REMARK  Name = BDB045353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.406  -1.153   2.568  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -0.759  -0.454   2.119  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.711  -0.678   3.107  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.010  -0.158   3.058  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.390   0.612   1.944  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.434   0.847   0.943  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.087  -1.464   4.035  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -1.476  -1.824   4.898  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.134   0.321   1.006  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        0.174  -1.793   3.724  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.777   1.203   1.836  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -5.744   0.811   0.735  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -5.476  -0.181  -0.361  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -6.083   0.296  -1.536  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -6.024  -0.388  -2.738  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -5.333  -1.600  -2.761  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.728  -2.100  -1.597  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -6.730   1.518  -1.259  0.00  0.00    -0.273 N 
ATOM     19  C   LIG    1       -7.473   2.274  -2.229  0.00  0.00    +0.138 C 
ATOM     20  C   LIG    1       -4.801  -1.394  -0.392  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -6.586   1.880   0.075  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -7.031   2.858   0.653  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -6.005   0.371   2.148  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        2.259  -0.306   1.150  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.683  -1.243   1.922  0.00  0.00    +0.031 C 
BRANCH  24  29
ATOM     26  C   LIG    1        6.117  -0.647  -0.704  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.919  -1.129   0.596  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.665  -1.029   1.209  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.582  -0.458   0.529  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        3.783   0.035  -0.765  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.035  -0.066  -1.379  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  C   LIG    1        7.468  -0.770  -1.377  0.00  0.00    +0.119 C 
BRANCH  32  34
ATOM     33  C   LIG    1        8.377   1.384  -0.720  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        8.012   0.518  -1.844  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        9.182   0.288  -2.693  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  24  29
ENDBRANCH   1  25
TORSDOF 5