REMARK  Name = BDB055565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.321  -0.102  -0.911  0.00  0.00    -0.251 N 
ATOM      2  C   LIG    1       -0.219   0.130  -1.700  0.00  0.00    +0.143 C 
ATOM      3  S   LIG    1       -0.070   1.365  -2.817  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1        0.750  -0.842  -1.408  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        0.214  -1.894  -0.507  0.00  0.00    +0.164 C 
ATOM      6  C   LIG    1       -1.130  -1.205  -0.114  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.914  -1.590   0.750  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.185  -3.195  -1.253  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -0.716  -4.282  -0.525  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.109  -5.461  -1.162  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.995  -5.577  -2.543  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -0.498  -4.511  -3.288  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -0.105  -3.330  -2.652  0.00  0.00    +0.006 A 
ENDBRANCH   5   8
BRANCH   5  14
ATOM     14  C   LIG    1        1.136  -2.103   0.711  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1        1.114  -1.216   1.806  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        1.974  -1.388   2.894  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        2.883  -2.441   2.908  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.940  -3.320   1.831  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.082  -3.149   0.741  0.00  0.00    +0.006 A 
ENDBRANCH   5  14
BRANCH   1  20
ATOM     20  C   LIG    1       -2.521   0.722  -0.784  0.00  0.00    +0.115 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.355   1.782   0.309  0.00  0.00    +0.019 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.537   2.751   0.399  0.00  0.00    +0.002 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.840   2.079   0.841  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.958   3.109   1.022  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.918   1.531   0.600  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -7.257   2.506   1.561  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   4  27
ATOM     27  C   LIG    1        2.116  -0.903  -1.958  0.00  0.00    +0.108 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.218  -0.262  -1.101  0.00  0.00    +0.019 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.988   1.206  -0.744  0.00  0.00    +0.002 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.057   1.779   0.194  0.00  0.00    +0.000 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.442   1.881  -0.450  0.00  0.00    -0.000 C 
BRANCH  31  32
ATOM     32  C   LIG    1        6.503   2.465   0.488  0.00  0.00    -0.003 C 
ATOM     33  C   LIG    1        6.268   3.925   0.841  0.00  0.00    +0.004 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 14