REMARK  Name = BDB014505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765   1.249  -0.671  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.279   0.728  -1.860  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.931   0.271  -2.486  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.028   1.576   0.255  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.292   1.396  -0.644  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.838   1.687   0.638  0.00  0.00    -0.482 OA
BRANCH   6  14
ATOM      7  C   LIG    1        7.468  -0.973  -0.303  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        7.508  -0.378   1.030  0.00  0.00    -0.301 NA
ATOM      9  C   LIG    1        6.672  -1.118   1.990  0.00  0.00    +0.119 C 
ATOM     10  C   LIG    1        5.185  -0.845   1.892  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1        4.280  -1.746   2.477  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.908  -1.491   2.453  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.425  -0.338   1.840  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.315   0.552   1.240  0.00  0.00    +0.125 A 
ATOM     15  C   LIG    1        4.699   0.331   1.289  0.00  0.00    -0.000 A 
ATOM     16  C   LIG    1        5.660   1.304   0.650  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1        7.124   1.040   1.030  0.00  0.00    +0.089 C 
ENDBRANCH   6  14
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.132   0.373  -1.998  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.035   1.608  -2.154  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.595   2.360  -3.299  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.664   2.580  -3.116  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.514   1.223  -2.367  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.096   0.349  -1.333  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.438  -0.102  -1.760  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.183  -0.892  -0.705  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.836  -0.787   0.653  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.561  -1.502   1.615  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.642  -2.296   1.236  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.002  -2.386  -0.106  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.645   0.042   1.062  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.279  -1.686  -1.072  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.205   1.028  -0.029  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8