REMARK  Name = BDB003599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.748  -0.408   0.140  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -0.550  -0.533  -0.584  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -1.232   0.694  -0.011  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -2.743   0.545   0.162  0.00  0.00    +0.160 C 
ATOM      5  N   LIG    1       -3.339   1.201  -0.999  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.676   1.300  -1.291  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -5.101   1.842  -2.309  0.00  0.00    -0.271 OA
ATOM      8  C   LIG    1       -2.326   1.910  -1.787  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -1.108   1.965  -0.863  0.00  0.00    +0.084 C 
ATOM     10  O   LIG    1       -0.598   0.898   1.257  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        0.712   0.374   1.174  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.325  -1.633   0.102  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.151  -0.950   0.445  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        1.962  -1.152  -0.272  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        1.945  -2.046  -1.343  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.111  -2.727  -1.692  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.294  -2.522  -0.974  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.725  -1.933   0.754  0.00  0.00    +0.243 C 
ATOM     19  N   LIG    1        5.474  -1.364   0.879  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        5.335  -0.693   1.619  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        7.040  -2.800  -0.055  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.919  -2.059   1.813  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        7.748  -1.402   1.728  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.489  -0.169   2.538  0.00  0.00    +0.048 C 
ENDBRANCH  18  23
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   8  25
ATOM     25  C   LIG    1       -2.002   1.232  -3.139  0.00  0.00    +0.231 C 
ATOM     26  O   LIG    1       -0.866   1.124  -3.595  0.00  0.00    -0.274 OA
ATOM     27  N   LIG    1       -3.073   0.845  -3.891  0.00  0.00    -0.328 N 
ATOM     28  H   LIG    1       -3.996   1.223  -3.672  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.896   0.564  -4.845  0.00  0.00    +0.145 HD
ENDBRANCH   8  25
BRANCH   6  30
ATOM     30  C   LIG    1       -5.625   0.643  -0.367  0.00  0.00    +0.063 C 
ATOM     31  C   LIG    1       -5.882   1.167   0.842  0.00  0.00    -0.022 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -6.867   0.580   1.809  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -8.004   1.547   2.099  0.00  0.00    +0.008 C 
ENDBRANCH  31  32
ENDBRANCH   6  30
TORSDOF 6