REMARK  Name = BDB014449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.937  -1.763   1.063  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        0.588  -1.779   0.772  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.303  -2.187  -0.108  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.384  -0.979   1.904  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.257  -3.426  -0.948  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1        2.826  -2.852   0.363  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        2.828  -4.021   1.379  0.00  0.00    +0.065 C 
BRANCH   6   8
ATOM      8  O   LIG    1        4.219  -2.586   0.154  0.00  0.00    -0.475 OA
BRANCH   8   9
ATOM      9  C   LIG    1        4.677  -1.300   0.005  0.00  0.00    +0.148 A 
ATOM     10  C   LIG    1        4.054  -0.268  -0.721  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.713   0.986  -0.752  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.121   2.045  -1.454  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        2.916   1.856  -2.112  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.344   0.605  -2.051  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.944   1.177  -0.104  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        6.552   0.132   0.578  0.00  0.00    +0.004 A 
ATOM     17  N   LIG    1        2.881  -0.439  -1.380  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1        5.921  -1.104   0.625  0.00  0.00    +0.048 A 
ENDBRANCH   8   9
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  C   LIG    1       -0.354  -0.846   1.387  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.237   0.587   0.836  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.896   1.258   1.412  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.609   0.592   1.530  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -1.467   1.478   1.130  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.689   1.123   0.387  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.402   2.333  -0.059  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.707   2.003  -0.745  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.554   1.074  -0.119  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.803   0.779  -0.668  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.200   1.398  -1.854  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.358   2.317  -2.484  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.066   0.473   1.169  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.116   2.626  -1.927  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.556   0.162   1.103  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8