REMARK  Name = BDB009615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.209  -0.941   0.086  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.577   0.487   0.254  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.639   1.453   0.112  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.972   0.900   0.646  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.906  -0.465   1.343  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        1.349  -0.343   2.778  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.000  -1.434   0.577  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.317  -2.622   0.474  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.669   0.949  -0.722  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.837   1.557  -0.232  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.829   2.000  -1.110  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.661   1.840  -2.484  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.885   2.384  -3.563  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.509   1.243  -2.989  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.516   0.802  -2.113  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        0.343   2.850   0.657  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.213   3.928  -0.237  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.079   5.209   0.234  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -0.240   6.511  -0.879  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -0.245   5.440   1.596  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.119   4.381   2.493  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.171   3.096   2.027  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.287  -1.940  -0.197  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.020  -3.161  -2.329  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -0.884  -2.891  -1.349  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -1.703  -2.667   1.105  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -2.946  -3.531   0.965  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        3.341  -1.056   1.493  0.00  0.00    +0.092 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.065  -1.287   0.196  0.00  0.00    +0.132 A 
ATOM     30  N   LIG    1        3.732  -2.308  -0.610  0.00  0.00    -0.294 N 
ATOM     31  H   LIG    1        2.950  -2.943  -0.503  0.00  0.00    +0.172 HD
ATOM     32  C   LIG    1        4.526  -2.199  -1.710  0.00  0.00    +0.342 A 
ATOM     33  O   LIG    1        4.496  -2.881  -2.717  0.00  0.00    -0.245 OA
ATOM     34  N   LIG    1        5.356  -1.116  -1.451  0.00  0.00    -0.227 N 
ATOM     35  H   LIG    1        6.051  -0.734  -2.077  0.00  0.00    +0.194 HD
ATOM     36  N   LIG    1        5.034  -0.539  -0.249  0.00  0.00    -0.157 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7