REMARK  Name = BDB046896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.995  -0.488   0.321  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1        3.070   0.467   0.593  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1        1.893  -0.149   0.489  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        2.010  -1.512   0.159  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        3.372  -1.700   0.059  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        9.279   2.421   0.788  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        8.060   2.302   0.815  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        7.394   1.016   0.534  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        5.992   0.969   0.585  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        5.417  -0.281   0.308  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1        6.171  -1.393   0.005  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        7.513  -1.278  -0.027  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        5.256   2.130   0.900  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        5.880   3.228   1.138  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        8.171  -0.100   0.229  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        7.234   3.352   1.107  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.678   4.238   1.301  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.927  -2.522  -0.024  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.072  -2.180  -1.147  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.975  -1.046  -0.865  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -1.713  -0.624  -2.066  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -3.151  -1.138  -2.111  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.974  -0.645  -0.904  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1       -3.065  -0.382   0.311  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -1.842  -1.298   0.297  0.00  0.00    +0.084 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.803   0.603  -1.272  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.779   1.018  -0.195  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -5.519   2.142   0.605  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -6.417   2.518   1.605  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -7.573   1.773   1.804  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1       -8.434   2.135   2.764  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.849   0.658   1.023  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -6.952   0.280   0.023  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6