REMARK  Name = BDB051698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.959   1.752   0.649  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -5.056   0.385   0.194  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -4.072  -0.383  -0.354  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.681  -0.080  -0.628  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.975  -0.992  -1.398  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.641  -2.195  -2.022  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.878  -2.720  -1.247  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.666  -0.649  -1.614  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -0.100   0.461  -1.100  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.873   1.274  -0.366  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -2.163   1.038  -0.099  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -4.657  -1.598  -0.649  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -6.005  -1.487  -0.232  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -6.244  -0.259   0.281  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -7.057  -2.512  -0.301  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.888  -3.645  -0.739  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -8.270  -2.099   0.175  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -8.345  -1.158   0.544  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -9.050  -2.736   0.190  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -0.366   2.429   0.187  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -1.003   2.712   0.923  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.054   2.593   0.481  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        1.644   1.469   1.346  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        2.759   0.704   0.637  0.00  0.00    +0.110 C 
ATOM     25  N   LIG    1        3.790   1.600   0.104  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1        5.163   1.371   0.182  0.00  0.00    +0.247 C 
ATOM     27  O   LIG    1        6.002   2.241  -0.040  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1        3.357   2.884  -0.438  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1        1.873   2.906  -0.774  0.00  0.00    +0.041 C 
BRANCH  26  30
ATOM     30  C   LIG    1        5.650   0.020   0.542  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        5.248  -1.104  -0.189  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        5.739  -2.364   0.155  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.640  -2.497   1.214  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.060  -1.371   1.925  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.572  -0.109   1.585  0.00  0.00    +0.013 A 
ENDBRANCH  26  30
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4