REMARK  Name = BDB048338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.131   1.505  -2.999  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.332   1.613  -2.949  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.882   2.894  -2.508  0.00  0.00    +0.130 C 
BRANCH   2   6
ATOM      4  C   LIG    1        3.798  -0.441  -1.331  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        3.076   0.642  -1.687  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        2.083   0.493  -2.582  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        1.836  -0.745  -3.145  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.622  -1.795  -2.732  0.00  0.00    +0.116 A 
ATOM      9  N   LIG    1        3.600  -1.676  -1.824  0.00  0.00    -0.236 NA
BRANCH   4  13
ATOM     10  C   LIG    1        6.941   0.101   1.592  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        6.697  -1.157   1.034  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.680  -1.329   0.087  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.871  -0.256  -0.332  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        5.130   1.000   0.247  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.145   1.179   1.195  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.500   0.066   4.036  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        8.023   0.285   2.624  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   4  13
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.830   1.729  -1.658  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.545   0.646  -0.621  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.387   0.828   0.522  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.582   0.163   0.570  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -3.222   0.222   1.812  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.440  -0.417   1.973  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -5.293  -0.472   3.200  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -6.218  -1.650   2.856  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -6.378  -1.664   1.317  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -5.046  -1.090   0.908  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -4.428  -1.153  -0.329  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.189  -0.521  -0.495  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.558  -0.798   0.867  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.888  -0.993  -0.588  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -7.569  -1.923  -1.307  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -8.669  -0.002  -1.063  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -8.827  -0.248  -1.998  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11