REMARK  Name = BDB015374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.119   1.736  -1.589  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.422   1.535  -0.304  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.253   2.525   0.515  0.00  0.00    -0.249 NA
ATOM      4  C   LIG    1        0.395   3.618  -0.248  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1        0.858   3.015  -1.578  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -1.049   0.357  -0.003  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.182   0.021   1.432  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.053  -1.232   1.637  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.446  -1.033   1.186  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -3.512  -0.139   0.013  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.211  -0.064  -0.820  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.126  -2.332   1.115  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -4.053  -3.054  -0.246  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.540  -3.424  -0.027  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -5.646  -2.182   0.892  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1        0.736   0.567  -2.635  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        1.344   1.257  -3.759  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.242  -0.471  -2.882  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        4.154  -1.357  -0.255  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        2.839  -1.833  -0.134  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.798  -1.246  -0.855  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.063  -0.160  -1.693  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        3.369   0.310  -1.848  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        4.406  -0.283  -1.125  0.00  0.00    +0.006 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.518  -3.444   0.118  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        5.302  -1.983   0.519  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        5.097  -1.856   2.030  0.00  0.00    +0.012 C 
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   4  28
ATOM     28  C   LIG    1       -0.633   4.702  -0.431  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -0.210   6.141  -0.583  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -0.896   5.690   0.677  0.00  0.00    +0.006 C 
ENDBRANCH   4  28
TORSDOF 6