REMARK  Name = BDB015690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.733  -0.274   0.549  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.570  -0.449   0.763  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.333   0.633   0.548  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.884   1.830   0.145  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.447   1.956  -0.040  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.316   0.910   0.176  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.940   3.287  -0.482  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.287   4.391  -0.068  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        0.685   5.671  -0.429  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.079   6.800   0.077  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.787   5.906  -1.245  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        2.199   7.013  -1.581  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.495   4.694  -1.731  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.082   3.474  -1.367  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.468  -1.456   0.826  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        0.780  -2.129   1.173  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.249  -2.132  -0.518  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        1.260  -2.923  -1.216  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.014  -1.101  -1.185  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.386  -3.236   0.312  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.170  -3.490  -1.490  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        4.113  -4.179  -0.642  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1       -2.712   0.545   0.683  0.00  0.00    -0.420 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.188  -0.581   1.316  0.00  0.00    +0.170 A 
ATOM     25  C   LIG    1       -3.892  -1.540   0.563  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.429  -2.633   1.270  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.265  -2.772   2.654  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -3.567  -1.805   3.371  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.041  -0.710   2.700  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -2.394   0.233   3.403  0.00  0.00    -0.202 F 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.097  -1.391  -0.930  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -2.916  -1.538  -1.863  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -3.992  -2.579  -1.859  0.00  0.00    +0.009 C 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8