REMARK Name = BDB024642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.704 0.304 -0.641 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.614 -0.535 -0.349 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.870 -1.965 -0.076 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.180 -2.195 1.408 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.744 -2.854 -0.593 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.429 -2.474 0.047 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.190 -0.993 -0.034 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.870 -0.505 0.111 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.285 -1.215 0.308 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.262 -0.333 0.377 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.769 0.952 0.229 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.602 0.853 0.058 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.615 1.790 -0.128 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.925 1.304 -0.260 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.248 -0.063 -0.222 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.658 1.482 -0.977 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.509 2.214 0.235 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.123 2.542 1.611 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -3.395 3.388 1.505 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -3.300 4.415 0.374 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -3.178 3.713 -0.988 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.513 2.331 -0.921 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.130 5.228 0.531 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -2.287 6.264 1.493 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.050 0.457 -0.811 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.904 -0.347 -0.525 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.699 -0.718 0.579 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.273 -1.416 -0.673 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -2.954 -2.908 -0.695 0.00 0.00 -0.031 A ATOM 30 C LIG 1 -3.631 -3.814 0.137 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -3.316 -5.170 0.092 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -3.975 -6.024 0.886 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -2.334 -5.651 -0.763 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -1.645 -4.761 -1.584 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -1.951 -3.398 -1.548 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -4.768 -1.131 -0.815 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.383 -0.300 -0.161 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.377 -1.837 -1.798 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -4.793 -2.481 -2.248 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8