REMARK  Name = BDB028735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.294   1.368  -0.657  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -1.925   0.281  -1.628  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.780   0.732  -2.591  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        0.381   1.326  -1.914  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        1.660   1.017  -2.362  0.00  0.00    +0.230 C 
ATOM      6  O   LIG    1        1.855   0.350  -3.384  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        0.092   2.157  -0.737  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -1.390   2.534  -0.623  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.998   0.349   0.765  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.711   0.935   0.616  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -1.877   1.105   1.670  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -2.257   0.575   2.860  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -3.447  -0.104   3.062  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -3.841  -0.756   4.601  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -4.327  -0.226   1.994  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -4.869   0.185  -0.340  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -5.847   0.191  -0.076  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -4.651   0.894  -1.039  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.639  -1.104  -1.031  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.526  -2.165  -1.295  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.311  -3.437  -0.756  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.202  -3.666   0.052  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.941  -5.227   0.725  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.309  -2.635   0.326  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.528  -1.364  -0.213  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        2.857   1.520  -1.537  0.00  0.00    +0.180 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.004   0.730  -0.305  0.00  0.00    -0.292 NA
ATOM     28  C   LIG    1        3.948   1.338   0.636  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1        3.992   0.559   1.976  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1        3.879  -0.907   1.877  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1        4.499  -1.347   2.555  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        4.204  -1.369   0.528  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1        3.393  -0.669  -0.595  0.00  0.00    +0.100 C 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 5