REMARK  Name = BDB001528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506  -2.202   1.140  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -1.021  -1.093   0.483  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1       -0.221  -0.101   0.047  0.00  0.00    -0.199 NA
ATOM      4  C   LIG    1        1.103  -0.197   0.238  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        1.678  -1.236   0.850  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1        0.866  -2.211   1.288  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.494  -4.450   0.637  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -1.333  -3.339   1.665  0.00  0.00    +0.037 C 
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  N   LIG    1       -2.420  -1.009   0.272  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1       -2.744  -1.858  -0.178  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -3.185   0.111  -0.123  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.418  -0.096  -0.762  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.236   0.981  -1.117  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -4.838   2.274  -0.812  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1       -3.640   2.508  -0.150  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -2.826   1.426   0.202  0.00  0.00    +0.027 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -5.664   3.297  -1.173  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -5.255   4.134  -0.899  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   2   9
BRANCH   4  19
ATOM     19  N   LIG    1        1.840   0.872  -0.261  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        1.205   1.519  -0.706  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.200   1.192  -0.293  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.595   2.381  -0.929  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.939   2.761  -0.995  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        5.907   1.952  -0.421  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1        5.551   0.771   0.216  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        4.202   0.398   0.277  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.207   2.353  -0.504  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1        7.762   1.690  -0.062  0.00  0.00    +0.292 HD
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 7