REMARK  Name = BDB064750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.217   0.467  -0.853  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -2.248   0.883  -2.192  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1       -1.073   1.194  -2.876  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.156   1.096  -2.220  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        0.219   0.686  -0.883  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.973   0.393  -0.205  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.614  -0.816   0.755  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -3.471   0.177  -0.137  0.00  0.00    +0.016 C 
BRANCH   7  12
ATOM      9  C   LIG    1       -7.315  -1.200   1.311  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -6.027  -0.840   0.778  0.00  0.00    -0.315 N 
ATOM     11  H   LIG    1       -5.957  -0.645  -0.212  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1       -4.877  -1.097   1.479  0.00  0.00    +0.237 C 
ATOM     13  O   LIG    1       -4.841  -1.585   2.602  0.00  0.00    -0.271 OA
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  O   LIG    1       -3.453   0.983  -2.837  0.00  0.00    -0.506 OA
ATOM     15  H   LIG    1       -3.295   1.269  -3.751  0.00  0.00    +0.292 HD
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  C   LIG    1        1.490   0.614  -0.148  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        2.631   0.145  -0.678  0.00  0.00    +0.009 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.903   0.073   0.056  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        3.970  -0.332   1.397  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        5.206  -0.413   2.038  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        6.384  -0.106   1.368  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        6.316   0.279   0.035  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        5.092   0.365  -0.625  0.00  0.00    +0.053 A 
BRANCH  20  24
ATOM     24  O   LIG    1        5.305  -0.800   3.343  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        4.414  -0.992   3.680  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
BRANCH  22  26
ATOM     26  O   LIG    1        7.442   0.583  -0.674  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        8.211   0.482  -0.089  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
ENDBRANCH  17  18
ENDBRANCH   5  16
TORSDOF 7