REMARK  Name = BDB049347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.518   1.956  -1.381  0.00  0.00    +0.000 N 
ATOM      2  C   LIG    1        0.119   0.834  -1.013  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        1.409   0.890  -1.418  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.278  -0.155  -1.125  0.00  0.00    +0.000 A 
ATOM      5  N   LIG    1        1.773  -1.215  -0.422  0.00  0.00    +0.000 NA
ATOM      6  C   LIG    1        0.465  -1.246  -0.013  0.00  0.00    +0.000 A 
ATOM      7 CL   LIG    1       -0.129  -2.617   0.896  0.00  0.00    +0.000 Cl
ATOM      8  N   LIG    1        1.652   2.047  -2.061  0.00  0.00    +0.000 NA
ATOM      9  N   LIG    1       -0.376  -0.210  -0.305  0.00  0.00    +0.000 NA
ATOM     10  C   LIG    1        0.444   2.674  -2.018  0.00  0.00    +0.000 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.873   1.041   0.190  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -3.526   0.438  -1.170  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -2.884   1.532  -2.033  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -1.913   2.361  -1.168  0.00  0.00    +0.000 C 
ATOM     15 SE   LIG    1       -2.402   2.198   0.715  0.00  0.00    +0.000 Se
BRANCH  11  19
ATOM     16  C   LIG    1       -5.771  -1.395   2.588  0.00  0.00    +0.000 C 
ATOM     17  N   LIG    1       -5.455  -0.367   1.601  0.00  0.00    +0.000 N 
ATOM     18  H   LIG    1       -6.253   0.136   1.153  0.00  0.00    +0.000 HD
ATOM     19  C   LIG    1       -4.114  -0.027   1.221  0.00  0.00    +0.000 C 
ATOM     20  O   LIG    1       -3.134  -0.652   1.712  0.00  0.00    +0.000 OA
ENDBRANCH  11  19
BRANCH  12  21
ATOM     21  O   LIG    1       -4.687  -0.068  -1.779  0.00  0.00    +0.000 OA
ATOM     22  H   LIG    1       -4.387  -0.618  -2.549  0.00  0.00    +0.000 HD
ENDBRANCH  12  21
BRANCH  13  23
ATOM     23  O   LIG    1       -3.890   2.367  -2.550  0.00  0.00    +0.000 OA
ATOM     24  H   LIG    1       -3.490   2.857  -3.316  0.00  0.00    +0.000 HD
ENDBRANCH  13  23
ENDBRANCH   1  14
BRANCH   4  25
ATOM     25  N   LIG    1        3.655  -0.122  -1.528  0.00  0.00    +0.000 N 
ATOM     26  H   LIG    1        4.002   0.680  -2.102  0.00  0.00    +0.000 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.594  -1.191  -1.193  0.00  0.00    +0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.850  -1.219   0.290  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.453  -2.323   1.064  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.673  -2.330   2.446  0.00  0.00    +0.000 A 
ATOM     31  I   LIG    1        4.053  -3.981   3.602  0.00  0.00    +0.000 I 
ATOM     32  C   LIG    1        5.298  -1.240   3.060  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.700  -0.142   2.295  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.477  -0.130   0.915  0.00  0.00    +0.000 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7