REMARK  Name = BDB013104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.684   0.087  -0.267  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.247   0.572  -1.481  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -2.596   0.828  -1.489  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.865   1.340  -2.723  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.772   1.338  -3.453  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.423   0.604  -0.385  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.907   0.170   0.733  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.748   0.854  -2.667  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.549  -0.087   0.758  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.420  -0.839   0.289  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1        2.784  -0.106   1.240  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1        1.477   0.175   1.022  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        0.744  -0.253  -0.086  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.433  -1.004  -1.043  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.781  -1.309  -0.853  0.00  0.00    +0.033 A 
BRANCH  10  17
ATOM     16  N   LIG    1        5.698  -0.392   1.275  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        4.858  -1.213   0.513  0.00  0.00    +0.265 C 
ATOM     18  O   LIG    1        5.261  -2.266   0.010  0.00  0.00    -0.268 OA
ATOM     19  C   LIG    1        5.364   0.967   1.676  0.00  0.00    +0.132 C 
BRANCH  16  20
ATOM     20  C   LIG    1        7.054  -0.864   1.558  0.00  0.00    +0.123 C 
BRANCH  20  21
ATOM     21  C   LIG    1        8.053  -0.600   0.408  0.00  0.00    +0.102 C 
BRANCH  21  23
ATOM     22  C   LIG    1        9.274   1.335   1.244  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        8.392   0.826   0.192  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1        9.034   0.993  -1.114  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  N   LIG    1       -4.775   0.855  -0.454  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -5.134   0.864   0.501  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.620  -0.044  -1.236  0.00  0.00    +0.140 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.065   0.257  -0.946  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -7.775  -0.414   0.045  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -7.368  -1.535   0.927  0.00  0.00    +0.080 C 
ATOM     31  C   LIG    1       -8.535  -1.514   1.914  0.00  0.00    +0.234 C 
ATOM     32  O   LIG    1       -9.671  -0.878   1.287  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -9.108  -0.115   0.296  0.00  0.00    +0.124 A 
ATOM     34  C   LIG    1       -9.790   0.854  -0.409  0.00  0.00    +0.046 A 
ATOM     35  C   LIG    1       -9.092   1.558  -1.390  0.00  0.00    +0.004 A 
ATOM     36  C   LIG    1       -7.742   1.268  -1.652  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 8