REMARK  Name = BDB026894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282  -1.260  -1.518  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.264  -2.169  -2.252  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.291  -3.546  -1.980  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.176  -4.387  -2.658  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.036  -3.864  -3.623  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -4.007  -2.502  -3.916  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.124  -1.660  -3.240  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.196  -0.859  -2.452  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.051  -1.627  -3.108  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.084  -0.573  -1.793  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.124   0.732  -0.986  0.00  0.00    +0.052 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.059   1.427   0.535  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1        4.189   0.684   1.247  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        2.949   0.496   0.741  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        2.509   1.014  -0.470  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        3.416   1.781  -1.195  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.696   1.994  -0.685  0.00  0.00    +0.044 A 
BRANCH  12  18
ATOM     18  N   LIG    1        6.354   1.685   1.017  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1        7.017   1.438   0.288  0.00  0.00    +0.147 HD
BRANCH  18  21
ATOM     20  C   LIG    1        6.187   1.885   3.463  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        6.699   1.061   2.292  0.00  0.00    +0.099 C 
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.016  -0.026  -0.911  0.00  0.00    +0.186 C 
ATOM     23  O   LIG    1       -2.050   1.060  -1.497  0.00  0.00    -0.290 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.676  -0.182   0.398  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -3.286   0.856   1.185  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -3.787   0.269   2.348  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -4.446   0.998   3.346  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -4.598   2.373   3.153  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.112   2.992   2.006  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -3.505  -1.072   2.277  0.00  0.00    -0.360 N 
ATOM     31  H   LIG    1       -3.764  -1.747   2.984  0.00  0.00    +0.165 HD
ATOM     32  C   LIG    1       -3.456   2.248   1.018  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1       -2.834  -1.356   1.117  0.00  0.00    +0.095 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9