REMARK  Name = BDB050444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.475  -0.267  -0.673  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.250  -0.351   0.017  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.264  -1.584   0.449  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1        1.473  -1.692   1.191  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        2.017  -2.943   1.465  0.00  0.00    +0.263 C 
ATOM      6  C   LIG    1        1.330  -4.130   0.759  0.00  0.00    +0.181 C 
ATOM      7  O   LIG    1       -0.071  -4.000   0.528  0.00  0.00    -0.475 OA
ATOM      8  C   LIG    1        2.029  -4.361  -0.591  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        1.496  -5.386   1.624  0.00  0.00    +0.065 C 
ATOM     10  O   LIG    1        3.040  -3.086   2.139  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1       -0.466  -2.743   0.159  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1       -1.687  -2.676  -0.512  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.186  -1.445  -0.931  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.870   1.802  -0.321  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -1.996   1.036  -1.117  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -1.629   1.573  -2.370  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1       -0.678   0.861  -3.294  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -2.148   2.815  -2.756  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -3.016   3.482  -1.912  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1       -3.379   3.002  -0.717  0.00  0.00    -0.237 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -3.540   4.723  -2.267  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -4.011   4.682  -3.163  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -4.173   4.993  -1.518  0.00  0.00    +0.144 HD
ENDBRANCH  19  21
BRANCH  14  25
ATOM     24  C   LIG    1       -4.694   0.664   0.975  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.338   1.349   1.042  0.00  0.00    +0.053 C 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   4  26
ATOM     26  C   LIG    1        2.170  -0.511   1.696  0.00  0.00    +0.132 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.265  -0.036   0.733  0.00  0.00    +0.127 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.889   1.196   1.162  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1        4.769   1.187   1.660  0.00  0.00    +0.152 HD
ATOM     30  C   LIG    1        3.271   2.402   1.034  0.00  0.00    +0.400 C 
ATOM     31  O   LIG    1        2.172   2.573   0.529  0.00  0.00    -0.226 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.058   3.366   1.566  0.00  0.00    -0.454 OA
ATOM     33  C   LIG    1        3.496   4.677   1.488  0.00  0.00    +0.282 C 
ENDBRANCH  30  32
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7