REMARK  Name = BDB047590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.599  -1.415  -1.167  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.274  -0.339  -0.577  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -3.529   0.057  -1.063  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -4.072  -0.624  -2.164  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.404  -1.711  -2.734  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.172  -2.118  -2.228  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.132   0.836  -0.649  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        2.181   0.689  -1.847  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        0.777   0.296  -1.406  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        0.771  -0.954  -0.642  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -0.291  -1.857  -0.638  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1       -0.211  -3.004  -0.206  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.037  -1.385  -0.057  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.846  -0.199   0.456  0.00  0.00    +0.032 C 
BRANCH   7  17
ATOM     15  N   LIG    1        5.489   1.101  -0.096  0.00  0.00    -0.315 N 
ATOM     16  H   LIG    1        5.133   1.589   0.715  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        4.592   0.778  -1.096  0.00  0.00    +0.216 C 
ATOM     18  O   LIG    1        4.939   0.482  -2.234  0.00  0.00    -0.276 OA
BRANCH  15  19
ATOM     19  C   LIG    1        6.908   1.204  -0.377  0.00  0.00    +0.107 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.650  -0.231   1.573  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        7.754   1.140   0.902  0.00  0.00    -0.000 C 
ATOM     22  C   LIG    1        9.215   1.457   0.582  0.00  0.00    +0.009 C 
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  C   LIG    1       -4.250   1.227  -0.431  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.738   0.990  -0.207  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -6.195   0.100   0.892  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.570  -0.077   1.036  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -8.083  -0.901   2.045  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.212  -1.554   2.916  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.835  -1.382   2.777  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.484   0.614   0.113  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -9.700   0.490   0.203  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.894   1.400  -0.846  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -8.510   1.885  -1.491  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.324  -0.557   1.770  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -6.559   1.594  -1.016  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6