REMARK Name = BDB058263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.957 -0.555 -0.003 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.151 0.729 0.514 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.059 1.420 1.020 0.00 0.00 -0.040 A ATOM 4 C LIG 1 4.056 2.779 1.651 0.00 0.00 +0.038 C ATOM 5 C LIG 1 2.560 3.131 1.631 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.802 1.797 1.678 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.421 1.858 1.019 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.170 2.220 -0.122 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.492 1.403 1.933 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.121 1.044 3.093 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.392 0.509 4.062 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.454 1.381 3.012 0.00 0.00 -0.281 N ATOM 13 H LIG 1 2.107 0.988 3.676 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.779 0.854 1.036 0.00 0.00 -0.012 A ATOM 15 C LIG 1 2.570 -0.421 0.537 0.00 0.00 +0.008 A ATOM 16 C LIG 1 3.663 -1.118 0.012 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 7.692 -3.215 -1.903 0.00 0.00 +0.129 C ATOM 18 N LIG 1 8.093 -1.991 -1.253 0.00 0.00 -0.302 N ATOM 19 H LIG 1 9.065 -1.713 -1.306 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 7.321 -1.049 -0.634 0.00 0.00 +0.304 C ATOM 21 N LIG 1 5.988 -1.345 -0.551 0.00 0.00 -0.269 N ATOM 22 H LIG 1 5.713 -2.252 -0.890 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 7.880 -0.041 -0.214 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -1.877 1.132 1.629 0.00 0.00 +0.213 C BRANCH 24 25 ATOM 25 C LIG 1 -2.000 -0.253 0.974 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.223 -0.567 0.367 0.00 0.00 -0.289 N ATOM 27 C LIG 1 -3.308 -1.835 -0.385 0.00 0.00 +0.117 C ATOM 28 C LIG 1 -4.739 -2.270 -0.768 0.00 0.00 +0.251 C ATOM 29 O LIG 1 -5.400 -1.456 -1.731 0.00 0.00 -0.490 OA ATOM 30 C LIG 1 -5.696 -0.156 -1.454 0.00 0.00 +0.125 A ATOM 31 C LIG 1 -5.293 0.596 -0.343 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -5.697 1.946 -0.269 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -6.464 2.520 -1.277 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -6.854 1.781 -2.379 0.00 0.00 +0.042 A ATOM 35 F LIG 1 -6.829 3.805 -1.176 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.467 0.446 -2.464 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.476 0.047 0.791 0.00 0.00 +0.147 C ATOM 38 O LIG 1 -1.049 -1.041 0.973 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -2.310 -1.847 -1.535 0.00 0.00 +0.013 C ATOM 40 C LIG 1 -2.640 -2.085 -2.993 0.00 0.00 +0.006 C ATOM 41 C LIG 1 -2.237 -0.713 -2.533 0.00 0.00 +0.006 C ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 4