REMARK  Name = BDB063808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.342  -0.022  -0.978  0.00  0.00    +0.032 A 
ATOM      2  N   LIG    1       -1.504  -1.342  -1.409  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1       -0.551  -2.324  -1.226  0.00  0.00    +0.137 A 
ATOM      4  N   LIG    1       -0.841  -3.536  -1.632  0.00  0.00    -0.265 NA
ATOM      5  C   LIG    1       -2.197  -3.388  -2.232  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1        0.729  -1.976  -0.579  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.894  -0.651  -0.160  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        2.097  -0.280   0.463  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        3.147  -1.195   0.662  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.919  -2.522   0.246  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        1.730  -2.917  -0.374  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -2.709  -1.983  -1.881  0.00  0.00    +0.147 C 
ATOM     13  C   LIG    1       -0.184   0.330  -0.370  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   9  14
ATOM     14  N   LIG    1        4.352  -0.860   1.285  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1        5.601  -1.269   0.596  0.00  0.00    +0.120 C 
ATOM     16  C   LIG    1        6.091  -0.156  -0.361  0.00  0.00    +0.103 C 
ATOM     17  N   LIG    1        6.297   1.138   0.331  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        6.712   2.170  -0.617  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        5.048   1.532   1.023  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        4.522   0.433   1.979  0.00  0.00    +0.120 C 
ENDBRANCH   9  14
BRANCH   1  21
ATOM     21  C   LIG    1       -2.450   0.962  -1.210  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -2.835   1.268  -2.652  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.074   2.288  -1.873  0.00  0.00    +0.019 C 
BRANCH  21  27
ATOM     24  C   LIG    1       -5.459   1.137   1.957  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1       -5.753   0.520   0.745  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.786   0.465  -0.269  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.504   1.017  -0.107  0.00  0.00    -0.035 A 
ATOM     28  C   LIG    1       -3.236   1.638   1.125  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.196   1.697   2.140  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -7.592   0.676   2.897  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -6.303   1.263   3.025  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 4