REMARK  Name = BDB008386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.540   1.463   0.019  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -0.852   1.615  -0.066  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1       -1.362   2.778  -0.640  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.495   3.789  -1.098  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.903   3.644  -0.977  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1        1.763   4.592  -1.390  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        1.253   5.714  -1.943  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -0.099   5.947  -2.107  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -0.985   4.968  -1.677  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        1.397   2.481  -0.409  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -1.648   0.570   0.448  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -1.118  -0.178   0.896  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -3.021   0.446   0.434  0.00  0.00    +0.251 C 
ATOM     14  O   LIG    1       -3.798   1.242  -0.084  0.00  0.00    -0.270 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.530  -0.762   1.095  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1       -2.783  -1.766   1.805  0.00  0.00    +0.093 A 
ATOM     17  C   LIG    1       -3.595  -2.776   2.314  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -3.010  -3.811   3.028  0.00  0.00    +0.129 A 
ATOM     19  N   LIG    1       -1.676  -3.813   3.219  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1       -0.970  -2.799   2.700  0.00  0.00    +0.221 A 
ATOM     21  S   LIG    1       -5.241  -2.514   1.931  0.00  0.00    -0.093 S 
ATOM     22  N   LIG    1       -1.434  -1.766   1.986  0.00  0.00    -0.234 NA
ATOM     23  C   LIG    1       -4.882  -1.067   1.104  0.00  0.00    +0.061 A 
ENDBRANCH  13  15
ENDBRANCH   2  11
BRANCH   1  24
ATOM     24  O   LIG    1        1.022   0.312   0.597  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.982  -0.401  -0.217  0.00  0.00    +0.173 C 
ATOM     26  C   LIG    1        3.233  -0.571   0.634  0.00  0.00    +0.052 C 
BRANCH  25  27
ATOM     27  C   LIG    1        1.317  -1.730  -0.614  0.00  0.00    +0.075 C 
BRANCH  27  29
ATOM     28  C   LIG    1        2.971  -3.677  -0.678  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1        2.131  -2.694  -1.483  0.00  0.00    +0.115 C 
BRANCH  29  30
ATOM     30  O   LIG    1        2.962  -1.970  -2.379  0.00  0.00    -0.392 OA
ATOM     31  H   LIG    1        3.397  -2.613  -2.966  0.00  0.00    +0.210 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7