REMARK  Name = BDB049679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.544  -0.369   0.146  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.490   0.399  -0.560  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.790   0.215  -0.140  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.974  -0.670   0.307  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.160   1.150  -1.474  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.930   0.948  -0.530  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.878   2.168  -1.202  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -5.059   2.843  -1.537  0.00  0.00    +0.046 A 
ATOM      9 CL   LIG    1       -4.919   4.354  -2.368  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -6.313   2.311  -1.202  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1       -7.595   3.013  -1.551  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1       -6.357   1.090  -0.517  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -5.178   0.418  -0.182  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.646  -0.112  -0.603  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        3.172  -1.243   0.193  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.699  -1.532  -0.114  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.866  -0.247  -0.296  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.565   0.955   0.346  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.970   1.144  -0.238  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        5.112   0.003  -0.563  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.651   1.024  -1.576  0.00  0.00    +0.015 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.872   1.475  -0.401  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        7.179   1.020  -1.677  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  C   LIG    1       -0.798  -0.797   1.529  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.589  -2.083   1.659  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.334  -2.309   2.828  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.071  -3.484   2.987  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.067  -4.451   1.986  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.322  -4.247   0.827  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.583  -3.074   0.666  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7