REMARK  Name = BDB065397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.480   0.446  -0.082  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1        0.774  -0.347  -0.952  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1        0.115  -1.254  -0.243  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        0.389  -1.029   1.054  0.00  0.00    -0.251 N 
ATOM      5  C   LIG    1        1.242   0.019   1.208  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        2.337   1.556  -0.577  0.00  0.00    +0.185 C 
BRANCH   6  13
ATOM      7  C   LIG    1        6.234  -0.842  -2.474  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        5.573   0.008  -1.443  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        6.316   0.443  -0.230  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1        5.782   1.143   0.723  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1        4.464   1.521   0.647  0.00  0.00    +0.350 A 
ATOM     12  O   LIG    1        3.940   2.154   1.562  0.00  0.00    -0.244 OA
ATOM     13  N   LIG    1        3.745   1.173  -0.496  0.00  0.00    -0.293 N 
ATOM     14  C   LIG    1        4.302   0.412  -1.498  0.00  0.00    +0.097 A 
BRANCH   9  15
ATOM     15  N   LIG    1        7.636   0.122  -0.058  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        8.049   0.658   0.700  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        8.214   0.119  -0.889  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   6  13
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1       -0.185  -1.863   2.082  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.408  -1.258   2.778  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.637  -1.115   1.872  0.00  0.00    +0.006 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.745   0.269   1.223  0.00  0.00    +0.035 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.869   0.321   0.218  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -5.160   0.698   0.607  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.198   0.726  -0.328  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.957   0.374  -1.661  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.669  -0.009  -2.053  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.632  -0.037  -1.117  0.00  0.00    +0.004 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -7.090   0.419  -2.616  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.235   0.736  -2.350  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.739   0.065  -3.865  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.573   0.141  -4.373  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10