REMARK  Name = BDB012856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.596  -0.577  -1.304  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.529   0.144  -0.789  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.774   0.060  -1.430  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.693   0.924  -0.564  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.083   0.746   0.828  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.413   0.725   0.543  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.439  -1.313  -2.277  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.927  -0.720   0.170  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.616   0.561   0.410  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.404   0.709  -0.146  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.993   1.635  -0.150  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.877  -0.442  -0.660  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.879  -1.381  -0.511  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.422  -0.601  -0.086  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.245  -1.297   0.601  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.412  -1.262   2.121  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.091   0.541  -0.620  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.309  -0.444  -0.702  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.066   1.392  -0.138  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        3.826   2.514   0.292  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.458   0.865  -0.120  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.894  -0.106  -1.030  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        7.210  -0.561  -0.969  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1        7.747  -1.758  -2.083  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        8.098  -0.056  -0.020  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        7.670   0.924   0.876  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.354   1.387   0.823  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4