REMARK  Name = BDB003884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.692  -1.988   1.450  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.187  -2.408   0.230  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        0.062  -1.920  -0.345  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -0.639  -0.960   0.295  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.210  -0.501   1.538  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.955  -1.013   2.116  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.782  -0.492  -0.304  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -2.545   0.666   0.130  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.729   0.723  -0.859  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -4.167   2.180  -0.971  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.638   2.982  -1.739  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.079   2.632  -0.059  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -4.977   3.645  -0.073  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.399   2.481  -0.383  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.093   3.478  -0.579  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.993   1.092  -0.382  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -6.186   0.030  -1.113  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.853  -0.240  -0.421  0.00  0.00    +0.018 C 
ATOM     19  C   LIG    1       -3.053   0.231  -2.156  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -2.048  -0.830  -1.697  0.00  0.00    +0.107 C 
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.954  -2.576   2.026  0.00  0.00    +0.121 C 
BRANCH  21  27
ATOM     22  C   LIG    1        5.347   2.603  -0.759  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        5.878   1.196  -0.875  0.00  0.00    +0.213 C 
ATOM     24  N   LIG    1        5.345   0.253  -0.015  0.00  0.00    -0.299 N 
ATOM     25  C   LIG    1        5.767  -1.144  -0.140  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1        4.649  -2.113   0.288  0.00  0.00    +0.103 C 
ATOM     27  N   LIG    1        4.212  -1.910   1.678  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        4.351  -0.524   2.143  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        4.351   0.537   1.026  0.00  0.00    +0.123 C 
ATOM     30  O   LIG    1        6.750   0.926  -1.700  0.00  0.00    -0.276 OA
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 3