REMARK  Name = BDB012615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.292  -0.747   0.186  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -1.469  -1.384   0.452  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -2.430  -0.674  -0.239  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -1.846   0.374  -0.923  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.563   0.301  -0.647  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.856  -0.974  -0.257  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -4.271  -2.041   0.474  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -5.589  -2.321   0.459  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -6.527  -1.590  -0.251  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -6.094  -0.494  -1.000  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.730  -0.185  -0.998  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -7.016   0.323  -1.770  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -6.639   1.430  -2.490  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1       -7.716   1.940  -3.071  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1       -8.756   1.171  -2.727  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1       -9.675   1.409  -3.083  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1       -8.375   0.146  -1.913  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.018  -1.128   0.678  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.339  -0.533   2.050  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1        2.792   1.486   1.504  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        1.591   0.960   2.015  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1        0.595   1.836   2.476  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.794   3.214   2.441  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        1.988   3.730   1.946  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        2.986   2.870   1.480  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1        3.697   0.560   1.058  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.883   1.039   0.432  0.00  0.00    +0.264 C 
BRANCH  27  31
ATOM     28  C   LIG    1        7.039  -2.423  -0.972  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.209  -1.979   0.339  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.515  -0.857   0.792  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        5.650  -0.161  -0.065  0.00  0.00    -0.010 A 
ATOM     32  C   LIG    1        5.476  -0.625  -1.377  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        6.171  -1.748  -1.829  0.00  0.00    +0.000 A 
ENDBRANCH  27  31
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8