REMARK  Name = BDB063491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.600  -2.329  -0.086  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.802  -2.291   0.084  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.491  -3.500   0.238  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.956  -3.502   0.371  0.00  0.00    +0.273 A 
ATOM      5  N   LIG    1       -3.565  -2.279   0.321  0.00  0.00    -0.242 N 
ATOM      6  H   LIG    1       -4.576  -2.253   0.411  0.00  0.00    +0.192 HD
ATOM      7  N   LIG    1       -2.941  -1.085   0.213  0.00  0.00    -0.175 NA
ATOM      8  O   LIG    1       -3.584  -4.546   0.511  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -0.814  -4.727   0.256  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.567  -4.756   0.117  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -1.643  -1.047   0.111  0.00  0.00    +0.077 A 
ATOM     12  C   LIG    1        1.269  -3.563  -0.053  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        1.258  -1.145  -0.267  0.00  0.00    -0.485 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.618  -1.164  -0.691  0.00  0.00    +0.284 C 
BRANCH  14  20
ATOM     15  C   LIG    1        2.814   1.242   1.268  0.00  0.00    +0.152 C 
ATOM     16  N   LIG    1        3.037   1.303  -0.159  0.00  0.00    -0.309 N 
ATOM     17  C   LIG    1        3.344   2.416  -0.905  0.00  0.00    +0.291 A 
ATOM     18  N   LIG    1        3.454   2.138  -2.189  0.00  0.00    -0.215 NA
ATOM     19  C   LIG    1        3.204   0.798  -2.286  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        2.945   0.243  -1.048  0.00  0.00    +0.077 A 
BRANCH  17  21
ATOM     21  N   LIG    1        3.539   3.743  -0.374  0.00  0.00    +0.093 N 
ATOM     22  O   LIG    1        3.678   3.854   0.853  0.00  0.00    -0.123 OA
ATOM     23  O   LIG    1        3.562   4.681  -1.180  0.00  0.00    -0.123 OA
ENDBRANCH  17  21
ENDBRANCH  14  20
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH  11  24
ATOM     24  C   LIG    1       -0.974   0.324   0.024  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.881   1.521   0.208  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -2.288   1.915   1.491  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.115   3.025   1.662  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.546   3.751   0.553  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.155   3.364  -0.727  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.328   2.253  -0.900  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 6