REMARK  Name = BDB012827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745   1.907   0.145  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.222   1.350  -0.899  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.404   0.966  -0.136  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.478   0.372  -0.783  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.427   0.129  -1.987  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.117   0.952   1.294  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.399   1.079   1.388  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.806   4.454  -0.602  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        4.136   3.113  -0.600  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        2.828   3.074  -0.255  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.195   1.878  -0.253  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.853   0.698  -0.590  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.206   0.737  -0.941  0.00  0.00    -0.006 A 
ATOM     14  C   LIG    1        4.852   1.975  -0.947  0.00  0.00    +0.032 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.904  -0.499  -1.305  0.00  0.00    +0.039 A 
ATOM     16  S   LIG    1        6.495  -0.835  -0.742  0.00  0.00    -0.072 S 
ATOM     17  C   LIG    1        6.468  -2.345  -1.560  0.00  0.00    +0.076 A 
ATOM     18  C   LIG    1        7.648  -3.248  -1.495  0.00  0.00    +0.073 C 
ATOM     19  N   LIG    1        5.360  -2.614  -2.216  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        4.472  -1.567  -2.071  0.00  0.00    +0.127 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.639   0.044   0.003  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -4.171   0.802   1.007  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1       -3.850   1.704   1.339  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.253   0.265   1.591  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -5.487  -0.845   0.878  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -4.515  -1.015  -0.136  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -6.657  -1.736   1.181  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -7.990  -1.010   0.991  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -6.565  -2.336   2.586  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4