REMARK  Name = BDB023047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.901  -0.324   1.429  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        1.308  -1.764   1.123  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        0.184  -2.278   0.245  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -1.033  -1.547   0.832  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.554  -0.334   1.474  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -2.064  -1.180  -0.141  0.00  0.00    -0.305 N 
ATOM      7  C   LIG    1       -2.906  -0.106  -0.065  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -3.768  -0.095  -1.130  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -4.739   0.975  -1.233  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -4.756   1.951  -0.238  0.00  0.00    -0.215 NA
ATOM     11  C   LIG    1       -3.894   1.836   0.727  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -5.567   1.017  -2.230  0.00  0.00    -0.066 NA
ATOM     13  C   LIG    1       -3.456  -1.231  -1.908  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -2.950   0.848   0.881  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1       -2.300   0.864   1.665  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -2.416  -1.890  -1.273  0.00  0.00    +0.091 A 
BRANCH  12  17
ATOM     17  O   LIG    1       -6.433   2.137  -2.149  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1       -6.166   2.593  -1.323  0.00  0.00    +0.328 HD
ENDBRANCH  12  17
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        0.904   2.144   0.784  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        1.379   0.734   0.385  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.902   0.747   0.228  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        3.508   0.623  -1.036  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.899   0.635  -1.176  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.706   0.777  -0.053  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        7.418   0.791  -0.224  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        5.134   0.910   1.208  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.743   0.898   1.347  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     28  O   LIG    1        0.770   0.425  -0.880  0.00  0.00    -0.382 OA
ATOM     29  H   LIG    1       -0.140   0.778  -0.865  0.00  0.00    +0.211 HD
ENDBRANCH  20  28
ENDBRANCH   1  20
BRANCH   2  30
ATOM     30  O   LIG    1        1.315  -2.519   2.349  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        1.204  -3.453   2.071  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1        0.116  -3.706   0.354  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.546  -4.027  -0.285  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 7