REMARK  Name = BDB043829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.688  -0.140  -0.308  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.208   1.152   0.341  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.368   2.437  -0.310  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        0.273   3.395   0.467  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.337   4.751   0.119  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.280   5.138  -1.072  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -0.927   4.212  -1.882  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1       -0.230   6.792  -1.548  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1        0.805   2.741   1.543  0.00  0.00    -0.349 N 
ATOM     10  H   LIG    1        1.372   3.175   2.261  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.974   2.860  -1.516  0.00  0.00    +0.012 A 
ATOM     12  CA  LIG    1        0.495   1.396   1.531  0.00  0.00    +0.131 A 
BRANCH  12  13
ATOM     13  C   LIG    1        1.021   0.578   2.601  0.00  0.00    +0.354 C 
ATOM     14  O   LIG    1        2.100   0.776   3.142  0.00  0.00    -0.243 OA
BRANCH  13  15
ATOM     15  OXT LIG    1        0.204  -0.413   3.001  0.00  0.00    -0.476 OA
ATOM     16  HXT LIG    1       -0.723  -0.335   2.670  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1   2
BRANCH   1  19
ATOM     17  N   LIG    1       -1.864  -2.285   0.050  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1       -1.808  -2.314  -0.969  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -1.516  -1.071   0.612  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -1.909  -0.711   1.723  0.00  0.00    -0.273 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -2.793  -4.512  -0.259  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.739  -3.288   0.674  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -2.181  -3.747   2.031  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.163  -2.738   0.846  0.00  0.00    +0.031 C 
ENDBRANCH  17  22
ENDBRANCH   1  19
BRANCH   1  25
ATOM     25  N   LIG    1        0.389  -0.820  -1.060  0.00  0.00    -0.284 N 
ATOM     26  C   LIG    1        0.072  -1.458  -2.241  0.00  0.00    +0.329 C 
ATOM     27  O   LIG    1       -1.064  -1.566  -2.687  0.00  0.00    -0.279 OA
BRANCH  25  28
ATOM     28  C   LIG    1        1.694  -1.074  -0.457  0.00  0.00    +0.143 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.707   0.033  -0.658  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        2.680   0.889  -1.770  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        3.634   1.901  -1.915  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        4.633   2.055  -0.959  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        5.799   3.307  -1.134  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        4.692   1.201   0.137  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        3.739   0.190   0.282  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8