REMARK  Name = BDB033744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.839  -0.519  -0.590  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -1.735  -1.454  -1.608  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.457  -1.810  -1.970  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        0.653  -1.306  -1.398  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.480  -0.418  -0.413  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.732  -0.015   0.004  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.072  -0.832   2.303  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -4.551   0.500   1.760  0.00  0.00    +0.003 C 
ATOM      9  C   LIG    1       -3.098   0.376   1.258  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -3.101  -0.070  -0.141  0.00  0.00    -0.314 N 
ATOM     11  C   LIG    1       -3.705   0.894  -1.088  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -4.735   1.799  -0.402  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -5.501   1.042   0.675  0.00  0.00    +0.006 C 
ENDBRANCH   1  10
BRANCH   2  14
ATOM     14  C   LIG    1       -2.851  -2.066  -2.247  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.729  -2.576  -2.810  0.00  0.00    -0.191 NA
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.552   0.165   0.255  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.194   0.796   0.957  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.942   0.028   0.177  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.592  -0.847  -0.703  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.989  -0.935  -0.741  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        5.756  -0.131   0.101  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        5.137   0.742   0.993  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.740   0.820   1.022  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        7.518  -0.263   0.076  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        8.053   0.268   1.308  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        7.892  -1.561  -0.435  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        7.932   0.842  -1.118  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        8.382   0.358  -1.895  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        8.497   1.590  -0.715  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6