REMARK  Name = BDB015676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.822  -0.773  -1.012  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.641  -0.077   0.109  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.075  -0.749   1.122  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.219  -2.055   1.121  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.041  -2.732  -0.014  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.573  -2.119  -1.130  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.288  -4.180  -0.016  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.386  -4.593   0.647  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.772  -5.925   0.690  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.979  -6.271   1.425  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.051  -6.931   0.055  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.348  -8.122   0.045  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.177  -6.488  -0.655  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.522  -5.194  -0.676  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.454  -0.081  -2.070  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.675  -0.606  -2.912  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        0.865   1.435  -2.475  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -0.558   1.477  -2.220  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.365   1.662  -3.818  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.741   2.569  -1.353  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        3.252   2.374  -1.456  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        1.900   5.051  -0.735  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        1.306   4.010  -1.671  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       -0.196  -0.081   2.309  0.00  0.00    -0.418 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.444   1.262   2.181  0.00  0.00    +0.202 A 
ATOM     26  C   LIG    1       -1.528   1.744   1.447  0.00  0.00    +0.171 A 
ATOM     27  F   LIG    1       -2.367   0.879   0.856  0.00  0.00    -0.201 F 
ATOM     28  C   LIG    1       -1.762   3.118   1.321  0.00  0.00    -0.011 A 
ATOM     29  C   LIG    1       -2.928   3.610   0.518  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -0.917   4.013   1.992  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        0.152   3.534   2.753  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        0.380   2.163   2.842  0.00  0.00    +0.168 A 
ATOM     33  F   LIG    1        1.417   1.723   3.570  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7