REMARK  Name = BDB029253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.214  -0.603  -0.856  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -1.019   0.736  -0.199  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.383   1.353  -0.482  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.466   0.388  -0.315  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.548   0.696   0.489  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1        2.670   1.755   1.094  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        1.304  -0.883  -1.025  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.074  -1.036  -1.702  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.895  -1.620   0.634  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -1.579  -1.600   0.094  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -0.672  -2.546   0.436  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -1.018  -3.457   1.379  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -2.245  -3.484   2.012  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -2.591  -4.654   3.218  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -3.192  -2.543   1.643  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -3.856  -0.637   0.319  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -3.660  -0.237  -0.599  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -4.816  -0.955   0.398  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.074   1.733  -0.679  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.689   2.594   0.248  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.643   3.525  -0.168  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.989   3.609  -1.514  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -5.165   4.755  -2.027  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.388   2.770  -2.449  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.434   1.837  -2.034  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        3.608  -0.336   0.613  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        5.049   0.106   0.808  0.00  0.00    +0.110 C 
ATOM     28  C   LIG    1        4.626  -0.537  -0.486  0.00  0.00    +0.029 C 
BRANCH  27  29
ATOM     29  C   LIG    1        5.904  -0.620   1.763  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        5.785  -1.801   2.043  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.870   0.147   2.301  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        7.345  -0.458   2.906  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH   5  26
TORSDOF 6