REMARK  Name = BDB006967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.164   1.011   1.567  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.988   0.590   0.933  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.714  -0.609   1.012  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.740  -0.608   0.060  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        3.606  -1.689  -0.073  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.454  -2.774   0.790  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        2.452  -2.763   1.774  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        2.732   0.675  -0.767  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        2.115   0.331  -2.140  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        1.579  -1.669   1.894  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        1.716   1.521   0.054  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -0.417   2.216   1.672  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.102   1.363  -0.831  0.00  0.00    -0.036 A 
ATOM     14  C   LIG    1        4.668   1.805  -2.039  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.918   2.433  -2.065  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.627   2.635  -0.886  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.088   2.211   0.323  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.840   1.584   0.350  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1        2.322  -3.874   2.671  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1        2.205  -4.770   3.399  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -1.161  -0.058   2.052  0.00  0.00    +0.181 C 
BRANCH  21  28
ATOM     22  C   LIG    1       -5.683  -1.868   2.397  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.568  -1.258   1.545  0.00  0.00    +0.065 C 
ATOM     24  N   LIG    1       -5.154  -0.487   0.431  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -6.116  -0.222   0.646  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.394   0.740   0.144  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -2.857   0.582   0.298  0.00  0.00    +0.092 C 
ATOM     28  N   LIG    1       -2.548   0.309   1.728  0.00  0.00    -0.287 NA
ATOM     29  C   LIG    1       -3.563  -0.480   2.439  0.00  0.00    +0.103 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -2.291  -0.434  -0.725  0.00  0.00    +0.163 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.440   0.001  -2.103  0.00  0.00    -0.270 N 
ATOM     32  N   LIG    1       -1.577   0.902  -2.616  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1       -1.985   1.043  -3.880  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -3.087   0.223  -4.183  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -3.353  -0.448  -3.014  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 6