REMARK  Name = BDB014515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.042   0.626  -0.371  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.054   0.371   0.430  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.041   0.417   1.438  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.949   0.753  -1.589  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.360   0.731   0.399  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.495   0.610  -0.461  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1        5.521   1.830  -0.012  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1        4.227   1.763  -0.530  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        3.703   2.854  -1.238  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.457   4.021  -1.385  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.741   4.098  -0.847  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.274   3.005  -0.164  0.00  0.00    +0.032 A 
BRANCH   7  13
ATOM     13  S   LIG    1        6.218   0.507   0.954  0.00  0.00    +0.064 S 
ATOM     14  O   LIG    1        5.154  -0.253   1.581  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        7.256   1.087   1.784  0.00  0.00    -0.153 OA
BRANCH  13  17
ATOM     16  C   LIG    1        6.105  -1.099  -1.219  0.00  0.00    +0.131 C 
ATOM     17  N   LIG    1        6.993  -0.494  -0.202  0.00  0.00    -0.183 NA
ATOM     18  C   LIG    1        7.870  -1.513   0.415  0.00  0.00    +0.131 C 
ENDBRANCH  13  17
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.402   0.329  -0.124  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.668  -0.966  -0.910  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.508  -2.105  -0.052  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.596  -2.043   0.287  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.060  -0.979  -1.581  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.208  -0.594  -0.730  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.439  -1.590   0.341  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.732  -1.384   1.105  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.776  -0.612   0.571  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.973  -0.465   1.285  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.141  -1.100   2.514  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.117  -1.886   3.038  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.581   0.109  -0.736  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.920  -2.031   2.336  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.423  -0.473  -1.553  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10