REMARK  Name = BDB064699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.250   0.962   1.675  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -3.958  -0.099   1.171  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -4.857   0.460   0.276  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -5.711  -0.429  -0.397  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -5.595  -1.753  -0.148  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -4.678  -2.155   0.758  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -4.715   1.831   0.226  0.00  0.00    -0.217 NA
ATOM      8  N   LIG    1       -3.819  -1.401   1.472  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1       -3.756   2.092   1.086  0.00  0.00    +0.168 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1       -6.662  -0.018  -1.323  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -6.468   0.894  -1.722  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -6.917  -0.763  -1.957  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   9  13
ATOM     13  S   LIG    1       -3.197   3.691   1.431  0.00  0.00    -0.105 S 
ATOM     14  H   LIG    1       -4.044   4.326   0.608  0.00  0.00    +0.110 HD
ENDBRANCH   9  13
BRANCH   1  15
ATOM     15  C   LIG    1       -2.192   0.861   2.664  0.00  0.00    +0.167 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.796   0.935   2.047  0.00  0.00    +0.250 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.544  -0.271   1.326  0.00  0.00    -0.490 OA
BRANCH  17  21
ATOM     18  C   LIG    1        3.001  -0.816  -0.814  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.853   0.343  -0.055  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        1.678   0.568   0.679  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        0.644  -0.366   0.659  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        0.797  -1.530  -0.094  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        1.967  -1.754  -0.823  0.00  0.00    +0.049 A 
BRANCH  18  24
ATOM     24  O   LIG    1        4.086  -1.163  -1.566  0.00  0.00    -0.489 OA
BRANCH  24  26
ATOM     25  C   LIG    1        5.762  -0.529  -3.123  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.133  -0.209  -1.769  0.00  0.00    +0.167 C 
ATOM     27  C   LIG    1        6.178  -0.343  -0.665  0.00  0.00    +0.051 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8