REMARK  Name = BDB007611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.380   2.069   0.147  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.827   1.252   1.165  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.154   0.860   1.812  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.127   2.786  -0.508  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.280   1.030  -0.052  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        1.905   0.984   0.202  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        1.086   2.076  -0.111  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        1.648   3.210  -0.708  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.018   3.257  -0.966  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.833   2.171  -0.636  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        3.955  -0.105   0.302  0.00  0.00    -0.487 OA
BRANCH  11  14
ATOM     12  N   LIG    1        7.054  -1.862   0.259  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1        5.937  -1.275   1.031  0.00  0.00    +0.129 C 
ATOM     14  C   LIG    1        5.378  -0.115   0.189  0.00  0.00    +0.189 C 
ATOM     15  C   LIG    1        5.836  -0.442  -1.233  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        6.532  -1.790  -1.116  0.00  0.00    +0.088 C 
BRANCH  12  18
ATOM     17  C   LIG    1        8.863  -1.410   1.893  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        8.335  -1.146   0.471  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        9.433  -1.593  -0.510  0.00  0.00    +0.024 C 
ENDBRANCH  12  18
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -2.222   1.278   1.589  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.151   0.529   0.616  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.660  -0.819   0.505  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.775  -0.729   0.108  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.600   0.523   1.162  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.659   0.259   0.160  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.983   0.416   0.801  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -8.152   0.022  -0.076  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.970  -0.827  -1.180  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -9.072  -1.210  -1.955  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1      -10.354  -0.774  -1.621  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1      -10.542   0.053  -0.516  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.582  -1.264  -1.565  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -9.447   0.448   0.254  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.558  -1.083  -0.434  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9