REMARK  Name = BDB056414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.277  -0.822  -0.028  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -1.649  -2.012  -0.727  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.971  -1.850  -1.122  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1       -3.736  -2.717  -1.812  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1       -3.076  -3.861  -2.123  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -1.757  -4.152  -1.791  0.00  0.00    +0.060 A 
ATOM      7 CL   LIG    1       -1.048  -5.647  -2.256  0.00  0.00    -0.082 Cl
ATOM      8  N   LIG    1       -3.392  -0.627  -0.687  0.00  0.00    -0.339 N 
ATOM      9  H   LIG    1       -4.321  -0.269  -0.842  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.011  -3.216  -1.077  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -2.381   0.018  -0.013  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        2.211   0.506   0.386  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        0.955   0.218  -0.169  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.013  -0.521   0.557  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        0.329  -0.996   1.833  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        1.580  -0.724   2.386  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.516   0.020   1.666  0.00  0.00    +0.005 A 
BRANCH  12  18
ATOM     18  C   LIG    1        3.236   1.288  -0.393  0.00  0.00    +0.139 C 
BRANCH  18  21
ATOM     19  C   LIG    1        6.093  -0.976  -1.404  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        5.361   0.060  -0.595  0.00  0.00    +0.210 C 
ATOM     21  N   LIG    1        4.128   0.398  -1.101  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        3.729  -0.172  -1.833  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        5.838   0.539   0.429  0.00  0.00    -0.276 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  14
BRANCH  11  24
ATOM     24  C   LIG    1       -2.552   1.427   0.618  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -3.701   2.182   0.554  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1       -3.428   3.338   1.228  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1       -4.319   4.453   1.440  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1       -2.180   3.388   1.724  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -1.649   2.216   1.356  0.00  0.00    +0.144 A 
ENDBRANCH  11  24
TORSDOF 4