REMARK  Name = BDB041088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.827   1.183  -0.670  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -2.674   0.608  -1.877  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -1.381   0.412  -2.206  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -0.325   0.767  -1.383  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1        0.858   0.455  -1.990  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1        0.549  -0.105  -3.191  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -0.553   1.361  -0.144  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -0.814  -0.153  -3.371  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.850   1.575   0.185  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.085   0.431   0.204  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -4.206   1.450  -0.247  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -4.680   2.780  -0.308  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.990   3.101   0.051  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.853   2.100   0.477  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.405   0.781   0.558  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.415  -1.936  -0.618  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -4.633  -1.023   0.330  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -4.734  -1.522   1.775  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.385   1.753   0.804  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -0.104   2.344   1.474  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.657   2.294   0.354  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.766   1.270   0.441  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.700   1.148  -0.595  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.754   0.228  -0.510  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.915  -0.595   0.617  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.986  -0.447   1.661  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        2.931   0.469   1.577  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.015  -1.571   0.722  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1        6.563  -1.715   1.957  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        7.585  -2.587   2.097  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.098  -3.348   1.062  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.524  -3.208  -0.196  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.472  -2.311  -0.370  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6