REMARK  Name = BDB013841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.701   0.241   1.108  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        2.348   0.433   1.881  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.399  -0.119  -0.058  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        3.706  -0.647  -0.006  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        4.348  -1.087  -1.172  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        3.665  -1.010  -2.368  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.411  -0.540  -2.473  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        1.811  -0.128  -1.327  0.00  0.00    +0.134 A 
BRANCH   4   9
ATOM      9  C   LIG    1        4.439  -0.698   1.286  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1        4.125  -0.124   2.314  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1        5.542  -1.469   1.236  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        5.905  -1.421   2.146  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        0.629   1.240   1.045  0.00  0.00    +0.140 C 
BRANCH  13  17
ATOM     14  C   LIG    1       -3.288  -0.500   0.401  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -3.010   0.801  -0.032  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -1.747   1.373   0.163  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1       -0.734   0.626   0.794  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -1.034  -0.671   1.245  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -2.297  -1.234   1.044  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.886  -2.257   0.527  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.563  -0.927   0.141  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
BRANCH  16  22
ATOM     22  O   LIG    1       -1.404   2.645  -0.216  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -2.384   3.408  -0.911  0.00  0.00    +0.277 C 
ENDBRANCH  16  22
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 7