REMARK Name = BDB025818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.201 -1.098 0.423 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.579 0.141 0.127 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.814 0.235 0.030 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.637 -0.888 0.239 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.002 -2.101 0.541 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.727 -3.210 0.758 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.387 -2.212 0.630 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.381 -4.011 -0.916 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.165 -2.693 -0.866 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.148 -2.772 0.247 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.485 -2.391 -0.216 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.746 -1.974 1.436 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.346 -2.598 2.701 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.207 -1.868 1.611 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.612 -1.160 0.463 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.221 -1.459 -0.856 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.105 -0.778 0.141 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.802 0.265 0.764 0.00 0.00 +0.010 A ATOM 19 C LIG 1 5.199 0.372 0.664 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.968 -0.548 -0.061 0.00 0.00 +0.030 A ATOM 21 C LIG 1 5.260 -1.587 -0.680 0.00 0.00 +0.024 A ATOM 22 C LIG 1 3.864 -1.703 -0.584 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 N LIG 1 7.343 -0.439 -0.158 0.00 0.00 -0.326 N ATOM 24 C LIG 1 8.133 0.375 0.778 0.00 0.00 +0.133 C ATOM 25 C LIG 1 9.571 -0.165 0.862 0.00 0.00 +0.178 C ATOM 26 O LIG 1 10.267 -0.176 -0.392 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.396 -0.320 -1.522 0.00 0.00 +0.178 C ATOM 28 C LIG 1 8.106 -1.105 -1.225 0.00 0.00 +0.133 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.452 1.239 -0.034 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.425 0.972 0.098 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.135 2.552 -0.268 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.026 3.056 -0.374 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.347 3.412 -0.351 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.198 3.479 -1.526 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.276 4.285 -1.503 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.609 5.100 -0.303 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -5.613 5.802 -0.324 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.728 4.987 0.769 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -3.966 5.771 1.972 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -2.619 4.157 0.731 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -2.833 2.670 -2.731 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.944 1.339 -2.487 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.647 2.927 -3.789 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.568 2.900 -3.154 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6