REMARK  Name = BDB061035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.422  -1.796   2.627  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        1.418  -1.197   1.683  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        1.062  -1.776   0.453  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1        0.111  -1.159  -0.380  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.509   0.038  -0.006  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.144   0.618   1.211  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.793   0.004   2.049  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -1.429   0.682  -0.883  0.00  0.00    -0.273 N 
ATOM      9  C   LIG    1       -2.623   1.310  -0.496  0.00  0.00    +0.241 C 
ATOM     10  O   LIG    1       -3.255   2.026  -1.282  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.166   0.599  -2.318  0.00  0.00    +0.138 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -3.156   1.033   0.920  0.00  0.00    +0.243 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -4.594   1.288   0.979  0.00  0.00    -0.219 N 
ATOM     14  C   LIG    1       -5.461   0.349   0.426  0.00  0.00    +0.288 A 
ATOM     15  O   LIG    1       -5.073  -0.720  -0.043  0.00  0.00    -0.265 OA
ATOM     16  C   LIG    1       -6.907   0.711   0.436  0.00  0.00    +0.126 A 
ATOM     17 CL   LIG    1       -8.008  -0.428  -0.257  0.00  0.00    -0.076 Cl
ATOM     18  C   LIG    1       -7.299   1.870   0.965  0.00  0.00    +0.084 A 
ATOM     19 CL   LIG    1       -8.916   2.436   1.060  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1       -6.256   2.734   1.532  0.00  0.00    +0.154 A 
ATOM     21  N   LIG    1       -4.990   2.475   1.553  0.00  0.00    -0.175 NA
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   8
BRANCH   3  22
ATOM     22  S   LIG    1        1.767  -3.313  -0.117  0.00  0.00    +0.059 S 
ATOM     23  O   LIG    1        1.994  -4.171   1.024  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        1.022  -3.783  -1.265  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1        3.281  -2.827  -0.653  0.00  0.00    -0.190 NA
ATOM     26  H   LIG    1        4.036  -3.414  -0.304  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.400  -2.228  -1.992  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.460  -1.129  -1.996  0.00  0.00    +0.072 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.967   0.126  -1.322  0.00  0.00    +0.043 A 
ATOM     30  N   LIG    1        3.074   0.877  -2.011  0.00  0.00    -0.260 NA
ATOM     31  C   LIG    1        2.620   2.003  -1.416  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        3.014   2.421  -0.157  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        3.928   1.639   0.537  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        4.414   0.474  -0.050  0.00  0.00    +0.023 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 8