REMARK  Name = BDB064013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.908  -0.950   0.282  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        1.771  -1.987  -0.581  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.961  -2.567  -0.715  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.971  -2.245  -1.159  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        3.256  -3.113  -1.958  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.845  -1.206  -0.552  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        5.133  -1.079  -0.892  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        3.112  -0.459   0.346  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        6.082  -0.083  -0.368  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        7.041   0.445  -1.247  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        7.976   1.374  -0.755  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.987   1.774   0.582  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.966   2.694   0.921  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        9.681   2.982  -0.142  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.032   1.224   1.457  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        9.243   2.188  -1.594  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.095   0.299   0.976  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.884  -0.493   1.054  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        1.180   0.211   1.724  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -3.199  -0.374   0.246  0.00  0.00    +0.218 A 
ATOM     21  N   LIG    1       -2.354  -0.584  -0.776  0.00  0.00    -0.221 NA
ATOM     22  C   LIG    1       -1.028  -0.599  -0.513  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -0.474  -0.422   0.736  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1       -1.428  -0.226   1.714  0.00  0.00    +0.139 A 
ATOM     25  N   LIG    1       -2.761  -0.194   1.501  0.00  0.00    -0.221 NA
BRANCH  20  30
ATOM     26  C   LIG    1       -8.596  -0.002  -0.312  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -7.299   0.487  -0.772  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1       -6.540  -0.599  -1.434  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1       -5.007  -0.414  -1.388  0.00  0.00    +0.123 C 
ATOM     30  N   LIG    1       -4.553  -0.376   0.002  0.00  0.00    -0.297 N 
ATOM     31  C   LIG    1       -5.461   0.200   0.996  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1       -6.523   1.103   0.325  0.00  0.00    +0.103 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4