REMARK  Name = BDB052301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092   1.179  -0.808  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.163   1.810   0.029  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.172   1.395   0.055  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.603   0.340  -0.762  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        0.682  -0.290  -1.608  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.653   0.130  -1.628  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.969  -0.065  -0.717  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        3.840   0.549   0.127  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        5.041  -0.018  -0.077  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        4.886  -1.059  -1.062  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        5.863  -1.917  -1.554  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.115  -1.661  -0.962  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.335  -0.645   0.019  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.309   0.212   0.498  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        3.575  -1.066  -1.447  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.558   1.266   1.493  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.015   2.360   1.462  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        7.459   0.962   2.480  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        7.704   0.006   2.696  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        7.519   1.639   3.232  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.539   1.630  -0.836  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.449   1.001   0.130  0.00  0.00    -0.300 NA
ATOM     23  C   LIG    1       -3.139   1.338   1.514  0.00  0.00    +0.105 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.614  -0.446  -0.081  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.759  -1.130   0.722  0.00  0.00    +0.099 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -7.023  -1.171   1.551  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -6.077  -0.465   0.689  0.00  0.00    -0.307 NA
ATOM     28  C   LIG    1       -6.607  -0.362  -0.669  0.00  0.00    +0.104 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7