REMARK  Name = BDB012830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639   1.165   0.633  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.729   0.480   0.760  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.565   1.458   1.457  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.942   1.591   1.394  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.483   2.642   1.738  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.754   2.545   1.980  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.678   2.037   1.890  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.635  -3.170   1.667  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.773  -1.824   1.022  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.712  -0.988   1.098  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.814   0.231   0.521  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.975   0.651  -0.123  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.075  -0.211  -0.205  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -3.957  -1.474   0.383  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.314   0.200  -0.884  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -5.979   1.383  -0.521  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -7.153   1.766  -1.171  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1       -7.949   3.220  -0.705  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -7.687   0.984  -2.191  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -7.042  -0.192  -2.564  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.866  -0.580  -1.916  0.00  0.00    +0.008 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        3.714   0.476   0.904  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        3.458  -0.848   1.123  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        2.703  -1.252   1.665  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        4.340  -1.683   0.553  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.250  -0.869   0.004  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.910   0.489   0.212  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        6.442  -1.437  -0.712  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        6.459  -1.029  -2.187  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        7.751  -1.037  -0.030  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4