REMARK  Name = BDB014452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.948   0.648   1.543  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.349   1.873   1.792  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.774   2.705   1.403  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.649  -0.375   2.151  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.996   0.708   0.425  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.568  -0.567   0.182  0.00  0.00    -0.483 OA
BRANCH   6  12
ATOM      7  C   LIG    1        7.143  -0.959  -4.585  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        6.379  -1.653  -3.580  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1        5.447  -1.095  -2.740  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        5.003  -2.167  -1.971  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1        4.026  -1.950  -0.990  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1        3.515  -0.658  -0.803  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.980   0.401  -1.591  0.00  0.00    +0.048 A 
ATOM     14  N   LIG    1        5.642  -3.329  -2.331  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        4.958   0.204  -2.578  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        6.462  -2.987  -3.299  0.00  0.00    +0.200 A 
ENDBRANCH   6  12
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.591   2.053   2.887  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.852   2.823   2.478  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.617   3.125   3.655  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -3.248   2.378   3.734  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.779   2.116   1.459  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.622   1.062   2.076  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.909   0.925   1.360  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.835   0.042   0.140  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.197  -1.200   0.290  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.147  -2.099  -0.775  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.722  -1.750  -1.997  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.354  -0.514  -2.151  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.608  -1.492   1.644  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.417   0.382  -1.083  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.890  -0.233   2.172  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8