REMARK Name = BDB003449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.029 0.860 -0.186 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -1.299 0.616 0.329 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.399 -0.763 0.384 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.567 -1.365 0.878 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -3.638 -0.558 1.306 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -3.508 0.837 1.235 0.00 0.00 +0.006 A ATOM 7 N LIG 1 -0.263 -1.345 -0.085 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -2.345 1.450 0.749 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.544 -0.373 -0.479 0.00 0.00 +0.132 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 1.922 -0.638 -1.062 0.00 0.00 +0.150 C ATOM 11 N LIG 1 2.318 -2.066 -0.889 0.00 0.00 -0.259 N ATOM 12 C LIG 1 1.681 -3.101 -1.606 0.00 0.00 +0.246 C ATOM 13 O LIG 1 1.985 -4.296 -1.491 0.00 0.00 -0.273 OA ATOM 14 C LIG 1 0.521 -2.759 -2.582 0.00 0.00 +0.256 C ATOM 15 O LIG 1 0.398 -1.524 -3.262 0.00 0.00 -0.370 OA ATOM 16 C LIG 1 1.655 -0.998 -3.622 0.00 0.00 +0.162 C ATOM 17 C LIG 1 2.186 -0.139 -2.492 0.00 0.00 +0.059 C BRANCH 11 18 ATOM 18 C LIG 1 3.338 -2.371 0.032 0.00 0.00 +0.036 C ATOM 19 C LIG 1 3.387 -1.668 1.315 0.00 0.00 +0.022 C ATOM 20 C LIG 1 4.199 -2.051 2.315 0.00 0.00 +0.014 C ATOM 21 C LIG 1 5.126 -3.226 2.183 0.00 0.00 +0.227 C ATOM 22 F LIG 1 4.543 -4.295 2.798 0.00 0.00 -0.238 F ATOM 23 C LIG 1 5.428 -3.566 0.713 0.00 0.00 +0.228 C ATOM 24 F LIG 1 5.845 -4.858 0.608 0.00 0.00 -0.238 F ATOM 25 C LIG 1 4.296 -3.282 -0.232 0.00 0.00 +0.036 C ENDBRANCH 11 18 ENDBRANCH 9 10 BRANCH 5 26 ATOM 26 C LIG 1 -4.916 -1.159 1.841 0.00 0.00 +0.109 C ATOM 27 C LIG 1 -4.738 -2.048 3.065 0.00 0.00 +0.214 C ATOM 28 C LIG 1 -4.944 -1.303 4.373 0.00 0.00 +0.056 C ATOM 29 O LIG 1 -5.751 -3.060 2.938 0.00 0.00 -0.390 OA ATOM 30 N LIG 1 -6.046 -3.210 1.562 0.00 0.00 -0.093 NA ATOM 31 C LIG 1 -5.581 -2.163 0.960 0.00 0.00 +0.066 C ATOM 32 C LIG 1 -5.765 -1.942 -0.508 0.00 0.00 +0.065 C ENDBRANCH 5 26 BRANCH 1 36 ATOM 33 C LIG 1 1.434 4.832 -0.919 0.00 0.00 +0.118 C ATOM 34 C LIG 1 0.938 4.015 -2.116 0.00 0.00 +0.033 C ATOM 35 C LIG 1 0.037 2.853 -1.677 0.00 0.00 +0.027 C ATOM 36 C LIG 1 0.479 2.224 -0.341 0.00 0.00 +0.089 C ATOM 37 C LIG 1 1.967 2.464 -0.054 0.00 0.00 +0.027 C ATOM 38 C LIG 1 2.300 3.964 0.011 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 -0.301 6.455 -0.686 0.00 0.00 +0.194 C ATOM 40 O LIG 1 0.325 5.300 -0.141 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5