REMARK  Name = BDB027628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.418  -1.501  -0.097  0.00  0.00    -0.322 N 
ATOM      2  H   LIG    1        1.165  -2.217   0.580  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.820  -1.443  -0.151  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        3.537  -2.619  -0.432  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        4.927  -2.492  -0.440  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1        5.644  -3.649  -0.706  0.00  0.00    +0.139 A 
ATOM      7  N   LIG    1        5.119  -4.876  -0.963  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        3.778  -4.960  -0.966  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        5.556  -1.332  -0.210  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        4.788  -0.257   0.022  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        2.955  -3.879  -0.711  0.00  0.00    +0.033 A 
ATOM     12  N   LIG    1        3.445  -0.278   0.060  0.00  0.00    -0.212 NA
BRANCH  10  13
ATOM     13  C   LIG    1        5.464   1.032   0.263  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        6.863   1.140   0.263  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        7.454   2.372   0.495  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.761   3.504   0.727  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        5.417   3.397   0.725  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.738   2.209   0.503  0.00  0.00    +0.031 A 
ENDBRANCH  10  13
ENDBRANCH   1   3
BRANCH   1  20
ATOM     19  C   LIG    1        0.811   0.727  -1.059  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1        0.560  -0.298   0.062  0.00  0.00    +0.040 C 
ATOM     21  C   LIG    1        0.753   0.330   1.453  0.00  0.00    +0.032 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -0.926  -0.820  -0.073  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -1.975   0.195   0.080  0.00  0.00    -0.305 NA
ATOM     24  H   LIG    1       -1.973   0.580   1.028  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.312  -0.369  -0.187  0.00  0.00    +0.202 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.397   0.593   0.297  0.00  0.00    +0.322 C 
ATOM     27  O   LIG    1       -4.239   1.422   1.184  0.00  0.00    -0.249 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.560   0.337  -0.363  0.00  0.00    -0.458 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -6.757   1.106  -0.079  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1       -7.822   0.534  -1.028  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.557   2.590  -0.407  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -7.224   0.896   1.365  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 9