REMARK  Name = BDB057017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -0.744  -2.826  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -1.405  -0.300  -1.492  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -0.487   0.345  -0.679  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.847   0.771   0.510  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -2.220   0.551   0.940  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -3.107  -0.091   0.113  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -4.303  -0.144   0.795  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -4.047   0.480   2.004  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -2.747   0.912   2.091  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -2.683  -0.523  -1.129  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.664  -0.750   0.363  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.802  -0.745   1.137  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.766  -1.370   0.399  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.733  -1.549   0.650  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.332  -1.782  -0.802  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -6.050  -1.403  -0.822  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.016   1.421   1.374  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -0.439   1.685   2.246  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.325   1.744   1.236  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        2.181   2.582   2.469  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.635   2.651   1.683  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        3.517   2.039   0.501  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        2.212   1.517   0.203  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        4.707   1.979  -0.403  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.223   0.564  -0.324  0.00  0.00    +0.047 A 
ATOM     26  N   LIG    1        4.967  -0.248  -1.384  0.00  0.00    -0.260 NA
ATOM     27  C   LIG    1        5.427  -1.517  -1.321  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.141  -2.028  -0.251  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.401  -1.188   0.824  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.940   0.125   0.791  0.00  0.00    +0.024 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5