REMARK  Name = BDB025204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.856  -0.535   0.532  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.368  -0.016   0.155  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.302  -0.865   0.736  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        2.684  -0.635   0.562  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.715  -1.556   1.145  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1        4.832  -0.697   1.687  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        5.465   0.146   0.568  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1        6.263   1.275   1.246  0.00  0.00    +0.028 C 
ATOM      9  N   LIG    1        4.508   0.687  -0.429  0.00  0.00    -0.234 N 
ATOM     10  C   LIG    1        4.984   1.253  -1.625  0.00  0.00    +0.407 C 
ATOM     11  O   LIG    1        4.302   1.700  -2.541  0.00  0.00    -0.226 OA
ATOM     12  C   LIG    1        3.100   0.462  -0.225  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        2.128   1.299  -0.792  0.00  0.00    +0.026 A 
ATOM     14  N   LIG    1        0.680  -1.867   1.434  0.00  0.00    -0.232 NA
ATOM     15  C   LIG    1        0.754   1.082  -0.617  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -0.616  -1.669   1.290  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -3.569   2.124  -0.039  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1       -2.446   1.395   0.716  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.170  -0.015   0.162  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -2.444  -0.111  -1.344  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.904   0.210  -1.674  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.568   1.145  -0.662  0.00  0.00    +0.015 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.275   3.080   0.903  0.00  0.00    +0.310 C 
ATOM     24  O   LIG    1       -5.293   2.818   1.528  0.00  0.00    -0.251 OA
BRANCH  23  26
ATOM     25  C   LIG    1       -4.176   5.220   1.849  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1       -3.591   4.256   0.972  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH   1  19
BRANCH  10  27
ATOM     27  O   LIG    1        6.350   1.225  -1.704  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        6.889   1.775  -2.907  0.00  0.00    +0.282 C 
ENDBRANCH  10  27
BRANCH  16  29
ATOM     29  C   LIG    1       -1.672  -2.568   1.867  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.425  -3.378   0.833  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.736  -4.144  -0.120  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.434  -4.892  -1.069  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.827  -4.891  -1.071  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.524  -4.149  -0.120  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.828  -3.401   0.831  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  16  29
TORSDOF 6