REMARK  Name = BDB012660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.762  -0.196   0.343  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.822  -1.170   0.652  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -2.772   2.574  -1.246  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -2.092   1.402  -0.747  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.658   0.179  -0.495  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -1.606  -0.609  -0.033  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -1.863  -1.950   0.320  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.165  -2.433   0.191  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -4.202  -1.633  -0.272  0.00  0.00    +0.040 A 
ATOM     10  F   LIG    1       -3.422  -3.706   0.523  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.459   0.245  -0.049  0.00  0.00    +0.153 A 
ATOM     12  C   LIG    1       -3.970  -0.301  -0.627  0.00  0.00    +0.031 A 
ATOM     13  N   LIG    1       -0.777   1.464  -0.487  0.00  0.00    -0.155 NA
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1        2.021   0.447   0.414  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.172  -0.236   0.866  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        4.412   0.415   0.930  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.480   1.737   0.543  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        3.417   2.434   0.106  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        2.225   1.779   0.053  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1        3.075  -1.661   1.278  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        2.057  -2.333   1.267  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.245  -2.183   1.685  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        4.032  -3.111   1.921  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  14
TORSDOF 4