REMARK  Name = BDB015041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.749   0.541   0.848  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        4.185  -0.525   0.270  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        3.040   0.240   0.550  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.764  -0.333   0.582  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.619  -1.689   0.304  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.742  -2.469   0.024  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.014  -1.893   0.012  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1        8.091   1.285   0.200  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        7.268   1.412   1.325  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        5.998   0.826   1.344  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.522   0.091   0.247  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        6.360  -0.039  -0.871  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        7.630   0.547  -0.895  0.00  0.00    +0.006 A 
BRANCH   8  14
ATOM     14  C   LIG    1        9.466   1.896   0.195  0.00  0.00    +0.191 C 
BRANCH  14  15
ATOM     15  O   LIG    1       10.375   1.091   0.934  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1        9.946   0.232   1.092  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   2  11
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.469   0.022   1.399  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.588   0.033   0.348  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.500  -1.129  -0.492  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -2.392  -1.213  -0.889  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.978   0.024   1.022  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.064  -0.159   0.031  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -5.310  -0.547   0.729  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -6.521  -0.617  -0.176  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.545   0.067  -1.404  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.689   0.011  -2.212  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.813  -0.699  -1.791  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.801  -1.360  -0.566  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.318   0.803  -1.877  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -7.663  -1.316   0.240  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.315   1.070  -0.745  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9