REMARK  Name = BDB012634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.587  -0.877  -0.043  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.969  -0.260   1.028  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.293  -0.622   0.960  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.519  -1.442  -0.107  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1       -0.669  -1.623  -0.754  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -5.183   0.153   0.103  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.825   0.058   0.420  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.003  -0.749  -0.358  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -3.462  -1.447  -1.429  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -4.772  -1.329  -1.725  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -5.661  -0.552  -1.002  0.00  0.00    +0.030 A 
BRANCH   6  14
ATOM     12 CL   LIG    1       -8.555  -0.344   0.922  0.00  0.00    -0.060 Cl
ATOM     13  C   LIG    1       -7.364   0.816   1.232  0.00  0.00    +0.152 A 
ATOM     14  C   LIG    1       -6.043   0.995   0.909  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -5.606   2.146   1.528  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1       -6.623   2.678   2.199  0.00  0.00    -0.066 NA
ATOM     17  N   LIG    1       -7.681   1.871   2.024  0.00  0.00    -0.246 N 
ATOM     18  H   LIG    1       -8.559   2.098   2.474  0.00  0.00    +0.192 HD
ENDBRANCH   6  14
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1        1.789  -2.037  -0.474  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.548  -1.236  -1.535  0.00  0.00    +0.057 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.145   0.051  -0.996  0.00  0.00    -0.038 A 
ATOM     22  C   LIG    1        4.365   0.084  -0.261  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        4.825   1.331   0.236  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        6.022   1.401   0.968  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.778   0.258   1.220  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.346  -0.971   0.741  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.083   2.497   0.000  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.893   2.453  -0.718  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.157  -1.056   0.011  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        2.427   1.241  -1.212  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5