REMARK  Name = BDB012868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.960   0.752   0.574  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.239   0.006  -0.556  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.179   0.173  -0.264  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.125  -0.453  -1.061  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.783  -1.193  -1.981  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.372   0.712   1.076  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        0.991   0.586   1.743  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.514  -0.214  -0.763  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -3.061   0.980  -0.391  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -2.589   1.871  -0.286  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -4.381   0.932  -0.153  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.722  -0.321  -0.479  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.592  -1.070  -0.882  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.147  -0.788  -0.401  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -6.687  -0.728   1.030  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -7.055  -0.006  -1.353  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        4.344   0.543   0.033  0.00  0.00    +0.213 C 
ATOM     18  N   LIG    1        3.285   0.244   0.867  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        3.375  -0.563   1.472  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.250   1.313  -0.915  0.00  0.00    -0.276 OA
BRANCH  17  21
ATOM     21  C   LIG    1        5.621  -0.178   0.420  0.00  0.00    +0.095 C 
BRANCH  21  23
ATOM     22  C   LIG    1        8.058  -0.550  -0.093  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.787   0.180  -0.497  0.00  0.00    +0.006 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5