REMARK  Name = BDB047062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.036   3.205   1.097  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.627   2.371   0.051  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.171   1.075  -0.099  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.937   0.012  -1.024  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.782  -1.035  -0.666  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -2.569  -0.625   0.417  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -3.633  -1.341   1.031  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -3.864  -1.133   2.221  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.831  -2.408  -1.254  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -2.136   0.645   0.812  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.560   1.481   1.864  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.995   2.756   1.994  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -4.521  -2.302   0.339  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.871  -3.494   0.984  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -5.734  -4.396   0.357  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -6.255  -4.096  -0.901  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -7.316  -5.208  -1.673  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.930  -2.897  -1.535  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.067  -1.991  -0.912  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -0.766   5.300   2.189  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -0.421   4.428   1.119  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        0.039   0.033  -2.167  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.434  -0.033  -1.586  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        1.888  -1.153  -0.878  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.187  -1.193  -0.364  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.064  -0.123  -0.551  0.00  0.00    +0.122 A 
ATOM     27  C   LIG    1        3.627   0.992  -1.262  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        2.326   1.032  -1.780  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  O   LIG    1        5.298  -0.299   0.009  0.00  0.00    -0.478 OA
BRANCH  29  30
ATOM     30  C   LIG    1        6.287   0.731  -0.149  0.00  0.00    +0.278 C 
ATOM     31  C   LIG    1        6.133   1.781   0.943  0.00  0.00    +0.064 C 
BRANCH  30  32
ATOM     32  C   LIG    1        7.657   0.064  -0.006  0.00  0.00    +0.346 C 
ATOM     33  O   LIG    1        8.723   0.663  -0.038  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1        7.586  -1.282   0.153  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1        6.641  -1.555   0.162  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8