REMARK  Name = BDB061548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.069   1.108  -0.837  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1        0.085   2.429  -1.224  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1        1.318   2.751  -1.766  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        2.299   1.840  -1.958  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        2.055   0.587  -1.567  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1        0.904   0.182  -1.019  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -2.981   0.591   1.530  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -3.596  -0.534   0.972  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1       -3.086  -1.109  -0.200  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -1.935  -0.559  -0.777  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -1.288   0.560  -0.212  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.818   1.113   0.965  0.00  0.00    +0.059 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.566   2.007   2.394  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.442   1.174   2.683  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1       -4.734  -1.046   1.547  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -4.381  -2.002   2.546  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
BRANCH   9  17
ATOM     17  O   LIG    1       -3.766  -2.196  -0.684  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -3.317  -2.765  -1.904  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1       -0.970   3.384  -1.104  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -1.841   4.147  -1.014  0.00  0.00    -0.191 NA
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  S   LIG    1        1.743   4.400  -2.309  0.00  0.00    -0.042 S 
BRANCH  21  22
ATOM     22  C   LIG    1        2.087   5.104  -0.740  0.00  0.00    +0.141 A 
ATOM     23  S   LIG    1        2.863   6.628  -0.585  0.00  0.00    -0.069 S 
ATOM     24  C   LIG    1        2.751   6.497   1.120  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        2.124   5.317   1.454  0.00  0.00    +0.120 A 
ATOM     26  N   LIG    1        1.741   4.523   0.391  0.00  0.00    -0.241 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  27
ATOM     27  S   LIG    1        3.344  -0.597  -1.839  0.00  0.00    -0.081 S 
BRANCH  27  28
ATOM     28  C   LIG    1        2.761  -1.944  -0.772  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.714  -3.112  -0.789  0.00  0.00    -0.034 A 
ATOM     30  C   LIG    1        4.716  -3.233   0.176  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        5.571  -4.323   0.114  0.00  0.00    +0.111 A 
ATOM     32  N   LIG    1        5.497  -5.284  -0.830  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        4.535  -5.139  -1.765  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        3.634  -4.087  -1.789  0.00  0.00    +0.024 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 10