REMARK  Name = BDB040746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.319   0.319  -0.934  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.277  -0.395  -0.245  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.703   0.657  -0.801  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.552   1.533  -0.976  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.519  -0.046  -0.324  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -4.643  -1.098  -0.005  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -5.211  -2.609   0.618  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -3.261  -0.973  -0.204  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -2.708   0.199  -0.728  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -3.578   1.236  -1.075  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.959   1.117  -0.881  0.00  0.00    +0.007 A 
BRANCH   5  18
ATOM     12  O   LIG    1      -10.986   0.779  -0.935  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -9.804   0.504  -0.748  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -9.005   1.305   0.027  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1       -9.448   2.127   0.415  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -7.696   1.100   0.399  0.00  0.00    +0.227 C 
ATOM     17  O   LIG    1       -7.154   1.885   1.174  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.028  -0.163  -0.146  0.00  0.00    +0.107 C 
ATOM     19  C   LIG    1       -7.673  -0.573  -1.475  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -9.171  -0.753  -1.289  0.00  0.00    +0.097 C 
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  N   LIG    1        1.700   1.173   0.152  0.00  0.00    -0.275 N 
ATOM     22  H   LIG    1        1.744   2.147   0.418  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1        2.643   0.380   0.733  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1        2.759  -0.820   0.545  0.00  0.00    -0.226 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.417   1.140   1.542  0.00  0.00    -0.450 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.473   0.459   2.242  0.00  0.00    +0.237 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.790   0.746   1.544  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1        6.073   0.008   0.198  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        7.487  -0.180   0.702  0.00  0.00    -0.029 C 
ATOM     30  C   LIG    1        8.571   0.708   0.131  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        9.009  -0.524  -0.704  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        8.250  -1.419   0.310  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        7.044   0.024   2.127  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  21
TORSDOF 6