REMARK  Name = BDB002339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.364  -0.462   0.288  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.600  -1.457  -0.276  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.603  -1.129  -1.031  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -0.850  -2.368  -1.894  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.284  -3.501  -1.042  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.932  -2.868  -0.383  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        1.076   0.731   0.138  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.806  -0.873  -0.088  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1       -2.838  -0.203  -0.734  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -2.628   0.124  -1.664  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.818  -1.291   1.068  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.121   0.143  -0.227  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -5.024   0.893  -1.053  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -6.306   1.219  -0.532  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -7.227   1.950  -1.300  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -6.913   2.377  -2.587  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.671   2.077  -3.123  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -6.666   0.812   0.758  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -5.783   0.087   1.547  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.743   1.349  -2.370  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -4.522  -0.244   1.058  0.00  0.00    +0.024 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1        2.561  -0.883   1.171  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.500   0.295   0.212  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        3.514   0.228   1.176  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        3.107   1.111   1.458  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        4.767  -0.662  -0.517  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        5.319   1.618   0.179  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        4.468   2.882   0.294  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        5.518   1.904  -2.264  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        6.212   1.637  -1.009  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        6.618   0.698  -1.077  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        2.091  -1.261   2.596  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        1.502  -0.086   3.384  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        3.236  -1.896   3.391  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7