REMARK  Name = BDB047134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.767   0.396   1.212  0.00  0.00    -0.276 N 
ATOM      2  C   LIG    1        0.569   0.586   1.547  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1        0.935   1.199   2.548  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.686   0.186   2.834  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -1.771   1.121   2.032  0.00  0.00    +0.105 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.492   2.182   1.205  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -3.798   2.019   0.717  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.401   3.020  -0.052  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.706   4.191  -0.340  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -4.451   5.416  -1.290  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -2.411   4.374   0.133  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.808   3.374   0.900  0.00  0.00    +0.007 A 
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  13
ATOM     13  C   LIG    1        1.600  -0.000   0.669  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1        2.435  -0.929   1.155  0.00  0.00    +0.013 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.467  -1.589   0.344  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        4.193  -0.914  -0.646  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.172  -1.580  -1.388  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.442  -2.924  -1.141  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.738  -3.602  -0.148  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.759  -2.937   0.594  0.00  0.00    +0.008 A 
ENDBRANCH  14  15
ENDBRANCH   2  13
BRANCH   1  21
ATOM     21  C   LIG    1       -1.272  -0.583   0.196  0.00  0.00    +0.193 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.726  -0.389  -1.221  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        0.043  -1.368  -1.878  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.542  -1.149  -3.166  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.272   0.049  -3.820  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        0.892   0.321  -5.401  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.495   1.028  -3.198  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.992   0.809  -1.910  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
BRANCH  21  29
ATOM     29  C   LIG    1       -1.269  -2.055   0.708  0.00  0.00    +0.236 C 
ATOM     30  O   LIG    1       -1.788  -2.986   0.093  0.00  0.00    -0.274 OA
ATOM     31  N   LIG    1       -0.634  -2.321   1.889  0.00  0.00    -0.328 N 
ATOM     32  H   LIG    1       -0.692  -3.265   2.245  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -0.350  -1.584   2.520  0.00  0.00    +0.145 HD
ENDBRANCH  21  29
ENDBRANCH   1  21
TORSDOF 7