REMARK  Name = BDB020951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.252   1.090   0.140  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.638  -0.224  -0.095  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.358  -0.069  -0.937  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.404   0.900  -0.379  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.890   1.072  -0.834  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.673   1.867  -0.310  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.891   1.705   0.744  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.346   2.179   0.555  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.783  -1.518   2.088  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        6.268  -0.174   1.668  0.00  0.00    +0.040 A 
ATOM     11  N   LIG    1        5.033  -0.131   1.111  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1        4.520   1.059   0.724  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        5.267   2.228   0.870  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        6.537   2.180   1.441  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.047   0.959   1.852  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   5  16
ATOM     16  C   LIG    1       -1.324   0.209  -2.011  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.712   0.585  -2.526  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.796  -0.048  -1.685  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -4.037   0.532  -0.469  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.459   1.310  -0.154  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -4.962   0.057   0.425  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -5.133   0.555   1.531  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.734  -1.112  -0.030  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.429  -1.636  -1.290  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -6.145  -2.746  -1.741  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.145  -3.320  -0.948  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.437  -2.786   0.308  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.730  -1.678   0.773  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -4.431  -1.090  -2.115  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 4