REMARK Name = BDB003306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.784 2.328 0.121 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.677 1.688 0.574 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -0.756 0.347 0.739 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.936 -0.393 0.453 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -3.065 0.316 -0.009 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.257 -0.372 -0.303 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -4.358 -1.764 -0.160 0.00 0.00 -0.021 A ATOM 8 C LIG 1 -3.237 -2.466 0.293 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.047 -1.795 0.589 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.982 1.700 -0.174 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 0.394 -0.333 1.243 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.700 -0.154 0.709 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.854 -0.385 1.481 0.00 0.00 -0.025 A ATOM 14 C LIG 1 4.129 -0.221 0.912 0.00 0.00 +0.014 A ATOM 15 C LIG 1 4.287 0.140 -0.434 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.150 0.349 -1.227 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.760 -0.771 2.934 0.00 0.00 +0.038 C ATOM 18 C LIG 1 1.372 -1.279 3.287 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.877 0.185 -0.645 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.332 -0.328 2.716 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 5.630 0.280 -0.958 0.00 0.00 +0.020 A ATOM 22 C LIG 1 6.558 1.184 -0.486 0.00 0.00 +0.116 A ATOM 23 N LIG 1 7.681 1.000 -1.239 0.00 0.00 -0.274 N ATOM 24 C LIG 1 8.930 1.714 -1.126 0.00 0.00 +0.172 C ATOM 25 N LIG 1 7.549 0.042 -2.173 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 6.302 -0.405 -1.994 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 3.246 0.730 -2.683 0.00 0.00 +0.372 C ATOM 28 F LIG 1 2.067 1.185 -3.201 0.00 0.00 -0.204 F ATOM 29 F LIG 1 3.604 -0.323 -3.471 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 7 30 ATOM 30 C LIG 1 -5.619 -2.472 -0.459 0.00 0.00 -0.040 C ATOM 31 C LIG 1 -6.088 -3.544 0.495 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -7.571 -3.846 0.284 0.00 0.00 +0.165 C ATOM 33 O LIG 1 -7.823 -4.092 -1.100 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -7.622 -2.920 -1.894 0.00 0.00 +0.187 C ATOM 35 C LIG 1 -6.348 -2.199 -1.557 0.00 0.00 +0.005 C ENDBRANCH 7 30 BRANCH 1 39 ATOM 36 C LIG 1 -0.037 5.673 0.009 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -0.407 4.308 0.259 0.00 0.00 -0.313 N ATOM 38 H LIG 1 0.303 3.611 0.476 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -1.653 3.810 -0.061 0.00 0.00 +0.262 C ATOM 40 O LIG 1 -2.585 4.492 -0.470 0.00 0.00 -0.269 OA ENDBRANCH 1 39 TORSDOF 5