REMARK  Name = BDB008037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.732   0.252   0.218  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.509   1.633  -0.399  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.432   2.857   0.347  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.231   3.892  -0.563  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.105   5.233  -0.175  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.193   5.518   1.190  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -0.389   4.511   2.128  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1       -0.048   7.152   1.716  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -0.165   3.328  -1.812  0.00  0.00    -0.349 N 
ATOM     10  H   LIG    1        0.054   3.844  -2.654  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.508   3.176   1.720  0.00  0.00    +0.012 A 
ATOM     12  CA  LIG    1       -0.349   1.964  -1.748  0.00  0.00    +0.131 A 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.291   1.091  -2.894  0.00  0.00    +0.354 C 
ATOM     14  O   LIG    1        0.251  -0.004  -2.916  0.00  0.00    -0.243 OA
BRANCH  13  15
ATOM     15  OXT LIG    1       -0.909   1.626  -3.969  0.00  0.00    -0.476 OA
ATOM     16  HXT LIG    1       -1.523   2.351  -3.749  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1   2
BRANCH   1  19
ATOM     17  N   LIG    1        1.341  -0.906  -0.559  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1        0.941  -0.713  -1.480  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.669  -0.367   0.521  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1        1.162  -0.289   1.646  0.00  0.00    -0.273 OA
BRANCH  17  22
ATOM     21  C   LIG    1        3.073  -1.910  -1.946  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1        2.743  -1.351  -0.550  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1        2.971  -2.473   0.476  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        3.682  -0.170  -0.261  0.00  0.00    +0.031 C 
ENDBRANCH  17  22
ENDBRANCH   1  19
BRANCH   1  25
ATOM     25  N   LIG    1       -1.715  -0.511  -0.579  0.00  0.00    -0.284 N 
ATOM     26  C   LIG    1       -2.968   0.051  -0.801  0.00  0.00    +0.329 C 
ATOM     27  O   LIG    1       -3.947  -0.531  -1.250  0.00  0.00    -0.279 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -1.651  -1.974  -0.624  0.00  0.00    +0.145 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.005  -2.629   0.688  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -3.334  -2.792   1.074  0.00  0.00    +0.117 A 
ATOM     31  N   LIG    1       -3.727  -3.351   2.242  0.00  0.00    -0.243 NA
ATOM     32  C   LIG    1       -2.747  -3.772   3.063  0.00  0.00    +0.129 A 
ATOM     33 CL   LIG    1       -3.290  -4.470   4.532  0.00  0.00    -0.062 Cl
ATOM     34  C   LIG    1       -1.397  -3.669   2.783  0.00  0.00    +0.040 A 
ATOM     35  C   LIG    1       -1.024  -3.090   1.572  0.00  0.00    +0.009 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8