REMARK  Name = BDB013302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.316   0.962   0.771  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -1.298  -0.117   1.054  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -2.446  -0.155  -0.018  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -3.107   1.234  -0.184  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -2.327   2.376   0.472  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.816   2.205   0.377  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1       -0.107   3.146   0.013  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.803  -1.508   1.450  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.022  -1.959   2.769  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.611  -3.231   3.181  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.017  -4.079   2.277  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.525  -5.643   2.780  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.232  -3.667   0.968  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.178  -2.393   0.559  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.081  -0.725  -1.387  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.626  -1.960  -1.785  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.309  -2.512  -3.027  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.973  -4.034  -3.479  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.456  -1.844  -3.899  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.919  -0.614  -3.527  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.229  -0.058  -2.283  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.161   0.877   1.009  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.543   0.240   2.362  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        2.712   0.934   3.057  0.00  0.00    +0.006 C 
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        1.904   0.319  -0.238  0.00  0.00    +0.103 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.368   0.354  -0.142  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1        3.675  -0.292   0.585  0.00  0.00    +0.122 HD
BRANCH  26  29
ATOM     28  C   LIG    1        5.502  -0.016  -1.267  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        3.988  -0.028  -1.411  0.00  0.00    +0.077 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  C   LIG    1       -2.766   3.766  -0.011  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.642   3.975  -1.502  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -3.603   3.973  -2.258  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -1.380   4.159  -1.940  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -0.693   4.080  -1.231  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 10