REMARK  Name = BDB034683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.718  -2.119   1.032  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.397  -1.702   0.805  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.246  -2.703   0.077  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.561  -2.584  -0.312  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.235  -1.411   0.051  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.603  -0.385   0.793  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.668  -3.739  -0.139  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.394  -4.954  -0.850  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.256  -0.541   1.172  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.901  -3.398   0.454  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.923  -4.065   0.466  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.255   0.823   1.127  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -1.878   1.248   1.973  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.324   1.516   0.514  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -4.182   2.343   1.267  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -5.244   2.961   0.614  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1       -6.365   3.998   1.409  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -5.523   2.827  -0.702  0.00  0.00    -0.227 NA
ATOM     19  CA  LIG    1       -4.683   2.023  -1.403  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1       -3.596   1.361  -0.851  0.00  0.00    +0.059 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.970   2.544   2.666  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.742   2.690   3.794  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
BRANCH  19  23
ATOM     23  C   LIG    1       -4.995   1.877  -2.853  0.00  0.00    +0.355 C 
ATOM     24  O   LIG    1       -4.360   1.187  -3.629  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  OXT LIG    1       -6.083   2.610  -3.186  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1       -6.430   3.079  -2.392  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1        2.736  -1.401   1.752  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.823  -0.792   0.858  0.00  0.00    +0.036 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.317   0.327  -0.071  0.00  0.00    +0.096 C 
ATOM     30  C   LIG    1        2.949  -0.178  -1.463  0.00  0.00    +0.019 C 
BRANCH  29  31
ATOM     31  C   LIG    1        4.384   1.397  -0.229  0.00  0.00    +0.310 C 
ATOM     32  O   LIG    1        5.587   1.185  -0.291  0.00  0.00    -0.251 OA
BRANCH  31  34
ATOM     33  C   LIG    1        4.731   3.697  -0.490  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        3.801   2.627  -0.312  0.00  0.00    -0.468 OA
ENDBRANCH  31  34
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 10