REMARK  Name = BDB021412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.897   1.820   1.816  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.577   1.770   0.633  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        1.494   1.897  -0.412  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.114   1.526  -1.770  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -0.270   2.049  -2.136  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -1.266   1.661  -1.079  0.00  0.00    -0.033 A 
ATOM      7  C   LIG    1       -2.618   1.477  -1.400  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.539   1.153  -0.395  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.127   1.061   0.937  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.784   1.255   1.263  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.851   1.550   0.260  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -4.974   0.971  -0.714  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1       -5.306   0.153  -1.781  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1       -4.591  -1.058  -2.181  0.00  0.00    +0.102 C 
ATOM     15  C   LIG    1       -4.984  -2.187  -1.192  0.00  0.00    +0.182 C 
ATOM     16  O   LIG    1       -6.403  -2.448  -1.223  0.00  0.00    -0.376 OA
ATOM     17  C   LIG    1       -7.179  -1.236  -1.080  0.00  0.00    +0.182 C 
ATOM     18  C   LIG    1       -5.195  -1.323  -3.566  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -6.607  -0.709  -3.493  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -6.704  -0.142  -2.070  0.00  0.00    +0.102 C 
ATOM     21  O   LIG    1       -5.809   1.554  -0.030  0.00  0.00    -0.270 OA
ENDBRANCH   8  12
BRANCH   3  22
ATOM     22  C   LIG    1        2.917   2.016  -0.096  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.719   0.694  -0.159  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.303  -0.347   0.928  0.00  0.00    +0.088 C 
ATOM     25  N   LIG    1        3.724  -1.738   0.602  0.00  0.00    -0.307 NA
ATOM     26  H   LIG    1        3.314  -2.350   1.308  0.00  0.00    +0.123 HD
ATOM     27  C   LIG    1        5.180  -1.897   0.707  0.00  0.00    +0.117 C 
ATOM     28  C   LIG    1        5.744  -1.432   2.026  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.063  -0.478   2.801  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1        5.622  -0.038   4.010  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.857  -0.525   4.435  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.543  -1.457   3.660  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.991  -1.905   2.459  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        3.709   0.034   2.371  0.00  0.00    +0.056 C 
ENDBRANCH  23  24
BRANCH  23  35
ATOM     35  O   LIG    1        5.112   1.021  -0.070  0.00  0.00    -0.389 OA
ATOM     36  H   LIG    1        5.363   1.483  -0.887  0.00  0.00    +0.210 HD
ENDBRANCH  23  35
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5