REMARK Name = BDB046396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.067 -1.641 1.056 0.00 0.00 +0.248 C ATOM 2 N LIG 1 0.424 -2.347 0.069 0.00 0.00 -0.307 N ATOM 3 H LIG 1 0.432 -1.953 -0.866 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.992 -1.953 2.243 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.377 1.336 1.434 0.00 0.00 -0.046 A ATOM 6 C LIG 1 2.581 0.209 1.677 0.00 0.00 +0.020 A ATOM 7 C LIG 1 1.882 -0.447 0.641 0.00 0.00 +0.078 A ATOM 8 C LIG 1 1.982 0.047 -0.675 0.00 0.00 +0.132 A ATOM 9 C LIG 1 2.773 1.179 -0.914 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.457 1.817 0.126 0.00 0.00 +0.007 A BRANCH 8 11 ATOM 11 O LIG 1 1.282 -0.602 -1.663 0.00 0.00 -0.494 OA ATOM 12 C LIG 1 1.439 -0.147 -3.004 0.00 0.00 +0.277 C ENDBRANCH 8 11 BRANCH 5 13 ATOM 13 C LIG 1 4.105 2.014 2.571 0.00 0.00 +0.049 C BRANCH 13 14 ATOM 14 C LIG 1 5.636 1.839 2.615 0.00 0.00 +0.102 C BRANCH 14 16 ATOM 15 C LIG 1 5.725 -0.438 3.773 0.00 0.00 +0.004 C ATOM 16 C LIG 1 6.131 0.383 2.558 0.00 0.00 +0.011 C ENDBRANCH 14 16 BRANCH 14 17 ATOM 17 C LIG 1 6.304 2.672 1.533 0.00 0.00 +0.308 C ATOM 18 O LIG 1 6.777 2.231 0.497 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 6.328 3.996 1.818 0.00 0.00 -0.480 OA ATOM 20 H LIG 1 5.963 4.226 2.692 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 -0.538 -3.383 0.354 0.00 0.00 +0.139 C BRANCH 21 22 ATOM 22 C LIG 1 -1.941 -2.836 0.292 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -2.676 -2.878 -0.900 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -3.962 -2.337 -0.960 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -4.535 -1.737 0.169 0.00 0.00 -0.047 A ATOM 26 C LIG 1 -3.796 -1.687 1.358 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -2.511 -2.228 1.418 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 -5.913 -1.124 0.097 0.00 0.00 +0.040 C BRANCH 28 29 ATOM 29 C LIG 1 -5.896 0.402 -0.067 0.00 0.00 +0.040 C BRANCH 29 30 ATOM 30 C LIG 1 -5.485 0.854 -1.449 0.00 0.00 -0.047 A ATOM 31 C LIG 1 -6.426 0.921 -2.485 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -6.042 1.322 -3.765 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.713 1.657 -4.022 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.769 1.590 -3.001 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.152 1.190 -1.719 0.00 0.00 +0.003 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12