REMARK  Name = BDB050270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.129  -1.875  -0.216  0.00  0.00    +0.230 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.790  -0.620  -0.054  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.873  -0.213  -0.842  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1       -4.079   0.862  -0.428  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.717   0.676  -0.177  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.128  -0.580  -0.333  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.915  -1.654  -0.744  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.279  -1.471  -0.997  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -6.348  -0.023  -1.096  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.191   0.037   0.186  0.00  0.00    +0.230 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -7.195  -1.319   0.895  0.00  0.00    +0.334 C 
ATOM     12  O   LIG    1       -6.902  -1.514   2.065  0.00  0.00    -0.248 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -7.627  -2.344   0.131  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1       -7.627  -3.110   0.742  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1       -8.510   0.456  -0.185  0.00  0.00    -0.365 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -9.032   2.357   1.231  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -9.310   0.898   0.911  0.00  0.00    +0.157 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.349  -1.702   0.133  0.00  0.00    +0.056 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.041  -0.710  -0.812  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.501  -0.657  -0.615  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        4.131   0.142  -1.679  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1        5.665   0.063  -1.586  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1        6.168   0.319  -0.186  0.00  0.00    -0.042 C 
ATOM     24  C   LIG    1        5.315   0.236   0.852  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1        3.858  -0.113   0.706  0.00  0.00    +0.112 C 
BRANCH  23  26
ATOM     26  C   LIG    1        7.596   0.645   0.002  0.00  0.00    -0.021 A 
ATOM     27  C   LIG    1        7.992   1.680   0.863  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        9.346   1.998   1.030  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        9.739   3.288   2.111  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       10.322   1.284   0.331  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       12.009   1.619   0.486  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        9.939   0.257  -0.534  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        8.586  -0.058  -0.698  0.00  0.00    +0.010 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12