REMARK Name = BDB025091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.210 -0.303 0.643 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.983 -0.935 0.369 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.969 -2.399 0.166 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.250 -2.753 -1.300 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.688 -3.036 0.695 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.478 -2.445 0.010 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.519 -0.943 0.026 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.317 -0.220 -0.162 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.045 -0.707 -0.349 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.744 0.346 -0.463 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.013 1.517 -0.387 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -1.309 1.165 -0.175 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -2.479 1.901 -0.001 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.671 1.183 0.178 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.732 -0.221 0.197 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.383 0.878 0.919 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.486 2.894 -0.484 0.00 0.00 +0.115 C ATOM 18 C LIG 1 1.192 3.369 0.790 0.00 0.00 +0.184 C ATOM 19 O LIG 1 1.671 4.698 0.598 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 2.716 4.801 -0.368 0.00 0.00 +0.160 C ATOM 21 C LIG 1 2.698 3.711 -1.439 0.00 0.00 +0.030 C ATOM 22 C LIG 1 1.285 3.234 -1.758 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 -8.540 -0.588 0.857 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -7.266 -1.174 0.584 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 2.228 0.246 -0.662 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 2.769 -1.173 -0.393 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 4.245 -1.095 0.004 0.00 0.00 -0.033 A ATOM 28 C LIG 1 4.645 -1.506 1.286 0.00 0.00 +0.013 A ATOM 29 C LIG 1 5.986 -1.410 1.694 0.00 0.00 +0.018 A ATOM 30 C LIG 1 6.935 -0.904 0.797 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.552 -0.495 -0.478 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.217 -0.587 -0.872 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 C LIG 1 6.407 -1.892 3.059 0.00 0.00 +0.372 C ATOM 34 F LIG 1 7.464 -1.198 3.567 0.00 0.00 -0.204 F ATOM 35 F LIG 1 5.416 -1.784 3.990 0.00 0.00 -0.204 F ENDBRANCH 29 33 ENDBRANCH 26 27 BRANCH 26 36 ATOM 36 C LIG 1 2.521 -2.092 -1.595 0.00 0.00 +0.313 C ATOM 37 O LIG 1 3.380 -2.485 -2.372 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 1.226 -2.459 -1.750 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 0.609 -1.994 -1.130 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 8