REMARK  Name = BDB016699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102   1.439   1.552  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -1.072   0.407   1.346  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.262   0.936   1.832  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.478   0.243   1.810  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.511  -1.053   1.262  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.307  -1.609   0.802  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.941   2.180   2.293  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.561   2.857   2.723  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.093  -0.904   0.836  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.648   2.505   2.156  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.806  -1.832   1.216  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -5.993  -1.378   0.391  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.054  -0.142  -0.463  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -7.349   0.390  -0.352  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.763   1.531  -1.008  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.829   2.172  -1.821  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.527   1.658  -1.960  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -8.114  -0.417   0.494  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -9.082  -0.268   0.729  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -5.136   0.496  -1.284  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.387  -1.495   0.966  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -7.772  -2.383   1.707  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.214  -2.590  -0.031  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        1.861   0.765   0.192  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.292   1.417   1.220  0.00  0.00    +0.031 C 
BRANCH  24  32
ATOM     26  C   LIG    1        8.530  -0.926   0.222  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        8.193  -0.472  -1.125  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1        7.520   0.838  -1.108  0.00  0.00    +0.119 C 
ATOM     29  C   LIG    1        6.053   0.803  -0.733  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        5.300  -0.377  -0.857  0.00  0.00    -0.041 A 
ATOM     31  C   LIG    1        3.933  -0.370  -0.536  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        3.301   0.801  -0.101  0.00  0.00    -0.025 A 
ATOM     33  C   LIG    1        4.050   1.980  -0.013  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        5.968  -1.664  -1.271  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        5.413   1.981  -0.324  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1        7.371  -1.444  -1.859  0.00  0.00    +0.089 C 
ENDBRANCH  24  32
ENDBRANCH   1  25
TORSDOF 3