REMARK  Name = BDB025250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.316  -1.158   0.734  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.500  -0.032   0.533  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.097   1.282   0.854  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.166   1.679  -0.177  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.094   2.442   0.966  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.805   1.976   1.608  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.239   0.896   0.733  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.864   0.820   0.433  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.161   1.637   0.841  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.255   1.169   0.274  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.972   0.040  -0.463  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.383  -0.195  -0.384  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.216  -1.171  -0.934  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.579  -1.094  -0.621  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.102  -0.095   0.213  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.513  -1.089   1.004  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.474  -3.493   0.942  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.658  -2.352   0.679  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.921  -0.791  -1.187  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.442  -1.943  -0.314  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.342  -2.860  -1.040  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -3.546  -4.111  -0.273  0.00  0.00    +0.099 C 
ATOM     23  C   LIG    1       -4.473  -3.968   0.957  0.00  0.00    +0.096 C 
ATOM     24  N   LIG    1       -5.786  -3.390   0.625  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -6.268  -4.046   0.008  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.602  -2.129  -0.110  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1       -4.666  -2.267  -1.333  0.00  0.00    +0.099 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.608   1.780   0.445  0.00  0.00    +0.097 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.020   2.687  -0.711  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.114   3.779  -1.004  0.00  0.00    -0.271 N 
ATOM     31  N   LIG    1       -1.728   3.986  -2.280  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1       -0.946   5.066  -2.200  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -0.870   5.578  -0.893  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -1.656   4.735  -0.143  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 7