REMARK  Name = BDB024611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.875  -1.040  -0.347  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.064  -0.327   0.556  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.660   0.265   1.774  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.076  -0.822   2.782  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.745   1.246   2.517  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.974   2.111   1.544  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.134   1.211   0.677  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1       -0.835   1.576   0.259  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.055   0.667  -0.493  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -0.604  -0.539  -0.904  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -1.921  -0.858  -0.564  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.704   0.001   0.219  0.00  0.00    +0.045 A 
ATOM     13  O   LIG    1       -4.519  -1.531  -1.412  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   9  14
ATOM     14  N   LIG    1        1.256   1.089  -0.798  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        1.447   2.028  -0.459  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.245   0.403  -1.472  0.00  0.00    +0.218 C 
ATOM     17  O   LIG    1        2.152  -0.731  -1.929  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.497   1.252  -1.638  0.00  0.00    +0.115 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.766   0.471  -2.009  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.343  -0.249  -0.794  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        6.335   0.383  -0.023  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.857  -0.233   1.116  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.393  -1.486   1.505  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.407  -2.123   0.756  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.884  -1.508  -0.383  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1        4.612  -0.384  -3.259  0.00  0.00    +0.313 C 
ATOM     27  O   LIG    1        5.087  -1.486  -3.481  0.00  0.00    -0.250 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.940   0.256  -4.244  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        3.884  -0.425  -4.948  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   9  14
BRANCH   8  30
ATOM     30  N   LIG    1       -0.181   2.741   0.765  0.00  0.00    -0.356 N 
ATOM     31  H   LIG    1        0.251   2.507   1.660  0.00  0.00    +0.142 HD
ATOM     32  H   LIG    1       -0.841   3.501   0.911  0.00  0.00    +0.142 HD
ENDBRANCH   8  30
BRANCH   1  34
ATOM     33  C   LIG    1       -7.051  -1.794  -0.830  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1       -6.179  -1.101   0.064  0.00  0.00    -0.453 OA
ENDBRANCH   1  34
TORSDOF 8