REMARK  Name = BDB065376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.881  -1.000  -0.931  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        3.629  -2.183  -0.227  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        2.358  -2.440   0.298  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.310  -1.523   0.132  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.566  -0.341  -0.575  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.837  -0.082  -1.100  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.003  -1.820   0.693  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -0.286  -2.969   1.390  0.00  0.00    -0.130 NA
ATOM      9  N   LIG    1       -1.560  -2.927   1.759  0.00  0.00    -0.065 NA
ATOM     10  N   LIG    1       -2.067  -1.772   1.302  0.00  0.00    -0.251 N 
ATOM     11  C   LIG    1       -1.132  -1.041   0.632  0.00  0.00    +0.138 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -3.451  -1.427   1.552  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.365  -1.885   0.417  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.832  -1.503   0.638  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.273  -0.228  -0.092  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.616   1.051   0.432  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.167   2.306  -0.249  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.669   2.460  -1.662  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1       -4.743   1.866  -2.188  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -6.359   3.397  -2.340  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1       -5.936   3.415  -3.224  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        5.256  -0.707  -1.489  0.00  0.00    +0.161 C 
BRANCH  22  27
ATOM     23  C   LIG    1        7.194   2.288   0.627  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1        6.653   2.593  -0.510  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.997   1.628  -1.238  0.00  0.00    +0.350 A 
ATOM     26  O   LIG    1        5.465   1.912  -2.310  0.00  0.00    -0.244 OA
ATOM     27  N   LIG    1        5.961   0.325  -0.732  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1        6.530   0.009   0.481  0.00  0.00    +0.094 A 
ATOM     29  C   LIG    1        7.157   0.932   1.208  0.00  0.00    +0.061 A 
BRANCH  23  30
ATOM     30  N   LIG    1        7.831   3.294   1.299  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        8.656   3.039   1.828  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.977   4.106   0.707  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 12