REMARK  Name = BDB012613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.579  -0.344  -0.333  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.299   0.332  -1.505  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.009   0.179  -1.698  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.561  -0.554  -0.697  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        0.427  -0.911   0.174  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.252   0.078   0.253  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        3.988   0.196  -0.332  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.904  -0.439   0.264  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.018  -1.167   1.404  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.243  -1.256   1.959  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.376  -0.658   1.432  0.00  0.00    +0.030 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.693   0.317  -0.447  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        6.384   0.741  -0.369  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1        6.269   1.938  -1.035  0.00  0.00    -0.128 NA
ATOM     15  N   LIG    1        7.464   2.275  -1.502  0.00  0.00    -0.067 NA
ATOM     16  N   LIG    1        8.317   1.302  -1.153  0.00  0.00    -0.247 N 
ATOM     17  H   LIG    1        9.288   1.379  -1.436  0.00  0.00    +0.191 HD
BRANCH  12  19
ATOM     18  N   LIG    1        8.897  -1.780   0.419  0.00  0.00    -0.189 NA
ATOM     19  C   LIG    1        8.340  -0.844   0.024  0.00  0.00    +0.121 C 
ENDBRANCH  12  19
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  20
ATOM     20  C   LIG    1       -1.962  -0.921  -0.606  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.886   0.246  -0.184  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1       -4.367  -0.130  -0.253  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1       -5.260   0.194   0.789  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1       -6.613  -0.175   0.693  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.098  -0.816  -0.443  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.238  -1.089  -1.499  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.805   0.909   2.036  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -3.513   1.682   1.813  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.889  -0.742  -1.409  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.465   0.759   1.212  0.00  0.00    +0.010 C 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5