REMARK Name = BDB060153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.422 0.126 0.143 0.00 0.00 -0.314 N ATOM 2 C LIG 1 -0.309 0.435 -0.688 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.314 1.120 -1.896 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.890 1.323 -2.573 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.095 0.859 -2.035 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.121 0.209 -0.797 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.910 -0.018 -0.152 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.637 -0.712 1.137 0.00 0.00 +0.058 C ATOM 9 C LIG 1 -0.872 -0.942 1.014 0.00 0.00 +0.111 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.733 -0.121 -0.527 0.00 0.00 +0.192 C BRANCH 10 13 ATOM 11 C LIG 1 -5.276 2.269 -2.112 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.524 1.130 -1.805 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -3.477 1.174 -0.866 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -3.201 2.396 -0.237 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.940 3.538 -0.548 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.976 3.475 -1.482 0.00 0.00 +0.045 A BRANCH 11 18 ATOM 17 C LIG 1 -7.115 3.169 -3.317 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -6.263 2.066 -3.036 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 10 13 BRANCH 10 19 ATOM 19 C LIG 1 -3.665 -0.998 0.359 0.00 0.00 +0.257 C ATOM 20 N LIG 1 -4.010 -0.434 1.604 0.00 0.00 -0.184 N ATOM 21 H LIG 1 -3.684 0.500 1.840 0.00 0.00 +0.177 HD ATOM 22 O LIG 1 -4.064 -2.099 -0.002 0.00 0.00 -0.272 OA BRANCH 20 23 ATOM 23 S LIG 1 -4.925 -1.163 2.769 0.00 0.00 +0.074 S ATOM 24 O LIG 1 -5.117 -0.163 3.799 0.00 0.00 -0.150 OA ATOM 25 O LIG 1 -4.336 -2.445 3.085 0.00 0.00 -0.150 OA BRANCH 23 26 ATOM 26 C LIG 1 -6.487 -1.407 1.970 0.00 0.00 +0.109 A ATOM 27 C LIG 1 -7.367 -0.327 1.835 0.00 0.00 +0.029 A ATOM 28 C LIG 1 -8.604 -0.523 1.220 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -8.960 -1.790 0.753 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -8.083 -2.867 0.902 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.845 -2.680 1.516 0.00 0.00 +0.029 A ENDBRANCH 23 26 ENDBRANCH 20 23 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 6 32 ATOM 32 N LIG 1 3.386 -0.316 -0.365 0.00 0.00 -0.192 N BRANCH 32 33 ATOM 33 S LIG 1 3.966 0.207 1.151 0.00 0.00 +0.076 S ATOM 34 O LIG 1 3.714 1.625 1.308 0.00 0.00 -0.150 OA ATOM 35 O LIG 1 3.459 -0.718 2.143 0.00 0.00 -0.150 OA BRANCH 33 36 ATOM 36 C LIG 1 5.757 -0.011 0.990 0.00 0.00 +0.115 A ATOM 37 C LIG 1 6.444 -1.031 1.696 0.00 0.00 -0.023 A ATOM 38 C LIG 1 5.802 -1.996 2.656 0.00 0.00 +0.046 C ATOM 39 C LIG 1 7.835 -1.164 1.514 0.00 0.00 +0.008 A ATOM 40 C LIG 1 8.551 -0.313 0.670 0.00 0.00 -0.050 A ATOM 41 C LIG 1 10.036 -0.472 0.526 0.00 0.00 +0.044 C ATOM 42 C LIG 1 7.869 0.703 0.003 0.00 0.00 +0.008 A ATOM 43 C LIG 1 6.478 0.868 0.141 0.00 0.00 -0.023 A ATOM 44 C LIG 1 5.851 2.014 -0.612 0.00 0.00 +0.046 C ENDBRANCH 33 36 ENDBRANCH 32 33 BRANCH 32 45 ATOM 45 C LIG 1 3.632 -1.739 -0.714 0.00 0.00 +0.251 C BRANCH 45 46 ATOM 46 C LIG 1 4.880 -1.870 -1.556 0.00 0.00 +0.324 C ATOM 47 O LIG 1 5.302 -1.077 -2.384 0.00 0.00 -0.249 OA BRANCH 46 48 ATOM 48 O LIG 1 5.531 -3.033 -1.339 0.00 0.00 -0.479 OA ATOM 49 H LIG 1 6.320 -2.973 -1.920 0.00 0.00 +0.295 HD ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 32 45 ENDBRANCH 6 32 TORSDOF 12