REMARK  Name = BDB000323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.400  -0.031  -0.683  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -1.099  -0.224  -0.180  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.253  -1.255  -0.624  0.00  0.00    +0.033 A 
ATOM      4  N   LIG    1        1.039  -1.430  -0.132  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1        1.888  -2.474  -0.715  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.080  -3.704  -1.085  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.017  -3.308  -2.094  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.790  -2.141  -1.585  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -2.080  -1.950  -2.109  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.877  -0.903  -1.664  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.138   0.959   0.847  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1       -3.229   1.082  -0.202  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.163   2.355  -0.776  0.00  0.00    +0.129 A 
ATOM     14  N   LIG    1       -3.903   3.389  -0.352  0.00  0.00    -0.199 NA
ATOM     15  C   LIG    1       -4.724   3.172   0.671  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1       -4.890   1.998   1.280  0.00  0.00    -0.219 NA
BRANCH  13  17
ATOM     17  N   LIG    1       -2.288   2.625  -1.847  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.484   1.981  -2.608  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -1.334   2.439  -1.547  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -5.499   4.228   1.103  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -6.346   3.876   1.526  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.593   4.898   0.352  0.00  0.00    +0.145 HD
ENDBRANCH  15  20
BRANCH  11  24
ATOM     23  C   LIG    1       -3.449  -0.396   2.844  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -4.338  -0.328   1.611  0.00  0.00    +0.053 C 
ENDBRANCH  11  24
ENDBRANCH   1  12
BRANCH   4  25
ATOM     25  C   LIG    1        1.676  -0.490   0.800  0.00  0.00    +0.105 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.099   0.834   0.151  0.00  0.00    +0.019 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.152   0.748  -0.961  0.00  0.00    +0.013 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.489   0.129  -0.553  0.00  0.00    +0.120 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.269   0.973   0.429  0.00  0.00    +0.307 C 
ATOM     30  O   LIG    1        5.023   2.134   0.720  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.306   0.243   0.929  0.00  0.00    -0.468 OA
ATOM     32  C   LIG    1        7.121   0.956   1.861  0.00  0.00    +0.280 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 10