REMARK  Name = BDB011901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.353  -0.309   0.504  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.730  -1.139   0.714  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -1.646  -0.847   1.849  0.00  0.00    +0.193 C 
ATOM      4  C   LIG    1       -2.509  -2.083   1.907  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -2.117  -2.999   0.925  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -2.771  -4.210   0.771  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.841  -4.496   1.622  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.234  -3.580   2.610  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.565  -2.364   2.760  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.931  -2.485   0.179  0.00  0.00    +0.144 C 
ATOM     11  O   LIG    1        0.462   0.721   1.178  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.526   0.420   1.649  0.00  0.00    +0.242 C 
ATOM     13  N   LIG    1       -2.721   0.743   0.312  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -2.252   0.134  -0.344  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -3.078   0.962   2.605  0.00  0.00    -0.273 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.478   1.798  -0.228  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -3.549   1.885  -1.625  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.278   2.905  -2.241  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.941   3.851  -1.465  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.875   3.775  -0.076  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.146   2.752   0.541  0.00  0.00    +0.023 A 
ENDBRANCH  13  16
ENDBRANCH   3  12
BRANCH   1  22
ATOM     22  C   LIG    1        1.331  -0.594  -0.681  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.138   1.087  -0.194  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        2.091   0.632  -0.975  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        1.543   1.374  -1.391  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        3.617   0.442   0.734  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        3.629   2.518  -0.555  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        3.874   2.700  -2.053  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        6.049   2.262  -0.131  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        4.800   2.896   0.275  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        4.590   2.579   1.228  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        2.139  -1.918  -0.684  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        3.235  -1.945  -1.757  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        2.705  -2.366   0.666  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7