REMARK  Name = BDB012628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.760   1.991  -0.025  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.077   1.021  -0.703  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.145   0.926  -0.068  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.211   1.833   0.973  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.055   2.459   0.966  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.221   0.013  -0.430  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.006  -0.802  -1.495  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        2.998  -1.647  -1.834  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.208  -1.727  -1.164  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.424  -0.886  -0.070  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.406  -0.001   0.298  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.665  -0.910   0.684  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.907  -0.123   1.783  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.126  -0.389   2.231  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        7.649  -1.326   1.430  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.587  -1.659   1.619  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.777  -1.688   0.447  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.093   2.479  -0.330  0.00  0.00    +0.160 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -4.833  -0.178  -0.270  0.00  0.00    +0.155 A 
ATOM     20  C   LIG    1       -3.848   0.716  -0.709  0.00  0.00    +0.170 A 
ATOM     21  F   LIG    1       -3.561   0.788  -2.019  0.00  0.00    -0.201 F 
ATOM     22  C   LIG    1       -3.153   1.543   0.181  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -3.458   1.464   1.546  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.437   0.577   1.997  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.124  -0.241   1.094  0.00  0.00    +0.048 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -6.392  -1.889  -0.832  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.437  -0.922  -1.248  0.00  0.00    -0.492 OA
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 5