REMARK  Name = BDB012612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.470   0.999  -0.431  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.154   0.544  -0.545  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.731  -0.020  -1.747  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        2.542  -0.128  -2.824  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        3.800   0.340  -2.707  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        4.304   0.902  -1.548  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.617   1.345   2.099  0.00  0.00    +0.163 A 
ATOM      8  C   LIG    1        3.992   1.584   0.793  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        5.032   2.485   0.796  0.00  0.00    -0.128 NA
ATOM     10  N   LIG    1        5.295   2.822   2.051  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        4.446   2.141   2.832  0.00  0.00    -0.247 N 
ATOM     12  H   LIG    1        4.502   2.266   3.837  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  N   LIG    1        1.841  -0.196   3.138  0.00  0.00    -0.189 NA
ATOM     14  C   LIG    1        2.647   0.491   2.665  0.00  0.00    +0.121 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        0.375  -0.537  -1.893  0.00  0.00    +0.107 A 
ATOM     16  N   LIG    1       -0.347  -0.514  -3.067  0.00  0.00    -0.234 NA
ATOM     17  C   LIG    1       -1.504  -1.070  -2.785  0.00  0.00    +0.200 A 
ATOM     18  N   LIG    1       -1.568  -1.449  -1.475  0.00  0.00    -0.332 N 
ATOM     19  C   LIG    1       -0.371  -1.129  -0.892  0.00  0.00    +0.117 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.675  -2.146  -0.842  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.416  -1.254   0.128  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -4.463  -0.394  -0.266  0.00  0.00    +0.064 A 
ATOM     23 CL   LIG    1       -4.981  -0.363  -1.922  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -5.092   0.427   0.686  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1       -6.386   1.502   0.280  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -4.685   0.398   2.022  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -3.653  -0.447   2.420  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.024  -1.264   1.482  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  15
TORSDOF 5