REMARK  Name = BDB012626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.105  -1.624   0.773  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.232  -0.611   1.057  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.860  -0.833   0.242  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.661  -1.970  -0.517  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.524  -2.421  -0.171  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.056  -0.003   0.182  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.104   1.070   1.013  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.209   1.839   0.960  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.280   1.597   0.117  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.225   0.492  -0.735  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.087  -0.320  -0.696  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.308   0.170  -1.648  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.294  -0.906  -2.501  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        6.427  -0.910  -3.190  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        7.146   0.142  -2.782  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.054   0.303  -3.202  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.492   0.852  -1.818  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.393  -1.851   1.402  0.00  0.00    +0.160 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -5.228   2.297   1.353  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -4.857   0.983   0.736  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.865   0.188   1.318  0.00  0.00    +0.131 A 
ATOM     22  F   LIG    1       -3.274   0.603   2.449  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.474  -1.032   0.754  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.090  -1.449  -0.434  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -5.073  -0.660  -1.033  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.453   0.552  -0.454  0.00  0.00    +0.006 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4