REMARK  Name = BDB002314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.899  -0.160  -0.089  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.468  -0.760  -1.285  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.207  -0.402  -1.960  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -0.584   0.863  -2.723  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -2.052   0.604  -3.121  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -2.462  -0.667  -2.353  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.094   0.108   0.099  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.193  -0.450  -1.332  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.418  -1.579  -0.576  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        0.706  -2.297  -0.526  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.081   0.344  -1.621  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.712  -1.851   0.024  0.00  0.00    +0.159 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.608  -2.799  -0.748  0.00  0.00    +0.058 A 
ATOM     14  N   LIG    1        4.674  -3.287  -0.054  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1        5.509  -4.133  -0.696  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.319  -4.559  -2.000  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.222  -4.065  -2.700  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        3.370  -3.155  -2.078  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.905   0.049   1.076  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.427   1.155   1.881  0.00  0.00    -0.303 N 
ATOM     21  H   LIG    1       -2.389   1.026   2.183  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -1.103   2.457   1.543  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -0.214   2.735   0.740  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -1.988   3.522   2.223  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -3.214   3.764   1.347  0.00  0.00    +0.034 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -1.255   4.797   2.382  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -0.779   4.993   1.494  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -0.244   4.718   3.432  0.00  0.00    +0.101 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  20
BRANCH  19  30
ATOM     29  C   LIG    1       -2.023  -1.654   2.668  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -0.762  -1.231   1.911  0.00  0.00    +0.028 C 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 8