REMARK  Name = BDB007499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.837  -0.182  -1.310  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.830  -0.461  -0.117  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.674  -0.549   0.634  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.765  -0.488   1.640  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.105  -0.703   0.611  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -4.265  -0.055   0.163  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -5.505  -0.245   0.801  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.539  -1.112   1.910  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.389  -1.772   2.354  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.173  -1.573   1.704  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.712   0.456   0.320  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -6.511   1.714  -0.150  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1       -7.583   2.399  -0.603  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -8.870   1.894  -0.618  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -9.070   0.605  -0.142  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -7.981  -0.124   0.332  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.613  -0.144   0.072  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.150  -1.158  -0.951  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.285  -2.449  -0.337  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.410  -2.630   0.051  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.483  -0.707  -1.595  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.516  -0.177  -0.675  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.592   0.459  -1.467  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.780   0.907  -0.644  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.032   0.347   0.620  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.157   0.752   1.350  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.043   1.689   0.818  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.807   2.232  -0.443  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.056  -0.636   1.211  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.683   1.841  -1.172  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.101  -1.234   0.167  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7