REMARK  Name = BDB024536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.457  -0.013  -1.308  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.573  -0.771  -0.521  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.037  -2.115  -0.115  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.150  -2.027   0.943  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.941  -3.044   0.429  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.646  -2.845  -0.329  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.236  -1.413  -0.143  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.898  -1.042   0.101  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.208  -1.833   0.204  0.00  0.00    -0.231 NA
ATOM     10  C   LIG    1       -1.246  -1.037   0.413  0.00  0.00    +0.118 A 
ATOM     11  N   LIG    1       -0.822   0.282   0.507  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.553   0.288   0.269  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.508   1.309   0.191  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.834   0.937  -0.065  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.214  -0.399  -0.250  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.621  -0.343  -1.530  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.548   1.524   0.761  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.071   2.188  -0.524  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.305   3.050  -0.267  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -3.144   3.803   0.972  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -3.901   4.479   1.076  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.083   2.944   2.156  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -2.595   1.518   1.873  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        5.783   1.832  -2.727  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        4.903   1.095  -1.878  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.639  -1.636   0.504  0.00  0.00    +0.082 C 
ATOM     27  C   LIG    1       -3.039  -1.906   1.960  0.00  0.00    +0.020 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.686  -1.038  -0.426  0.00  0.00    -0.037 A 
ATOM     29  C   LIG    1       -4.957  -0.633   0.010  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.902  -0.137  -0.893  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.600  -0.054  -2.249  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.357  -0.477  -2.708  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.413  -0.973  -1.806  0.00  0.00    +0.004 A 
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 4