REMARK  Name = BDB053573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.130   0.349  -1.017  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.744  -0.803  -1.513  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.045  -1.141  -1.129  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        3.743  -0.328  -0.229  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.136   0.836   0.256  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.833   1.171  -0.135  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        5.127  -0.718   0.160  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        5.893  -1.298  -0.715  0.00  0.00    -0.171 NA
ATOM      9  N   LIG    1        7.155  -1.629  -0.312  0.00  0.00    -0.243 N 
ATOM     10  H   LIG    1        7.753  -2.064  -1.006  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        7.687  -1.399   0.929  0.00  0.00    +0.265 A 
ATOM     12  O   LIG    1        8.835  -1.696   1.239  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        6.784  -0.768   1.907  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1        5.540  -0.432   1.557  0.00  0.00    +0.035 A 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -0.140   0.560  -1.474  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -0.836   1.703  -0.973  0.00  0.00    +0.230 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.248   1.713  -1.560  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.113   0.542  -1.065  0.00  0.00    +0.088 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -3.327  -1.985   0.500  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -3.929  -0.658   0.950  0.00  0.00    +0.054 C 
ATOM     21  N   LIG    1       -3.350   0.585   0.389  0.00  0.00    -0.300 NA
ATOM     22  C   LIG    1       -4.346   1.609   0.758  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -5.711   0.938   0.657  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -5.425  -0.557   0.665  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6