REMARK Name = BDB064482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.799 -0.962 0.064 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.459 -0.003 1.050 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.121 0.274 1.389 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.134 -0.436 0.711 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.353 -0.364 0.841 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.829 -1.338 -0.135 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.237 -1.951 -0.802 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.258 -2.800 -1.674 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.472 -1.375 -0.256 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.781 -1.660 -0.598 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.214 -1.585 -0.344 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.186 -0.904 0.411 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.582 -1.093 0.248 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.970 -2.022 -0.731 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.030 -2.717 -1.491 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.666 -2.499 -1.297 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.627 -0.259 1.146 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -7.122 -0.716 1.220 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -7.095 -0.572 2.755 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.780 0.653 3.337 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.556 -0.548 2.688 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.481 1.286 0.797 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.721 1.897 -0.404 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.160 1.297 -1.634 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -5.425 3.212 -0.222 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.013 3.404 1.009 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.037 2.188 1.648 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.766 1.302 2.428 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.089 2.356 1.896 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.957 0.793 3.398 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.840 1.829 3.075 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.255 -1.226 -0.268 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 9.559 0.894 -1.442 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.101 1.125 -1.046 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.396 -0.227 -0.814 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.946 -0.033 -0.778 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.426 0.382 -2.094 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.435 1.165 -2.947 0.00 0.00 +0.016 C ATOM 39 C LIG 1 7.371 1.999 -2.082 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 6