REMARK  Name = BDB004763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.740   0.933   0.115  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.976   0.787  -0.552  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.060   1.532  -0.046  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.307   1.387  -0.691  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.463   0.540  -1.805  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.387  -0.176  -2.303  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.888   2.350   1.017  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.665   2.431   1.554  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.153  -0.051  -1.681  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.585   1.764   1.157  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.544   2.110  -0.255  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.612   1.968  -0.842  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.468   2.942   0.822  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.586   3.087   1.305  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.292   3.448   1.111  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.377   0.202  -0.346  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.114  -0.788  -0.330  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.616   0.310   0.452  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.854   0.102  -0.426  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.774  -0.063  -1.820  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.924  -0.233  -2.595  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.179  -0.227  -1.994  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.286  -0.038  -0.619  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.136   0.133   0.156  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.518  -0.707   1.649  0.00  0.00    +0.110 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -1.824  -2.892   0.590  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -0.892  -2.023   1.316  0.00  0.00    -0.306 NA
ATOM     28  C   LIG    1       -0.473  -2.691   2.553  0.00  0.00    +0.104 C 
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6