REMARK  Name = BDB011088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.401  -0.110  -1.562  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.579  -0.202  -0.853  0.00  0.00    +0.114 A 
ATOM      3  C   LIG    1        2.440   0.656  -1.524  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1        3.701   0.915  -1.146  0.00  0.00    -0.202 NA
ATOM      5  C   LIG    1        4.059   0.261  -0.037  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        3.308  -0.603   0.680  0.00  0.00    -0.221 NA
ATOM      7  N   LIG    1        1.854   1.197  -2.627  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        2.047  -0.871   0.272  0.00  0.00    +0.101 A 
ATOM      9  C   LIG    1        0.635   0.709  -2.647  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        5.428   0.502   0.466  0.00  0.00    +0.287 A 
ATOM     11  O   LIG    1        6.186   1.362  -0.264  0.00  0.00    -0.385 OA
ATOM     12  C   LIG    1        7.369   1.404   0.404  0.00  0.00    +0.436 A 
ATOM     13  O   LIG    1        8.346   2.060   0.090  0.00  0.00    -0.221 OA
ATOM     14  N   LIG    1        7.234   0.573   1.480  0.00  0.00    -0.208 N 
ATOM     15  H   LIG    1        7.948   0.388   2.171  0.00  0.00    +0.195 HD
ATOM     16  N   LIG    1        6.003   0.001   1.521  0.00  0.00    -0.127 NA
ENDBRANCH   5  10
BRANCH   8  17
ATOM     17  C   LIG    1        1.311  -1.851   1.060  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        0.994  -3.114   0.537  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        0.289  -4.041   1.306  0.00  0.00    +0.042 A 
ATOM     20 CL   LIG    1       -0.119  -5.570   0.630  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -0.094  -3.737   2.610  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.240  -2.499   3.154  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.944  -1.567   2.387  0.00  0.00    +0.010 A 
ENDBRANCH   8  17
BRANCH   9  24
ATOM     24  C   LIG    1       -0.376   1.043  -3.788  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -1.212   2.291  -3.680  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -0.103   2.222  -4.688  0.00  0.00    +0.012 C 
ENDBRANCH   9  24
BRANCH   1  27
ATOM     27  C   LIG    1       -0.869  -0.748  -1.265  0.00  0.00    +0.127 C 
BRANCH  27  32
ATOM     28  C   LIG    1       -4.827   1.450   2.454  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -4.084   0.891   1.242  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1       -3.555  -0.518   1.534  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -2.767  -1.078   0.352  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -1.614  -0.148  -0.059  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -2.145   1.263  -0.349  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -2.940   1.825   0.830  0.00  0.00    +0.003 C 
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 5