REMARK  Name = BDB025348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.310  -0.574   1.109  0.00  0.00    +0.279 C 
ATOM      2  N   LIG    1       -1.146  -0.566  -0.292  0.00  0.00    -0.197 N 
ATOM      3  C   LIG    1       -0.019  -0.263  -1.029  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.296   0.149  -0.481  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1        2.251   0.333  -1.589  0.00  0.00    -0.261 N 
ATOM      6  C   LIG    1        1.741   0.767  -2.901  0.00  0.00    +0.116 C 
ATOM      7  C   LIG    1        0.616  -0.137  -3.438  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        3.600   0.514  -1.319  0.00  0.00    +0.404 C 
ATOM      9  O   LIG    1        4.419   0.858  -2.162  0.00  0.00    -0.226 OA
ATOM     10  C   LIG    1       -0.362  -0.398  -2.356  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -1.696  -0.819  -2.343  0.00  0.00    +0.142 A 
ATOM     12  N   LIG    1       -2.176  -0.923  -1.110  0.00  0.00    -0.148 NA
ATOM     13  O   LIG    1       -0.311  -0.369   1.801  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  20
ATOM     14  C   LIG    1       -6.290   2.300   0.188  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -5.427   1.283   0.836  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -5.907   0.438   1.804  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -6.854   0.435   2.156  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -4.910  -0.401   2.249  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -3.756  -0.102   1.520  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -2.585  -0.843   1.800  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -2.601  -1.819   2.812  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -3.772  -2.092   3.513  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -4.950  -1.392   3.239  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.098   0.971   0.644  0.00  0.00    +0.031 A 
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  N   LIG    1       -2.420  -1.083  -3.434  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1       -2.166  -0.700  -4.334  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -3.421  -1.178  -3.296  0.00  0.00    +0.144 HD
ENDBRANCH  11  25
BRANCH   8  28
ATOM     28  O   LIG    1        3.898   0.271  -0.017  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.253   0.398   0.483  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        6.195  -0.601  -0.198  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        5.759   1.839   0.363  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        5.151   0.037   1.973  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 4