REMARK  Name = BDB002319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289  -0.367  -0.486  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.806   0.239  -1.063  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.984   0.541  -0.251  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        3.058   0.952  -1.263  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.634   0.241  -2.540  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.115   0.301  -2.482  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.267  -0.729   0.697  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.737   1.698   0.739  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.678   1.772   1.743  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        3.513   1.201   1.704  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.826   2.517   0.623  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.669   2.850   2.707  0.00  0.00    +0.159 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.580   2.531   3.869  0.00  0.00    +0.058 A 
ATOM     14  N   LIG    1        4.918   2.540   3.622  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1        5.738   2.217   4.647  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.294   1.862   5.913  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.923   1.837   6.141  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        3.051   2.170   5.107  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.576  -0.514  -1.337  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.236  -1.749  -0.922  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -2.633  -1.791   0.014  0.00  0.00    +0.150 HD
ATOM     22  C   LIG    1       -1.853  -2.973  -1.436  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -1.091  -3.085  -2.394  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.422  -4.178  -0.648  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -2.172  -5.505  -1.368  0.00  0.00    +0.034 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -3.845  -3.966  -0.264  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -4.140  -4.759   0.307  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.747  -3.856  -1.408  0.00  0.00    +0.101 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  20
BRANCH  19  29
ATOM     29  C   LIG    1       -2.542   0.695  -1.197  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -2.820   1.083   0.262  0.00  0.00    +0.010 C 
BRANCH  29  32
ATOM     31  C   LIG    1       -3.055   3.045  -2.088  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -2.048   1.904  -2.015  0.00  0.00    +0.002 C 
ENDBRANCH  29  32
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 9