REMARK  Name = BDB002973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.056   0.435   0.363  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        3.608  -0.166   1.494  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1        4.648  -0.980   1.039  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        5.434  -1.737   1.905  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        5.121  -1.642   3.267  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.070  -0.828   3.727  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        4.668  -0.851  -0.342  0.00  0.00    -0.329 N 
ATOM      8  C   LIG    1        5.576  -1.565  -1.241  0.00  0.00    +0.150 C 
ATOM      9  C   LIG    1        3.286  -0.069   2.847  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.751   0.060  -0.744  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.847   1.295   0.357  0.00  0.00    +0.244 C 
BRANCH  11  12
ATOM     12  C   LIG    1        0.687   0.636  -0.378  0.00  0.00    +0.327 C 
ATOM     13  O   LIG    1        0.821  -0.273  -1.188  0.00  0.00    -0.249 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -0.486   1.236  -0.041  0.00  0.00    -0.463 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -1.669   0.725  -0.687  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.226  -0.451   0.111  0.00  0.00    +0.041 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.438  -1.119  -0.542  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.669  -0.212  -0.604  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.884  -0.883  -1.254  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.415  -2.135  -0.548  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.778  -1.960   0.930  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.871  -0.914   1.164  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.305  -0.407   3.599  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -8.365  -0.872   2.612  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH  10  25
ATOM     25  C   LIG    1        3.551   0.556  -2.171  0.00  0.00    +0.301 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.773   0.764  -2.874  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.544   1.844  -2.547  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        5.241   2.828  -1.606  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        6.142   3.871  -1.368  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.345   3.936  -2.069  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.648   2.961  -3.014  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.750   1.921  -3.251  0.00  0.00    +0.045 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 15