REMARK  Name = BDB049661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.678  -0.641   0.415  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.278   0.591   0.111  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.647   0.599   0.290  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.084  -0.308   0.219  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.636   1.553  -0.297  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.478  -0.184  -0.704  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.600  -0.973  -1.583  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.125  -0.641  -1.358  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.753  -0.858   0.114  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.691  -0.058   1.020  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.152  -0.396   0.713  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.890  -0.480  -1.003  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.900   0.477  -0.350  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        6.732   2.845  -0.124  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        5.666   1.942  -0.725  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -3.514   1.707   0.226  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -4.889   1.443   0.174  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -5.815   2.493   0.125  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -5.368   3.816   0.134  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -4.002   4.085   0.195  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -3.080   3.034   0.245  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -7.218   2.208   0.070  0.00  0.00    +0.099 C 
ATOM     23  N   LIG    1       -8.353   1.969   0.029  0.00  0.00    -0.191 NA
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.271  -1.546   1.409  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.288  -2.508   0.836  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.109  -3.114  -0.416  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.062  -4.001  -0.919  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.199  -4.303  -0.173  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.382  -3.723   1.080  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.430  -2.836   1.584  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8