REMARK  Name = BDB008590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.175  -0.958  -0.906  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.094  -1.335  -0.148  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.325  -2.665   0.192  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.379  -3.352   0.990  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1        0.236  -2.638   1.418  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.006  -1.301   1.064  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        1.550  -4.783   1.420  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        3.576  -2.975  -0.421  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        4.325  -4.255  -0.388  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        0.956  -0.632   0.270  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.079  -1.935  -1.097  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.233  -0.520   1.506  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -2.055  -1.125   2.651  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -2.121  -0.139   0.379  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -2.558   1.199   0.343  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -2.273   1.993   1.247  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.384   1.665  -0.882  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -2.995   2.984  -1.307  0.00  0.00    -0.365 OA
ATOM     19  C   LIG    1       -3.980   3.994  -1.078  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -4.771   3.790   0.217  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1       -5.530   2.532   0.233  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -6.486   2.696  -0.082  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.902   1.515  -0.628  0.00  0.00    +0.122 C 
ENDBRANCH  15  17
BRANCH  14  24
ATOM     24  C   LIG    1       -2.293  -1.056  -0.729  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -3.634  -1.679  -1.038  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -2.503  -2.544  -0.591  0.00  0.00    +0.024 C 
ENDBRANCH  14  24
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1        3.413   0.344  -1.502  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.128   1.288  -0.545  0.00  0.00    +0.051 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.387   2.638  -1.199  0.00  0.00    +0.161 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.312   4.766  -0.785  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        5.036   3.479  -0.248  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8