REMARK Name = BDB025665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.836 0.593 0.376 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.409 -0.739 0.166 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.101 -1.125 0.483 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.816 -0.205 1.026 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.367 1.108 1.231 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.190 2.029 1.758 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.932 1.508 0.918 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -5.343 4.508 0.342 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -5.291 3.050 0.299 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -4.532 2.520 1.454 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -4.041 1.069 1.254 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -3.173 0.932 0.052 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -3.295 2.044 -0.920 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.753 2.550 -0.985 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 2.189 -0.617 1.367 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.308 0.139 0.990 0.00 0.00 +0.016 A ATOM 17 C LIG 1 4.603 -0.270 1.333 0.00 0.00 -0.015 A ATOM 18 C LIG 1 4.732 -1.459 2.041 0.00 0.00 +0.115 A ATOM 19 N LIG 1 3.689 -2.221 2.433 0.00 0.00 -0.262 NA ATOM 20 C LIG 1 2.453 -1.783 2.087 0.00 0.00 +0.119 A BRANCH 17 21 ATOM 21 C LIG 1 5.815 0.526 0.930 0.00 0.00 +0.118 C BRANCH 21 22 ATOM 22 N LIG 1 6.480 -0.093 -0.211 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 5.788 -0.293 -0.934 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 7.580 0.673 -0.795 0.00 0.00 +0.082 C ATOM 25 C LIG 1 8.649 1.279 0.118 0.00 0.00 +0.178 C ATOM 26 O LIG 1 9.277 2.336 -0.632 0.00 0.00 -0.378 OA ATOM 27 C LIG 1 8.498 2.579 -1.812 0.00 0.00 +0.161 C ATOM 28 C LIG 1 7.168 1.881 -1.617 0.00 0.00 +0.049 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 4 15 BRANCH 2 29 ATOM 29 N LIG 1 -2.382 -1.609 -0.369 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.272 -1.132 -0.517 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.254 -2.935 -0.691 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.250 -3.630 -0.622 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.521 -3.514 -1.222 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.699 -3.773 -0.401 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.795 -4.306 -0.977 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.810 -4.627 -2.426 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.805 -5.096 -2.961 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.647 -4.365 -3.106 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.649 -4.603 -4.092 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.524 -3.828 -2.527 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -4.639 -3.474 1.065 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.589 -2.138 1.296 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -5.734 -3.932 1.728 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.562 -4.029 1.669 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8