REMARK  Name = BDB059057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.280   0.539   1.195  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -6.079  -0.680  -0.996  0.00  0.00    +0.175 C 
ATOM      3  N   LIG    1       -4.823   0.002  -1.160  0.00  0.00    -0.247 N 
ATOM      4  C   LIG    1       -3.701  -0.067  -0.380  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1       -2.823   0.792  -1.026  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -1.535   0.981  -0.505  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.136   0.291   0.665  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1       -2.065  -0.555   1.291  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -3.429   1.331  -2.128  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1       -3.360  -0.758   0.783  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -4.660   0.840  -2.202  0.00  0.00    -0.065 NA
ENDBRANCH   1   7
BRANCH   1  12
ATOM     12  C   LIG    1        1.383   0.216   0.186  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1        2.485   1.079   0.058  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.542   0.797  -0.827  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        3.491  -0.387  -1.576  0.00  0.00    +0.046 A 
ATOM     16 CL   LIG    1        4.772  -0.843  -2.641  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        2.401  -1.252  -1.459  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.355  -0.955  -0.586  0.00  0.00    +0.006 A 
BRANCH  14  19
ATOM     19  C   LIG    1        4.705   1.747  -0.895  0.00  0.00    +0.192 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.715   1.300  -0.003  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1        6.104   0.502  -0.405  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  12
BRANCH   1  22
ATOM     22  C   LIG    1        0.648   0.006   2.593  0.00  0.00    +0.133 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.928  -1.476   2.679  0.00  0.00    +0.306 C 
ATOM     24  O   LIG    1        0.092  -2.311   2.994  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        2.206  -1.817   2.409  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        2.775  -1.078   2.117  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7