REMARK  Name = BDB058648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.793  -1.152   0.399  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.464   0.175   0.044  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.888   0.559   0.039  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.909  -0.320   0.372  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1        1.565  -1.635   0.722  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.603  -2.503   1.059  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        3.919  -2.047   1.028  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        4.192  -0.735   0.651  0.00  0.00    +0.122 A 
ATOM      9  N   LIG    1        3.184   0.112   0.344  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.221  -2.048   0.734  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -1.502   1.064  -0.335  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -1.667   1.091  -1.801  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -2.666   2.176  -2.188  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -2.185   3.564  -1.765  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -1.201   3.519  -0.595  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -1.504   2.366   0.357  0.00  0.00    +0.105 C 
ENDBRANCH   2  11
BRANCH   8  17
ATOM     17  N   LIG    1        5.500  -0.259   0.631  0.00  0.00    -0.311 N 
ATOM     18  C   LIG    1        6.552  -1.110   0.047  0.00  0.00    +0.134 C 
ATOM     19  C   LIG    1        7.335  -0.350  -1.038  0.00  0.00    +0.178 C 
ATOM     20  O   LIG    1        7.938   0.865  -0.570  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1        7.144   1.549   0.414  0.00  0.00    +0.178 C 
ATOM     22  C   LIG    1        5.652   1.183   0.376  0.00  0.00    +0.134 C 
ENDBRANCH   8  17
BRANCH   1  25
ATOM     23  O   LIG    1       -2.180  -3.732   0.933  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1       -2.765  -2.686   0.675  0.00  0.00    +0.253 C 
ATOM     25  N   LIG    1       -2.166  -1.476   0.409  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1       -2.773  -0.681   0.193  0.00  0.00    +0.155 HD
BRANCH  24  27
ATOM     27  C   LIG    1       -4.219  -2.662   0.625  0.00  0.00    +0.101 A 
ATOM     28  C   LIG    1       -5.070  -1.601   0.372  0.00  0.00    +0.168 A 
ATOM     29  N   LIG    1       -6.370  -2.115   0.454  0.00  0.00    -0.221 N 
ATOM     30  C   LIG    1       -7.471  -1.286   0.260  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -7.301   0.016  -0.006  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -5.884   0.466  -0.075  0.00  0.00    +0.114 A 
ATOM     33  N   LIG    1       -6.376  -3.438   0.731  0.00  0.00    -0.173 NA
ATOM     34  N   LIG    1       -4.831  -0.278   0.095  0.00  0.00    -0.235 NA
ATOM     35  C   LIG    1       -5.085  -3.756   0.836  0.00  0.00    +0.150 A 
ENDBRANCH  24  27
ENDBRANCH   1  25
TORSDOF 4