REMARK  Name = BDB014778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.321   2.896   3.638  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.849   2.640   3.443  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.486   1.642   2.548  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.039   1.361   2.457  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.730   0.553   1.249  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.488   0.161   0.680  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.692  -0.588  -0.410  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -3.028  -0.652  -0.558  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.693  -0.001   0.433  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.153   0.152   0.623  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.415   0.589   2.081  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.018   3.309   4.059  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -0.302   0.528   1.227  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.333   1.133   2.038  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.033   0.264   0.845  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.391  -0.511  -0.261  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        2.734  -0.742  -0.585  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        3.766  -0.201   0.191  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        3.417   0.569   1.305  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.073   0.797   1.624  0.00  0.00    +0.023 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.227  -0.444  -0.139  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        5.589  -0.041  -1.576  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1        7.098  -0.133  -1.825  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        7.791  -1.214  -0.993  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        6.852  -2.366  -0.661  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        5.638  -1.902   0.151  0.00  0.00    +0.008 C 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.588  -1.382  -1.688  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.950  -0.469  -2.822  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.004  -0.997  -4.234  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.910  -0.047  -3.829  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5