REMARK  Name = BDB012625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.032  -0.294  -0.626  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.286  -0.360  -0.267  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.973   0.277  -1.284  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.078   0.717  -2.244  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.111   0.356  -1.821  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.421   0.475  -1.369  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.875   1.107  -2.479  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.202   1.308  -2.594  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.126   0.907  -1.646  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.663   0.257  -0.502  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.286   0.041  -0.368  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.562  -0.197   0.544  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        6.141  -0.833   1.686  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.204  -1.112   2.428  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        8.280  -0.660   1.768  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        9.195  -0.785   2.186  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        7.933  -0.079   0.584  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.155  -0.829   0.118  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.790   0.227   1.020  0.00  0.00    +0.057 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.300  -0.310   1.048  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.043  -0.287   1.698  0.00  0.00    -0.038 A 
ATOM     22  C   LIG    1       -2.934  -0.791   3.007  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.047  -1.303   3.673  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.284  -1.324   3.040  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.408  -0.833   1.740  0.00  0.00    +0.009 A 
BRANCH  20  29
ATOM     26  C   LIG    1       -4.842   1.126  -2.951  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.809  -0.244  -2.700  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.641  -0.710  -1.394  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.495   0.186  -0.323  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1       -4.547   1.562  -0.593  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -4.714   2.029  -1.898  0.00  0.00    +0.001 A 
ENDBRANCH  20  29
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6