REMARK  Name = BDB026328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.013   0.833   1.587  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.114   0.007   0.366  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.534   0.025  -0.241  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.510  -0.557   0.713  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        2.195  -0.325   2.140  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.258   0.887   2.342  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.837  -0.372   0.290  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.469  -1.237  -0.629  0.00  0.00    +0.151 A 
ATOM      9 CL   LIG    1        3.682  -2.641  -1.254  0.00  0.00    -0.060 Cl
ATOM     10  N   LIG    1        5.730  -1.108  -1.102  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1        6.426  -0.041  -0.636  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.917   0.883   0.266  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.611   0.712   0.725  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.826   0.111  -1.150  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.201  -0.847  -2.067  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.536  -1.600  -2.227  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.541  -0.943  -2.579  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.554   1.016  -0.759  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.137   0.402   2.440  0.00  0.00    +0.140 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.923   0.136  -0.579  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -6.289  -1.221  -0.610  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -6.838  -2.183  -1.139  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.059  -1.348  -0.018  0.00  0.00    -0.322 N 
ATOM     24  H   LIG    1       -4.652  -2.272  -0.056  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.388  -0.294   0.612  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1       -4.987   0.963   0.651  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -4.290   1.976   1.288  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1       -3.076   1.809   1.865  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1       -2.510   0.575   1.807  0.00  0.00    +0.057 A 
ATOM     30  C   LIG    1       -3.141  -0.504   1.191  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1       -6.296   1.156   0.034  0.00  0.00    +0.020 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.192   0.365  -2.737  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.277   0.275  -1.220  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5