REMARK  Name = BDB003343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.630  -1.593  -0.152  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1        0.539  -0.786  -0.208  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.680  -1.056   0.579  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.835  -0.272   0.427  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.879   0.792  -0.489  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.725   1.091  -1.232  0.00  0.00    +0.051 A 
ATOM      7 CL   LIG    1        1.643   2.425  -2.338  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.687  -2.167   1.603  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.281  -2.692   1.869  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        0.577   0.302  -1.097  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -0.430  -2.877   0.538  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -3.218   0.425   1.338  0.00  0.00    +0.128 A 
ATOM     13  N   LIG    1       -1.988   0.030   0.936  0.00  0.00    -0.226 NA
ATOM     14  C   LIG    1       -1.919  -1.046   0.113  0.00  0.00    +0.134 A 
ATOM     15  C   LIG    1       -3.084  -1.655  -0.438  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -4.349  -1.179  -0.014  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1       -5.527  -1.753  -0.528  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -5.468  -2.784  -1.472  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.235  -3.254  -1.910  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.059  -2.694  -1.402  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.411  -0.140   0.915  0.00  0.00    +0.041 A 
BRANCH  12  25
ATOM     22  C   LIG    1       -2.554   3.833   2.835  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1       -2.711   2.722   1.920  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -2.171   2.721   1.057  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -3.246   1.515   2.351  0.00  0.00    +0.262 C 
ATOM     26  O   LIG    1       -3.710   1.296   3.474  0.00  0.00    -0.269 OA
ENDBRANCH  12  25
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  C   LIG    1        4.120   1.528  -0.614  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        4.855   1.635  -1.776  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.959   2.368  -1.451  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        7.038   2.719  -2.344  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.008   2.733  -0.151  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        4.882   2.226   0.359  0.00  0.00    +0.143 A 
ENDBRANCH   5  27
TORSDOF 3