REMARK Name = BDB020559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.413 1.454 0.999 0.00 0.00 +0.011 A ATOM 2 C LIG 1 0.832 0.855 0.652 0.00 0.00 +0.010 A ATOM 3 C LIG 1 1.990 1.653 0.607 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.197 1.168 0.279 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.339 -0.155 -0.009 0.00 0.00 +0.083 A ATOM 6 C LIG 1 2.266 -1.034 -0.015 0.00 0.00 +0.044 A ATOM 7 C LIG 1 1.892 3.003 0.912 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.681 3.594 1.268 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.010 -0.508 0.327 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -0.471 2.819 1.313 0.00 0.00 +0.011 A ENDROOT BRANCH 1 18 ATOM 11 C LIG 1 -4.474 2.219 -2.711 0.00 0.00 +0.132 C ATOM 12 N LIG 1 -4.234 1.456 -1.498 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -5.243 0.607 -1.051 0.00 0.00 +0.235 C ATOM 14 O LIG 1 -6.294 0.442 -1.676 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -5.024 -0.141 0.253 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -3.667 -0.041 0.734 0.00 0.00 -0.320 N ATOM 17 C LIG 1 -2.806 0.951 0.359 0.00 0.00 +0.064 A ATOM 18 C LIG 1 -1.642 0.680 1.049 0.00 0.00 +0.094 A ATOM 19 N LIG 1 -1.787 -0.458 1.808 0.00 0.00 -0.232 NA ATOM 20 C LIG 1 -3.020 -0.870 1.602 0.00 0.00 +0.114 A ATOM 21 C LIG 1 -3.231 1.995 -0.588 0.00 0.00 +0.163 C BRANCH 20 22 ATOM 22 C LIG 1 -3.623 -2.131 2.282 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.724 -3.309 2.557 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -3.762 -3.397 1.477 0.00 0.00 +0.012 C ENDBRANCH 20 22 ENDBRANCH 1 18 BRANCH 5 25 ATOM 25 C LIG 1 4.710 -0.534 -0.309 0.00 0.00 +0.038 A ATOM 26 C LIG 1 5.577 0.243 -1.053 0.00 0.00 +0.118 A ATOM 27 N LIG 1 6.765 -0.424 -1.082 0.00 0.00 -0.274 N ATOM 28 C LIG 1 7.978 -0.008 -1.742 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.747 -1.580 -0.396 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.501 -1.638 0.084 0.00 0.00 +0.144 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 2.382 -2.485 -0.364 0.00 0.00 +0.374 C ATOM 32 F LIG 1 3.094 -2.718 -1.500 0.00 0.00 -0.204 F ATOM 33 F LIG 1 2.973 -3.220 0.618 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4