REMARK  Name = BDB000148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.957  -0.218   0.165  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.291  -0.160   0.739  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.393  -0.951   0.204  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -2.390  -1.031   1.362  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -2.157   0.281   2.108  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.653   0.484   1.991  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        1.194  -0.965  -0.792  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.032  -0.254  -1.017  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.875  -1.071  -1.743  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -3.125  -1.980  -1.377  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.853   0.931  -1.292  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.705  -0.547  -2.802  0.00  0.00    +0.178 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.029  -0.210  -2.224  0.00  0.00    +0.122 A 
ATOM     14  O   LIG    1       -5.913  -1.240  -2.073  0.00  0.00    -0.466 OA
ATOM     15  C   LIG    1       -7.040  -0.716  -1.526  0.00  0.00    +0.195 A 
ATOM     16  C   LIG    1       -6.890   0.635  -1.314  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -5.588   0.963  -1.762  0.00  0.00    +0.046 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1        2.048   0.731   0.713  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.346   0.132   0.397  0.00  0.00    -0.302 N 
ATOM     20  H   LIG    1        3.467  -0.105  -0.582  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        3.958  -0.714   1.300  0.00  0.00    +0.230 C 
ATOM     22  O   LIG    1        3.592  -0.827   2.469  0.00  0.00    -0.274 OA
BRANCH  21  23
ATOM     23  C   LIG    1        5.164  -1.491   0.727  0.00  0.00    +0.135 C 
ATOM     24  C   LIG    1        4.699  -2.589  -0.221  0.00  0.00    +0.033 C 
BRANCH  23  25
ATOM     25  N   LIG    1        5.944  -2.089   1.829  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1        5.301  -2.667   2.378  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        6.191  -1.337   2.476  0.00  0.00    +0.119 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  18  19
BRANCH  18  29
ATOM     28  C   LIG    1        2.822   3.138   0.839  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        1.896   2.151   0.120  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        2.140   2.218  -1.391  0.00  0.00    +0.009 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8