REMARK  Name = BDB064292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.197   1.285   1.338  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1        0.248   2.642   1.344  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -0.402   3.558   2.248  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1        1.143   3.042   0.394  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        1.491   4.164   0.077  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.610   1.746  -0.173  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.474   1.685  -1.194  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.993   0.710   0.487  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.959   0.464  -1.861  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.156  -0.743  -1.172  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.632  -1.863  -1.877  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.934  -1.805  -3.239  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        4.395  -2.986  -3.798  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        4.437  -3.918  -2.874  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.757  -0.584  -3.916  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.942  -3.458  -1.302  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.277   0.535  -3.222  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.601   0.571   2.190  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.095  -0.287   2.409  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.947   0.131   1.749  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.881   1.333   1.499  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.112   1.957   1.050  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -4.224   0.877   1.312  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -1.893  -0.793   0.508  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.074  -2.092   0.668  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -1.635  -3.003   1.761  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -1.038  -2.845  -0.665  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7