REMARK  Name = BDB012760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.789   0.624   1.881  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.012   0.523   0.741  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.399   0.871   0.793  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1        0.866   0.813  -0.656  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1       -0.003  -0.309  -1.225  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -1.345  -0.086  -0.537  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.280   0.994   2.941  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.367   0.592  -0.738  0.00  0.00    +0.053 A 
ATOM      9  N   LIG    1        2.826  -0.601  -0.919  0.00  0.00    -0.198 NA
ATOM     10  C   LIG    1        4.184  -0.813  -0.982  0.00  0.00    +0.349 A 
ATOM     11  O   LIG    1        4.617  -1.946  -1.168  0.00  0.00    -0.244 OA
ATOM     12  N   LIG    1        5.037   0.293  -0.829  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        4.529   1.561  -0.629  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        3.219   1.786  -0.575  0.00  0.00    +0.041 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.504   0.119  -0.881  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        6.987  -0.375  -2.247  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        7.029  -0.762   0.256  0.00  0.00    +0.031 C 
ENDBRANCH  12  15
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1       -5.354  -0.180   1.515  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1       -5.190  -0.177   2.842  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1       -3.894   0.131   3.006  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1       -3.523   0.217   3.947  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1       -3.194   0.294   1.837  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -4.140   0.118   0.847  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.676  -1.719   0.040  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -6.704  -0.469   0.922  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -7.241   0.729   0.137  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 4