REMARK  Name = BDB008613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.756  -0.256   1.141  0.00  0.00    +0.124 C 
ATOM      2  C   LIG    1        0.897  -1.653   1.752  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   1   9
ATOM      3  N   LIG    1       -2.522  -0.276  -0.301  0.00  0.00    -0.263 N 
ATOM      4  C   LIG    1       -2.378   1.088  -0.324  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -1.120   1.328   0.220  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.667   2.656   0.341  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.494   3.699  -0.090  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.751   3.433  -0.632  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.595   0.039   0.529  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -3.220   2.122  -0.759  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1       -1.470  -0.933   0.224  0.00  0.00    -0.173 NA
BRANCH   3  12
ATOM     12  C   LIG    1       -3.669  -1.040  -0.759  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.684  -1.259   0.359  0.00  0.00    +0.051 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.852  -2.115  -0.107  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.631  -2.196  -1.649  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1       -6.510  -1.453  -1.185  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  N   LIG    1        1.871   0.041   0.210  0.00  0.00    -0.288 N 
ATOM     18  C   LIG    1        3.011   0.644   0.756  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        3.123   0.841   1.971  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.149   1.053  -0.216  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        4.981  -0.036  -0.635  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1        5.821  -0.506   0.427  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        6.716   0.616   0.970  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        5.937   1.769   1.452  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        5.352   1.455   2.236  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        5.013   2.194   0.379  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1        1.709  -0.194  -1.210  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        2.546  -1.224  -1.930  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        1.072  -1.424  -1.809  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8