REMARK  Name = BDB012607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.187  -0.595  -0.100  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.125  -0.365   0.213  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.730  -0.035  -0.986  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.804  -0.085  -2.008  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.333  -0.424  -1.445  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.132   0.323  -1.167  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.401   1.223  -2.143  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.688   1.576  -2.328  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.736   1.075  -1.579  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.459   0.144  -0.576  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.128  -0.235  -0.368  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.548  -0.400   0.215  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        7.844   0.045   0.133  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        8.584  -0.660   0.977  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        7.773  -1.540   1.580  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.167  -2.176   2.263  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.488  -1.417   1.141  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.236  -0.969   0.830  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.915   0.235   1.484  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.114   0.487   0.221  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -2.835   0.984   0.543  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1       -2.388   2.180  -0.043  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.203   2.881  -0.929  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.470   2.397  -1.234  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.925   1.206  -0.661  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -4.456  -0.693   0.827  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -6.817  -0.808   1.373  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -5.692  -1.320   0.490  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7