REMARK  Name = BDB039331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.085  -1.576   0.225  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.009  -0.550  -0.073  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.366  -0.792   0.081  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.529   0.102  -0.185  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.664  -0.690   0.285  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.278  -1.993   0.581  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.983  -2.951   0.832  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.813  -2.032   0.521  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.955  -3.067   0.827  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.585  -2.825   0.681  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -4.120  -2.904   3.012  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1       -4.403  -2.149   1.815  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1       -3.446  -1.707   0.936  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1       -4.093  -1.016  -0.083  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -3.305  -0.469  -1.115  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1       -1.915  -0.662  -0.997  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -1.374  -1.368   0.083  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -5.485  -1.053   0.217  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1       -2.123  -1.919   1.066  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1       -5.647  -1.760   1.391  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.874   0.290  -2.291  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.313   1.641  -1.938  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.009   2.298  -3.045  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.060   3.750  -2.600  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -3.860   3.924  -1.676  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -3.217   2.546  -1.591  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1        6.059  -0.321   0.015  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        6.208   1.162  -0.363  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1        5.852   1.609  -1.454  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1        6.613   2.019   0.632  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        6.619   3.001   0.393  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        6.750   1.738   1.968  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1        6.863   2.642   2.791  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1        6.685   0.285   2.366  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1        7.005  -0.619   1.185  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4