REMARK  Name = BDB012087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.640  -1.096   0.961  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        1.358  -0.207   1.351  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.007  -1.546  -0.172  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.452  -2.452  -0.869  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.210  -0.832  -0.530  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -1.104  -0.103   0.251  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -1.154   0.153   1.716  0.00  0.00    +0.066 C 
ATOM      8  N   LIG    1       -2.050   0.378  -0.627  0.00  0.00    -0.268 N 
ATOM      9  N   LIG    1       -1.862  -0.030  -1.895  0.00  0.00    -0.179 NA
ATOM     10  C   LIG    1       -0.760  -0.775  -1.829  0.00  0.00    +0.147 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -3.177   1.258  -0.356  0.00  0.00    +0.147 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.543   0.566  -0.489  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -5.673   1.601  -0.388  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1       -7.035   0.919  -0.405  0.00  0.00    +0.160 C 
ATOM     15  O   LIG    1       -7.125  -0.043   0.644  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -6.165  -1.089   0.494  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1       -4.750  -0.528   0.568  0.00  0.00    +0.033 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  C   LIG    1        2.941  -1.581   1.362  0.00  0.00    +0.145 C 
BRANCH  18  25
ATOM     19  C   LIG    1        6.968   2.248  -0.360  0.00  0.00    +0.063 C 
ATOM     20  C   LIG    1        5.963   1.201   0.006  0.00  0.00    +0.016 A 
ATOM     21  N   LIG    1        5.077   1.506   1.010  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        5.114   2.411   1.461  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.086   0.667   1.450  0.00  0.00    +0.254 A 
ATOM     24  O   LIG    1        3.297   1.013   2.326  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        4.004  -0.683   0.798  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.882  -0.977  -0.188  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1        4.935  -2.268  -0.957  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        5.882   0.003  -0.591  0.00  0.00    +0.024 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5