REMARK  Name = BDB013307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.741   0.994  -0.469  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.599  -0.415  -1.031  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        2.562  -1.024  -1.493  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.313  -0.957  -0.947  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.758  -0.183  -0.281  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.768   1.321  -0.722  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.636   1.859  -1.067  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.161  -0.767  -0.472  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -2.712  -0.946  -1.754  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.004  -1.453  -1.910  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.759  -1.780  -0.786  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.352  -2.401  -0.978  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.234  -1.604   0.491  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.941  -1.098   0.648  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.476   2.203   0.305  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -0.920   2.474   1.565  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.607   3.270   2.485  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.908   3.587   4.024  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.853   3.804   2.169  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.418   3.540   0.923  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.736   2.745  -0.001  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.124   1.573  -0.794  0.00  0.00    +0.133 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.195   0.936   0.062  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        4.008   0.463   1.176  0.00  0.00    -0.251 OA
BRANCH  23  26
ATOM     25  C   LIG    1        6.476   0.435   0.170  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.402   1.027  -0.560  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        0.230  -2.420  -1.034  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.346  -3.051   0.325  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        1.680  -3.178   1.018  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        0.997  -4.404   0.478  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7