REMARK  Name = BDB036813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.978  -0.732  -0.099  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        2.141   0.015  -0.040  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1        2.068   1.026  -0.076  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        1.007  -1.931  -0.370  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.417  -0.553  -0.449  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        4.397   0.598  -0.693  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        4.029   1.764  -0.840  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        5.725   0.256  -0.753  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        6.366   1.025  -0.898  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        6.290  -0.865  -0.199  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        7.501  -0.932  -0.011  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.352  -2.002   0.132  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        4.003  -1.485   0.607  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1       -2.447   2.756   1.320  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -1.779   1.558   0.754  0.00  0.00    +0.043 A 
ATOM     16  N   LIG    1       -2.396   0.415   0.251  0.00  0.00    -0.236 N 
ATOM     17  N   LIG    1       -1.468  -0.534  -0.043  0.00  0.00    -0.161 NA
ATOM     18  C   LIG    1       -0.266   0.019   0.165  0.00  0.00    +0.148 A 
ATOM     19  C   LIG    1       -0.419   1.330   0.665  0.00  0.00    +0.057 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.777   0.110   0.018  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -4.790   1.074   0.059  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -6.123   0.714  -0.178  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.458  -0.607  -0.465  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.460  -1.573  -0.525  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.129  -1.218  -0.290  0.00  0.00    +0.028 A 
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 3