REMARK Name = BDB024958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.920 -0.153 0.380 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.753 -0.739 0.900 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.930 -1.989 1.670 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.588 -1.720 3.033 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.639 -2.786 1.918 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.727 -2.717 0.712 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.395 -1.270 0.485 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.093 -0.843 0.150 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.043 -1.592 -0.011 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.010 -0.745 -0.300 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.521 0.550 -0.369 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.825 0.505 -0.056 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.819 1.479 0.067 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.112 1.047 0.391 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.423 -0.306 0.581 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.054 -0.533 0.664 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.294 1.750 -0.688 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.506 2.636 0.549 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.376 3.848 0.216 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -1.905 4.609 -1.034 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -0.639 4.029 -1.671 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -0.758 2.524 -1.911 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -1.727 6.094 -0.768 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.315 6.963 -1.394 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.841 6.388 0.208 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.433 5.618 0.643 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.883 1.391 -1.108 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.699 0.838 -0.532 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.444 -1.150 -0.524 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.682 -1.402 -2.017 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -2.770 -2.396 0.318 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -4.184 -2.729 0.310 0.00 0.00 -0.270 N ATOM 33 N LIG 1 -5.076 -1.873 0.843 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -6.250 -2.480 0.652 0.00 0.00 +0.143 A ATOM 35 C LIG 1 -6.120 -3.730 0.009 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -4.759 -3.860 -0.194 0.00 0.00 +0.117 A BRANCH 35 37 ATOM 37 C LIG 1 -7.208 -4.667 -0.348 0.00 0.00 +0.374 C ATOM 38 F LIG 1 -8.427 -4.069 -0.262 0.00 0.00 -0.204 F ATOM 39 F LIG 1 -7.087 -5.094 -1.635 0.00 0.00 -0.204 F ENDBRANCH 35 37 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 8