2.216 0.00 0.00 +0.011 C ENDBRANCH 14 16 BRANCH 14 17 ATOM 17 C LIG 1 -6.160 2.851 -2.093 0.00 0.00 +0.308 C ATOM 18 O LIG 1 -5.830 3.968 -2.462 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 -7.442 2.430 -2.168 0.00 0.00 -0.480 OA ATOM 20 H LIG 1 -7.603 1.526 -1.844 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 5 13 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 1.391 1.447 2.886 0.00 0.00 +0.139 C BRANCH 21 22 ATOM 22 C LIG 1 2.310 0.461 2.212 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.928 -0.560 2.942 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.757 -1.483 2.297 0.00 0.00 +0.046 A ATOM 25 C LIG 1 3.972 -1.411 0.919 0.00 0.00 +0.121 A ATOM 26 C LIG 1 3.360 -0.394 0.188 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.529 0.531 0.830 0.00 0.00 +0.009 A BRANCH 25 28 ATOM 28 O LIG 1 4.809 -2.372 0.423 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 4.895 -2.530 -0.997 0.00 0.00 +0.264 C BRANCH 29 30 ATOM 30 C LIG 1 5.911 -1.617 -1.647 0.00 0.00 -0.010 A ATOM 31 C LIG 1 5.730 -1.207 -2.976 0.00 0.00 +0.007 A ATOM 32 C LIG 1 6.673 -0.388 -3.600 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.811 0.021 -2.908 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.010 -0.393 -1.592 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.068 -1.212 -0.967 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12