REMARK  Name = BDB034742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.659   0.994  -1.220  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.286   1.049  -0.938  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.041   2.379  -0.671  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.325   2.760  -0.354  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.298   1.752  -0.303  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.986   0.397  -0.570  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.125   3.144  -0.788  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.213   4.559  -0.573  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.664   0.048  -0.897  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.199   2.296  -1.119  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.369   2.608  -1.280  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.953  -0.626  -0.480  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.697  -1.466  -0.997  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.088  -0.769   0.353  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.181  -1.562  -0.043  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.285  -1.623   0.798  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.693  -2.550   0.441  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.385  -0.967   1.976  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.330  -0.213   2.338  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.185  -0.081   1.570  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.162  -2.280  -1.278  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.097  -2.857  -2.283  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.430  -0.192  -1.513  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.896  -1.001  -0.276  0.00  0.00    +0.148 C 
ATOM     25  O   LIG    1       -1.748  -1.670   0.302  0.00  0.00    -0.440 OA
ATOM     26  C   LIG    1       -2.010  -3.001   0.431  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1       -1.227  -3.821   0.874  0.00  0.00    -0.226 OA
ATOM     28  N   LIG    1       -3.259  -3.276  -0.041  0.00  0.00    -0.277 N 
ATOM     29  H   LIG    1       -3.525  -4.242  -0.180  0.00  0.00    +0.152 HD
ATOM     30  C   LIG    1       -3.786  -2.156  -0.741  0.00  0.00    +0.157 C 
BRANCH  24  32
ATOM     31  C   LIG    1       -4.042  -0.849   2.049  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -3.562  -0.115   0.800  0.00  0.00    +0.048 C 
ENDBRANCH  24  32
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6