REMARK  Name = BDB003931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.682   0.032  -2.274  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -4.402   0.117   0.118  0.00  0.00    -0.240 N 
ATOM      3  N   LIG    1       -3.334  -0.076   0.914  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -2.261  -0.120   0.138  0.00  0.00    -0.134 NA
ATOM      5  C   LIG    1       -2.664   0.050  -1.160  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1       -4.031   0.218  -1.190  0.00  0.00    +0.134 A 
BRANCH   2  13
ATOM      7  O   LIG    1       -9.025  -1.147   3.130  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -8.117  -0.585   2.521  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -6.966  -1.273   2.231  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -7.117  -2.251   2.458  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -6.255  -1.140   1.060  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -6.111  -2.124   0.334  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1       -5.740   0.249   0.684  0.00  0.00    +0.195 C 
ATOM     14  C   LIG    1       -5.740   1.237   1.860  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -7.129   1.750   2.244  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -8.288   0.806   1.959  0.00  0.00    +0.096 C 
ENDBRANCH   2  13
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.340  -1.396  -2.711  0.00  0.00    +0.006 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.293  -1.446  -3.828  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.141  -1.701  -3.349  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.709  -0.600  -2.456  0.00  0.00    +0.001 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.188  -0.842  -2.148  0.00  0.00    +0.011 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.755   0.255  -1.256  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.215   0.006  -0.980  0.00  0.00    +0.307 C 
ATOM     24  O   LIG    1        6.120   0.367  -1.720  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.362  -0.697   0.174  0.00  0.00    -0.460 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.711  -0.974   0.565  0.00  0.00    +0.267 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.176   0.071   1.546  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        6.819  -0.013   2.899  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        7.236   0.965   3.802  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.006   2.040   3.361  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.356   2.141   2.016  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.940   1.163   1.111  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12