REMARK  Name = BDB002305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.633   0.542  -0.258  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.030  -0.593  -0.683  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.419  -0.825  -0.306  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.627  -2.315  -0.572  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.699  -2.587  -1.754  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.501  -1.689  -1.478  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.076   1.341   0.498  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.381   0.019  -1.173  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.666   0.197  -0.733  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        4.200   0.818  -1.330  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.071   0.468  -2.279  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.122   0.028   0.628  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.604   0.259   0.732  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        6.105   1.488   1.182  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.481   1.705   1.258  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.369   0.701   0.877  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.882  -0.521   0.416  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.506  -0.741   0.340  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -2.108   0.699  -0.697  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.040  -0.836  -0.335  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.913  -0.195   0.133  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.846  -0.120   1.145  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -4.378  -0.829  -1.514  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.777  -1.632   0.766  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -6.151  -2.111   0.306  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.678   0.286   2.023  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -4.790  -0.874   2.046  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -5.112  -1.503   2.784  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -2.665   2.144  -0.667  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -1.913   3.048  -1.649  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -2.711   2.795   0.719  0.00  0.00    +0.009 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8