REMARK  Name = BDB039499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.054  -0.265  -0.076  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.113   0.156   0.599  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.326  -0.450   0.313  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.674  -0.213   0.899  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.551  -1.056   0.087  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.786  -1.915  -0.707  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.159  -2.876  -1.350  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.394  -1.465  -0.630  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.288  -1.915  -1.320  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.062  -1.302  -1.040  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        1.602   4.597   1.016  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        2.662   3.618   0.987  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1        2.476   2.284   0.726  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1        3.721   1.665   0.769  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.780   0.277   0.529  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        2.551  -0.351   0.247  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        1.356   0.378   0.220  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1        4.672   2.682   1.068  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1        1.286   1.706   0.475  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        3.992   3.874   1.200  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.062  -0.523   0.562  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.902  -0.268  -0.616  0.00  0.00    -0.293 NA
ATOM     23  C   LIG    1        5.451  -1.037  -1.788  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1        6.663  -1.978  -1.659  0.00  0.00    +0.142 C 
ATOM     25  C   LIG    1        7.153  -1.042  -0.540  0.00  0.00    +0.117 C 
BRANCH  24  26
ATOM     26  O   LIG    1        6.393  -3.353  -1.297  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1        5.844  -3.305  -0.497  0.00  0.00    +0.210 HD
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  28
ATOM     28  C   LIG    1       -5.874  -1.477   0.570  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1       -6.791  -1.968  -0.564  0.00  0.00    +0.240 C 
ATOM     30  O   LIG    1       -7.296  -3.088  -0.582  0.00  0.00    -0.273 OA
ATOM     31  N   LIG    1       -7.157  -1.011  -1.475  0.00  0.00    -0.255 N 
ATOM     32  H   LIG    1       -7.739  -1.380  -2.216  0.00  0.00    +0.158 HD
ATOM     33  C   LIG    1       -7.601   0.210  -1.047  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -8.474   0.819  -1.659  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -6.968   0.766   0.210  0.00  0.00    +0.098 C 
ATOM     36  C   LIG    1       -6.652  -0.330   1.227  0.00  0.00    +0.041 C 
ENDBRANCH   5  28
TORSDOF 5