REMARK  Name = BDB004736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.075  -0.404   0.089  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.385  -0.108  -0.350  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.443  -0.546   0.472  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.759  -0.244   0.060  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        5.011   0.456  -1.136  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.965   0.867  -1.946  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.186  -1.234   1.607  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.908  -1.490   1.908  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.663   0.585  -1.556  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.844  -1.113   1.203  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.975  -0.639   0.840  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        7.106  -0.385   0.439  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.806  -1.295   2.022  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.878  -1.544   2.352  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.621  -1.588   2.541  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.022   0.014  -0.688  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1        0.076   1.006  -0.890  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.383  -0.272  -0.191  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.915   0.983   0.497  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.552   2.019  -0.205  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.991   3.162   0.466  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1       -3.853   4.541  -0.501  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -2.796   3.301   1.838  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -2.155   2.288   2.546  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.716   1.141   1.881  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.233  -0.779  -1.409  0.00  0.00    +0.110 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.917  -2.053  -0.186  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -3.680  -1.002  -1.177  0.00  0.00    -0.306 NA
ATOM     29  C   LIG    1       -4.343  -1.345  -2.437  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6