REMARK  Name = BDB049645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.494   0.963  -0.511  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.465  -0.034  -0.340  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.757   0.451  -0.287  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.844   1.422  -0.028  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.169  -1.218  -0.220  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.955  -0.293  -0.264  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.023  -1.659  -0.547  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        5.258  -2.290  -0.505  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        5.566  -3.724  -0.801  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1        6.966  -3.861  -0.185  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1        7.623  -2.476  -0.273  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        6.425  -1.582  -0.206  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1        6.383  -0.226   0.055  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.140   0.416   0.028  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -3.302  -1.046  -0.078  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -2.839  -0.208   1.035  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -1.327   0.018   0.967  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.943   0.637  -0.382  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -1.470  -0.224  -1.532  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.975  -0.454  -1.382  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.715  -1.481   0.012  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -4.844  -2.547   1.108  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.734  -0.328   0.180  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.855  -0.974   1.448  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -7.204  -0.761   0.089  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        0.806   2.267  -1.102  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.940   3.399  -0.105  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        1.002   4.716  -0.593  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.151   5.796   0.279  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.247   5.577   1.650  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.194   4.278   2.150  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.045   3.196   1.279  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7