REMARK  Name = BDB057014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.858   2.193   2.438  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        2.658   1.250   1.286  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        1.392   0.693   1.194  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        1.110  -0.145   0.226  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        2.154  -0.466  -0.738  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        3.398   0.100  -0.623  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        4.147  -0.396  -1.668  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.284  -1.239  -2.349  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        2.042  -1.280  -1.767  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        3.648   0.977   0.415  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.621  -0.125  -2.063  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.536   0.690  -1.444  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        7.690   0.588  -2.172  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.579   1.050  -2.010  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.587  -0.239  -3.224  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.326  -0.674  -3.157  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1       -0.129  -0.745   0.066  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -0.137  -1.361  -0.745  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.270  -0.644   0.795  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -1.522   0.299   2.209  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -3.097  -0.137   2.458  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1       -3.481  -0.967   1.488  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -2.462  -1.297   0.531  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.875  -1.518   1.492  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.811  -0.430   1.016  0.00  0.00    +0.050 A 
ATOM     26  N   LIG    1       -6.844  -0.120   1.843  0.00  0.00    -0.224 NA
ATOM     27  C   LIG    1       -7.708   0.830   1.433  0.00  0.00    +0.213 A 
ATOM     28  F   LIG    1       -8.719   1.144   2.257  0.00  0.00    -0.184 F 
ATOM     29  C   LIG    1       -7.624   1.484   0.219  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -6.586   1.141  -0.637  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -5.672   0.169  -0.240  0.00  0.00    +0.024 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5