REMARK  Name = BDB057021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.073  -0.376   0.668  0.00  0.00    -0.290 N 
ATOM      2  H   LIG    1        0.162   0.589   0.891  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.854  -3.351   0.587  0.00  0.00    +0.067 C 
ATOM      4  C   LIG    1       -3.352  -1.945   0.750  0.00  0.00    +0.057 A 
ATOM      5  N   LIG    1       -1.980  -1.791   0.634  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -1.435  -0.603   0.763  0.00  0.00    +0.167 A 
ATOM      7  C   LIG    1       -2.307   0.532   1.030  0.00  0.00    +0.179 A 
ATOM      8  N   LIG    1       -3.664   0.353   1.129  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -4.204   1.600   1.353  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -3.115   2.455   1.382  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -1.933   1.784   1.183  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.191  -0.917   0.988  0.00  0.00    +0.116 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.686   2.021   1.529  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -6.117   3.316   1.708  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1       -7.477   3.255   1.804  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -8.134   4.019   1.933  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1       -7.961   2.006   1.708  0.00  0.00    -0.182 NA
ATOM     18  C   LIG    1       -6.867   1.256   1.541  0.00  0.00    +0.144 A 
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1        0.939  -1.191   0.273  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        0.796  -2.758  -0.420  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        2.414  -3.018  -0.658  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        3.091  -1.957  -0.217  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        2.289  -0.897   0.327  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        4.584  -1.973  -0.307  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.950  -0.929  -1.333  0.00  0.00    +0.047 A 
ATOM     26  N   LIG    1        5.393   0.270  -0.868  0.00  0.00    -0.254 NA
ATOM     27  CA  LIG    1        5.725   1.224  -1.782  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1        5.629   1.018  -3.153  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        5.172  -0.212  -3.613  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.831  -1.200  -2.696  0.00  0.00    +0.024 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.221   2.546  -1.241  0.00  0.00    +0.211 C 
BRANCH  31  32
ATOM     32  O   LIG    1        6.199   2.557   0.187  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1        5.902   1.656   0.433  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  19
TORSDOF 7