REMARK  Name = BDB001320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.491  -0.784   0.066  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1        0.072   0.430  -0.542  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -1.296   0.359  -0.753  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1       -2.057   1.324  -1.307  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -1.346   2.407  -1.661  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        0.059   2.508  -1.461  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        0.710   3.669  -1.859  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        0.020   4.731  -2.446  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.351   4.632  -2.640  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.019   3.472  -2.246  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -1.729  -0.857  -0.287  0.00  0.00    -0.310 N 
ATOM     12  N   LIG    1        0.791   1.528  -0.902  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -0.652  -1.566   0.202  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1        2.793  -0.193   0.315  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        2.505   0.661  -0.160  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        1.838  -1.176   0.465  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        2.100  -2.300   0.888  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.213  -0.441   0.511  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1        4.899   0.862   0.916  0.00  0.00    +0.028 C 
BRANCH  18  21
ATOM     20  C   LIG    1        6.271  -1.474  -0.606  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.817  -1.056  -0.762  0.00  0.00    +0.018 C 
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH  13  22
ATOM     22  N   LIG    1       -0.783  -2.803   0.739  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        0.093  -3.290   0.965  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1       -1.480  -3.458   0.398  0.00  0.00    +0.144 HD
ENDBRANCH  13  22
BRANCH  11  25
ATOM     25  C   LIG    1       -3.118  -1.272  -0.311  0.00  0.00    +0.156 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.998  -0.579   0.737  0.00  0.00    +0.138 C 
ATOM     27  O   LIG    1       -5.351  -1.069   0.570  0.00  0.00    -0.375 OA
ATOM     28  C   LIG    1       -5.727  -1.805   1.742  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -4.452  -2.096   2.499  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1       -3.625  -0.876   2.185  0.00  0.00    +0.035 C 
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 6