REMARK  Name = BDB002383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.249  -0.275  -0.688  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.484  -0.453  -1.841  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.937  -0.578  -1.763  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.370  -0.984  -3.174  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.134  -1.665  -3.743  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.014  -0.865  -3.143  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.305  -0.270   0.418  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.600   0.758  -1.379  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.821   0.613  -0.748  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        4.044  -0.293  -0.355  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.120   1.854  -1.664  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.507   1.753  -0.177  0.00  0.00    +0.141 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.326   1.814   1.313  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        5.423   1.815   2.170  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1        5.338   1.872   3.518  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.096   1.940   4.045  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.939   1.956   3.285  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.059   1.896   1.900  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.770  -0.009  -0.816  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.778  -1.987   0.283  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.414  -0.656   0.323  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.208  -0.308   1.256  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.785  -2.646  -0.753  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -3.087  -2.585   1.677  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -3.886  -3.882   1.575  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.038  -1.185   2.229  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -3.679  -1.577   2.594  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -3.703  -1.975   3.533  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -2.119   1.498  -0.860  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -1.510   2.314   0.285  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -1.743   2.131  -2.201  0.00  0.00    +0.009 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8