REMARK  Name = BDB049266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.447   0.842  -0.518  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.120   1.006  -1.765  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        2.510   1.020  -1.770  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        2.833   1.227  -3.090  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        1.750   1.300  -3.828  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.343   0.869  -0.621  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.679   0.734   0.561  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        0.672   1.161  -2.994  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.214   0.705   0.586  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.835   0.617  -0.097  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.095   1.514   0.682  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.704   1.592   0.547  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.026   0.772  -0.367  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -1.770  -0.113  -1.156  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.159  -0.192  -1.020  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.343   0.539   0.030  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.284  -0.864   0.251  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -5.830  -0.800   0.406  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -5.460  -1.139   1.782  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.730   0.900  -0.848  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        4.977   0.640  -1.803  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.822   0.491   0.039  0.00  0.00    +0.180 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.958  -0.973   0.229  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1        6.132  -1.712  -0.903  0.00  0.00    -0.358 OA
ATOM     25  N   LIG    1        6.241  -3.050  -0.565  0.00  0.00    -0.086 NA
ATOM     26  C   LIG    1        6.137  -3.090   0.765  0.00  0.00    +0.157 A 
ATOM     27  C   LIG    1        5.961  -1.810   1.319  0.00  0.00    +0.069 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  28
ATOM     28  C   LIG    1        3.318   0.616   1.829  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        3.819   0.513   2.872  0.00  0.00    -0.191 NA
ENDBRANCH   7  28
TORSDOF 7