REMARK  Name = BDB007519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.183   0.884  -0.701  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.749   1.367   0.192  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.521   1.294   1.176  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.145   1.086  -1.907  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.035   1.537  -1.154  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -2.631   0.350  -0.311  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1       -1.262   0.062  -0.096  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -0.864  -1.041   0.669  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.825  -1.881   1.210  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.178  -1.623   0.985  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.616  -0.508   0.249  0.00  0.00    +0.031 A 
BRANCH  11  12
ATOM     12  N   LIG    1       -4.969  -0.311  -0.051  0.00  0.00    -0.341 N 
ATOM     13  H   LIG    1       -5.188   0.646  -0.306  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -6.064  -0.965   0.677  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1       -6.212  -0.355   2.077  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -7.647  -0.483   2.555  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -8.573   0.217   1.724  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -8.185   0.354   0.358  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -7.361  -0.822  -0.138  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.765   2.345  -0.179  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.780   1.912  -1.264  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.216   2.081  -2.568  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        1.363   1.592  -2.575  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.294   0.466  -1.054  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.383   0.054  -1.966  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.668   0.716  -1.685  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.401   0.184  -0.470  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.160  -1.119   0.004  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        6.878  -1.602   1.107  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.844  -0.806   1.721  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.098   0.477   1.242  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.088  -1.971  -0.630  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.384   0.970   0.150  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.586  -1.404  -1.967  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8