REMARK  Name = BDB007737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -0.662  -2.703  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.600  -1.795  -2.010  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.024  -2.201  -1.327  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.999  -0.044  -3.433  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.472  -0.475  -1.946  0.00  0.00    +0.119 A 
ATOM      6  N   LIG    1        3.720   0.836  -2.146  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        2.697   1.632  -2.526  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.407   1.184  -2.712  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.154  -0.167  -2.495  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.202  -1.011  -2.126  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.512  -1.352  -1.603  0.00  0.00    -0.327 N 
ATOM     12  H   LIG    1        4.242  -1.900  -0.786  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        5.815  -0.722  -1.345  0.00  0.00    +0.135 C 
BRANCH  13  17
ATOM     14  C   LIG    1        7.179   2.659   1.567  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        7.370   1.212   1.626  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1        7.239   0.583   0.292  0.00  0.00    +0.117 C 
ATOM     17  C   LIG    1        5.867  -0.085   0.058  0.00  0.00    +0.149 C 
ATOM     18  O   LIG    1        5.588  -1.124   1.030  0.00  0.00    -0.372 OA
ATOM     19  C   LIG    1        6.212  -0.888   2.301  0.00  0.00    +0.175 C 
ATOM     20  C   LIG    1        6.433   0.602   2.592  0.00  0.00    +0.112 C 
ENDBRANCH  13  17
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1       -1.933  -2.362  -2.121  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.903  -1.892  -1.020  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.979  -2.834  -0.965  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -4.516  -2.600  -0.190  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.422  -0.454  -1.275  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.383   0.130  -0.320  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.785  -0.166  -0.637  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.773   0.377   0.377  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.352   0.839   1.636  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.296   1.318   2.555  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.654   1.314   2.237  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.077   0.840   0.998  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.883   0.881   1.968  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.143   0.373   0.072  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.061  -0.070   1.089  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9