REMARK Name = BDB024892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.651 0.327 0.046 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.636 -0.496 0.568 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.022 -1.695 1.342 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.235 -1.349 2.821 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.043 -2.847 1.136 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.648 -2.439 1.550 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.257 -1.128 0.930 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.883 -0.801 0.835 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.198 -1.544 1.236 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.270 -0.841 0.910 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.907 0.374 0.356 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.472 0.403 0.281 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.393 1.333 -0.195 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.755 1.011 -0.089 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.221 -0.195 0.460 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.507 1.306 -0.677 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.826 1.430 -0.061 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.659 2.731 0.745 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.661 3.818 0.325 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.667 4.024 -1.194 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.846 2.721 -1.972 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.805 1.678 -1.575 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.055 3.522 0.847 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.442 2.478 1.346 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.888 4.571 0.719 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.740 4.259 1.092 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.973 0.712 -0.073 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.900 -0.086 0.429 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.687 -1.312 1.150 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -3.554 -1.498 -0.083 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -3.147 -2.250 -1.206 0.00 0.00 +0.126 A ATOM 32 C LIG 1 -4.001 -2.371 -2.311 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -5.257 -1.760 -2.308 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -5.662 -1.036 -1.198 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -6.866 -0.449 -1.196 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.833 -0.905 -0.093 0.00 0.00 +0.048 A BRANCH 31 37 ATOM 37 O LIG 1 -1.907 -2.823 -1.132 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -1.448 -3.581 -2.241 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -2.622 -2.562 1.846 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -1.677 -2.816 1.803 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8