REMARK  Name = BDB034684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.542  -1.472   0.052  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.188  -1.579  -0.301  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.038  -2.736  -1.067  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.185  -3.119  -1.568  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.280  -2.294  -1.279  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.147  -1.116  -0.499  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.295  -3.339  -1.192  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.567  -4.548  -1.914  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.883  -0.758  -0.008  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.249  -2.563  -0.504  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.447  -2.776  -0.409  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.294  -0.317  -0.300  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.155  -0.861  -0.285  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.434   1.062  -0.022  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.492   1.546   0.770  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        4.539   2.908   1.039  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        5.774   3.638   1.993  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        3.633   3.806   0.592  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        2.630   3.327  -0.165  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        2.490   1.988  -0.487  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.489   0.664   1.285  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        6.281  -0.097   1.661  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.149  -0.414   0.824  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.848   0.640  -0.042  0.00  0.00    +0.114 C 
ATOM     25  C   LIG    1       -1.881   1.479  -0.873  0.00  0.00    +0.021 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.680   1.558   0.827  0.00  0.00    +0.311 C 
ATOM     27  O   LIG    1       -4.833   1.878   0.571  0.00  0.00    -0.250 OA
BRANCH  26  29
ATOM     28  C   LIG    1       -3.689   2.918   2.733  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -2.963   2.023   1.889  0.00  0.00    -0.468 OA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7