REMARK  Name = BDB015527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272   0.284   0.116  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.048   1.399  -0.582  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.241   1.705  -0.772  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.279   1.008  -0.287  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.999  -0.103   0.423  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.296  -0.495   0.682  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.175  -0.846   0.942  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.163  -2.192   0.990  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.242  -2.926   1.457  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.131  -4.377   1.477  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.421  -2.330   1.902  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.387  -2.952   2.339  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.467  -0.836   1.818  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.736  -0.173   2.249  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.395  -0.170   1.360  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.661   0.062   0.304  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.131   0.838  -0.170  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.257  -1.390  -0.323  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.365  -2.471   0.039  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.614  -1.141  -1.701  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.755  -1.597   0.634  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.775  -0.488   0.400  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.855  -1.864   0.939  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.027  -0.632   1.268  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -0.461   2.887  -1.458  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.651   3.212  -2.001  0.00  0.00    +0.169 A 
ATOM     27  C   LIG    1       -1.909   4.469  -2.491  0.00  0.00    +0.154 A 
ATOM     28  N   LIG    1       -3.184   4.425  -2.973  0.00  0.00    -0.271 N 
ATOM     29  C   LIG    1       -3.919   5.503  -3.588  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -3.769   3.219  -2.840  0.00  0.00    -0.176 NA
ATOM     31  C   LIG    1       -2.825   2.474  -2.252  0.00  0.00    +0.180 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8