REMARK  Name = BDB003970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.295   0.577  -0.298  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.873  -0.532  -0.929  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.255  -0.471  -0.728  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.089  -1.459  -1.210  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.503  -2.512  -1.922  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.111  -2.563  -2.129  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -2.529   0.685   0.027  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -0.274  -1.565  -1.623  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -1.305   1.314   0.345  0.00  0.00    +0.331 A 
ATOM     10  O   LIG    1       -1.152   2.301   1.048  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -3.812   1.137   0.533  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -4.381   0.190   1.606  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -3.935  -0.924   1.868  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.405   0.705   2.366  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.446   0.184   3.237  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.694   0.692   1.917  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.577   0.251   2.654  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.010   1.109   0.500  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -6.072   2.139  -0.106  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -4.775   1.504  -0.597  0.00  0.00    +0.035 C 
ENDBRANCH   7  11
BRANCH   1  21
ATOM     21  C   LIG    1        1.118   0.820  -0.160  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.707   0.107   1.062  0.00  0.00    +0.129 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.032  -0.323   0.378  0.00  0.00    +0.401 C 
ATOM     24  N   LIG    1        3.135   0.302   1.189  0.00  0.00    -0.279 N 
ATOM     25  H   LIG    1        3.511   0.936   1.880  0.00  0.00    +0.152 HD
ATOM     26  O   LIG    1        3.735  -1.092  -0.522  0.00  0.00    -0.226 OA
BRANCH  23  27
ATOM     27  O   LIG    1        5.278   0.061   0.731  0.00  0.00    -0.445 OA
BRANCH  27  29
ATOM     28  C   LIG    1        6.428  -0.029  -1.446  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.438  -0.453   0.027  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        7.640   0.208   0.720  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.558  -1.973   0.185  0.00  0.00    +0.055 C 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6