REMARK  Name = BDB015662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.388  -0.513  -0.205  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.601  -1.513   0.196  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.624  -1.147   0.591  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.105   0.107   0.565  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.277   1.077   0.128  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -1.001   0.800  -0.300  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.821   2.461   0.110  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.146   2.635  -0.068  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.735   3.890  -0.101  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        4.172   3.974  -0.308  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.000   5.063   0.046  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        2.461   6.200   0.004  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.544   4.881   0.276  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.008   3.654   0.307  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.644  -0.999  -0.654  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -2.612  -2.012  -0.505  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -4.001  -0.387   0.148  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -4.230  -1.242   1.291  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.855   1.046   0.296  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.305  -0.683  -1.078  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1       -5.415  -2.169  -1.419  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -7.755  -0.130  -1.576  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -6.631  -0.107  -0.550  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1        1.444  -2.194   0.995  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.661  -1.825   1.523  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1        3.815  -1.891   0.720  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.028  -1.498   1.318  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        5.094  -1.093   2.657  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        3.940  -1.069   3.434  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        2.729  -1.440   2.865  0.00  0.00    +0.166 A 
ATOM     31  F   LIG    1        1.620  -1.420   3.619  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  C   LIG    1        3.767  -2.312  -0.733  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1        3.269  -3.691  -1.104  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        4.722  -3.361  -1.255  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8