REMARK  Name = BDB049646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.601  -0.634   0.174  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.577   0.377   0.135  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.867  -0.080   0.314  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.012  -1.056   0.106  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.279   1.552  -0.062  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.040   0.687   0.470  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.045   2.062   0.715  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        5.253   2.767   0.878  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        6.480   2.072   0.800  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1        7.684   2.777   0.964  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        7.677   4.152   1.202  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.469   4.838   1.280  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.468   0.691   0.562  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        5.265   4.150   1.120  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.260   0.006   0.402  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1       -3.617   0.165  -0.066  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1       -3.048  -0.751  -1.077  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -1.654  -1.301  -0.754  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -0.799  -0.225  -0.086  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1       -1.484   0.300   1.185  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.983  -0.022   1.241  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -5.108   0.132  -0.060  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -5.715   1.028   1.033  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.658   0.548  -1.457  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.834   1.874  -1.560  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -7.186   0.496  -1.603  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1        0.834  -1.905   0.871  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.433  -3.006   0.020  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        1.579  -2.909  -1.372  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.143  -3.955  -2.105  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.564  -5.115  -1.459  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.421  -5.231  -0.079  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.858  -4.185   0.655  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7