REMARK  Name = BDB023978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.080   2.786   2.483  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.398   2.509   2.616  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.944   1.556   1.763  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.186   1.038   0.600  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.914  -0.056  -0.106  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.662  -0.719  -1.342  0.00  0.00    +0.101 A 
ATOM      7  N   LIG    1       -1.629  -1.627  -1.583  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.463  -1.566  -0.527  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.098  -0.598   0.357  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.788  -0.132   1.585  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.400   1.340   1.814  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.062   3.102   3.467  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.407  -0.461  -2.298  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        1.726   0.021  -1.946  0.00  0.00    +0.148 A 
ATOM     15  N   LIG    1        2.638   0.239  -2.979  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1        3.797   0.703  -2.409  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        3.562   0.733  -1.054  0.00  0.00    +0.090 A 
ATOM     18  C   LIG    1        2.368   0.008  -4.321  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1        1.160  -0.455  -4.667  0.00  0.00    +0.019 A 
ATOM     20  N   LIG    1        2.284   0.301  -0.782  0.00  0.00    -0.227 NA
ATOM     21  C   LIG    1        0.178  -0.686  -3.621  0.00  0.00    +0.015 A 
BRANCH  17  22
ATOM     22  C   LIG    1        4.498   1.139  -0.019  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.625   1.919  -0.304  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        6.492   2.294   0.719  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1        6.261   1.907   2.035  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        5.142   1.131   2.330  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.267   0.750   1.309  0.00  0.00    +0.010 A 
BRANCH  24  28
ATOM     28  O   LIG    1        7.573   3.056   0.385  0.00  0.00    -0.507 OA
ATOM     29  H   LIG    1        8.081   3.244   1.191  0.00  0.00    +0.292 HD
ENDBRANCH  24  28
ENDBRANCH  17  22
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.625  -2.447  -0.527  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.773  -3.277   0.758  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -5.236  -3.557   1.071  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -5.940  -3.823  -0.136  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -6.087  -2.673  -0.969  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.912  -1.703  -0.886  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 4