REMARK  Name = BDB039514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.551  -0.446   0.269  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.652   0.392   0.010  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.926  -0.137   0.120  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        4.250   0.511  -0.109  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        5.189  -0.553   0.224  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.542  -1.749   0.508  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.033  -2.833   0.754  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.103  -1.472   0.473  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.045  -2.328   0.714  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.753  -1.805   0.605  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -2.483   2.719  -1.550  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -2.284   1.592  -0.841  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.476   0.900  -0.213  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1       -4.699   1.088  -0.617  0.00  0.00    -0.297 NA
ATOM     15  H   LIG    1       -5.327   0.459  -0.086  0.00  0.00    +0.187 HD
ATOM     16  C   LIG    1       -3.133  -0.033   0.904  0.00  0.00    -0.005 C 
ATOM     17  C   LIG    1       -1.853  -0.393   1.069  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1       -0.821   0.134   0.142  0.00  0.00    +0.072 C 
ATOM     19  N   LIG    1       -1.013   1.078  -0.723  0.00  0.00    -0.244 NA
BRANCH  11  21
ATOM     20  C   LIG    1       -3.867   4.233  -2.961  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1       -3.658   3.405  -1.796  0.00  0.00    -0.351 N 
ATOM     22  H   LIG    1       -4.467   2.816  -1.540  0.00  0.00    +0.145 HD
ENDBRANCH  11  21
BRANCH  16  23
ATOM     23  C   LIG    1       -4.223  -0.466   1.849  0.00  0.00    +0.121 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.342  -1.142   1.187  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1       -4.991  -2.458   0.646  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -6.347  -3.099   0.389  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -7.311  -2.390   1.334  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -6.452  -1.401   2.107  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH   1  18
BRANCH   5  29
ATOM     29  C   LIG    1        6.622  -0.497  -0.062  0.00  0.00    +0.163 C 
ATOM     30  C   LIG    1        6.881  -0.372  -1.574  0.00  0.00    +0.240 C 
ATOM     31  O   LIG    1        6.275  -1.018  -2.426  0.00  0.00    -0.273 OA
ATOM     32  N   LIG    1        7.822   0.551  -1.950  0.00  0.00    -0.255 N 
ATOM     33  H   LIG    1        7.993   0.581  -2.948  0.00  0.00    +0.158 HD
ATOM     34  C   LIG    1        7.937   1.780  -1.360  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1        8.358   2.747  -1.988  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1        7.404   1.909   0.046  0.00  0.00    +0.098 C 
ATOM     37  C   LIG    1        7.360   0.566   0.752  0.00  0.00    +0.041 C 
ENDBRANCH   5  29
TORSDOF 5