REMARK Name = BDB028081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.025 1.059 0.122 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.462 0.993 -1.177 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.071 0.924 -1.385 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.260 0.922 -0.254 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.229 0.850 -0.144 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.468 0.895 1.294 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.271 0.980 2.007 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.049 1.049 3.203 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.815 0.996 1.018 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.179 1.069 1.238 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.777 0.788 1.839 0.00 0.00 +0.038 A ATOM 12 C LIG 1 3.902 0.802 0.998 0.00 0.00 +0.033 A ATOM 13 C LIG 1 5.203 0.642 1.498 0.00 0.00 +0.002 A ATOM 14 C LIG 1 5.384 0.469 2.872 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.285 0.481 3.727 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.994 0.644 3.214 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.353 0.657 0.590 0.00 0.00 +0.079 A ATOM 18 N LIG 1 7.388 1.566 0.687 0.00 0.00 -0.266 N ATOM 19 C LIG 1 7.508 2.673 1.610 0.00 0.00 +0.173 C ATOM 20 N LIG 1 8.364 1.379 -0.223 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.920 0.358 -0.954 0.00 0.00 +0.146 A ATOM 22 C LIG 1 6.674 -0.125 -0.514 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 5.815 -1.289 -1.109 0.00 0.00 +0.167 A ATOM 24 N LIG 1 6.099 -2.101 -2.178 0.00 0.00 -0.316 N ATOM 25 C LIG 1 7.274 -2.119 -3.004 0.00 0.00 +0.152 C ATOM 26 C LIG 1 5.029 -2.931 -2.327 0.00 0.00 +0.225 A ATOM 27 N LIG 1 4.134 -2.664 -1.408 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 4.632 -1.641 -0.639 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -0.488 0.824 -2.768 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.577 1.656 -2.945 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.369 1.138 -3.758 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.033 -0.427 -3.051 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.529 1.149 0.303 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 -8.963 -0.303 -1.328 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.540 -0.735 -0.978 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.668 0.474 -0.618 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -5.261 0.106 -0.424 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -5.057 -1.252 0.096 0.00 0.00 +0.088 C ATOM 39 C LIG 1 -6.211 -1.837 0.925 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -6.313 -1.193 2.312 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -7.550 -1.758 0.170 0.00 0.00 +0.009 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6