REMARK  Name = BDB013219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352  -0.463   0.020  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -1.146  -0.020   1.081  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -2.466   0.331   0.937  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -2.932   0.735   2.102  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.920   0.612   3.030  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.038   0.195  -0.359  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.205  -0.252  -1.327  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.867   0.133   2.406  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.875  -0.597  -1.168  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.440   0.537  -0.700  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -5.018   1.711  -0.206  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.333   1.998  -0.535  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -7.103   1.206  -1.310  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -6.538   0.068  -1.761  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -5.232  -0.307  -1.486  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.974  -0.781   0.218  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.286  -1.308  -0.599  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.932   0.301   0.431  0.00  0.00    +0.140 C 
BRANCH  18  25
ATOM     19  C   LIG    1        5.011  -1.523   1.785  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.935  -1.431   0.743  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.514  -0.763  -0.402  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1        4.256  -0.189  -0.561  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        4.261   0.370  -1.871  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        5.500   0.107  -2.407  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1        3.324  -0.274   0.501  0.00  0.00    -0.020 A 
ATOM     26  O   LIG    1        6.266  -0.579  -1.521  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1        3.736  -0.962   1.667  0.00  0.00    +0.006 A 
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4