REMARK  Name = BDB003981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.801  -1.459  -0.368  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.373  -0.638  -0.335  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.474   0.739  -0.621  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.826   1.092  -0.447  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        2.283   2.383  -0.627  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.352   3.349  -1.000  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.000   3.009  -1.181  0.00  0.00    +0.006 A 
ATOM      8  N   LIG    1        2.541  -0.059  -0.077  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -0.470   1.690  -0.997  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        1.643  -1.136   0.022  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        1.918  -2.280   0.352  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        3.951  -0.126   0.273  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        4.059  -0.236   1.808  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        3.252   0.289   2.579  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        5.158  -0.874   2.343  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.078  -0.972   3.348  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.477  -0.747   1.985  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        7.353  -0.900   2.835  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.819  -0.298   0.585  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        6.178  -1.120  -0.523  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        4.659  -1.285  -0.439  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   9  22
ATOM     22  C   LIG    1       -1.941   1.435  -1.173  0.00  0.00    +0.048 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.710   1.646   0.124  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.146   1.246  -0.072  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -5.036   2.030  -0.365  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -4.276  -0.098   0.088  0.00  0.00    -0.459 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.563  -0.746  -0.075  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -5.285  -2.234   0.188  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -6.574  -0.244   0.961  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.084  -0.591  -1.508  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6