REMARK  Name = BDB001377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.429  -1.294   0.040  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.196  -0.447  -0.887  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -2.554  -0.711  -0.858  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -3.431  -0.239  -1.556  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -2.786  -1.690   0.197  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.989  -2.213   0.637  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.948  -3.114   1.700  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.722  -3.460   2.293  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.519  -2.915   1.827  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.558  -2.027   0.757  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.483  -2.334  -0.644  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.479  -3.014   0.084  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.291  -3.979  -0.518  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        2.110  -4.305  -1.858  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        1.108  -3.678  -2.591  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        0.296  -2.712  -1.989  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1        0.157  -0.484   1.057  0.00  0.00    -0.340 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.440   0.066   0.797  0.00  0.00    +0.237 C 
BRANCH  18  21
ATOM     19  C   LIG    1        2.521   3.241   2.056  0.00  0.00    +0.167 A 
ATOM     20  O   LIG    1        2.614   2.128   1.269  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1        1.549   1.329   1.572  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        0.795   1.912   2.570  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        1.419   3.142   2.880  0.00  0.00    +0.053 A 
BRANCH  19  25
ATOM     24  O   LIG    1        3.552   5.318   2.545  0.00  0.00    -0.292 OA
ATOM     25  C   LIG    1        3.513   4.269   1.905  0.00  0.00    +0.296 C 
ENDBRANCH  19  25
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  26
ATOM     26  C   LIG    1       -0.626   0.502  -1.830  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.480   1.919  -1.322  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        0.607   2.697  -1.757  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        0.752   4.022  -1.340  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.194   4.593  -0.494  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.290   3.843  -0.073  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.437   2.518  -0.491  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7