REMARK  Name = BDB017397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.401   0.536  -0.717  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.011   1.064  -0.268  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -0.250   0.360   0.408  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.604   2.284  -0.748  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -1.394   3.177  -1.559  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1       -0.407   4.262  -1.996  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        0.566   4.339  -0.820  0.00  0.00    +0.035 C 
ATOM      8  N   LIG    1       -2.427   3.771  -0.730  0.00  0.00    -0.298 NA
ATOM      9  H   LIG    1       -2.999   4.387  -1.307  0.00  0.00    +0.124 HD
ATOM     10  C   LIG    1       -3.293   2.844  -0.002  0.00  0.00    +0.085 C 
ATOM     11  C   LIG    1        0.695   2.873  -0.398  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.578   1.524  -0.714  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.092  -0.714   1.326  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.676  -0.714   0.007  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -2.058  -1.478  -0.236  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.424   0.310   1.923  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.035  -2.099   2.028  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -3.734  -3.181   1.209  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -3.034  -2.787   4.361  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -3.705  -1.992   3.343  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -3.679  -1.003   3.621  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH  11  22
ATOM     22  C   LIG    1        1.835   2.162  -1.166  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1        2.176   0.935  -0.640  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1        1.505   0.516   0.006  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1        2.365   2.625  -2.173  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        3.100   0.035  -1.310  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        3.687  -0.970  -0.329  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1        3.852  -2.327  -0.673  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        4.412  -3.217   0.258  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.838  -2.768   1.506  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.710  -1.424   1.840  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.400  -2.867  -2.007  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1        3.227  -1.777  -3.059  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        4.145  -0.532   0.928  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1        2.389  -0.638  -2.497  0.00  0.00    +0.027 C 
ENDBRANCH  23  26
ENDBRANCH  11  22
TORSDOF 5