REMARK  Name = BDB041486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358   0.541  -0.842  0.00  0.00    +0.282 C 
ATOM      2  N   LIG    1        0.123   0.759  -2.142  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.163   0.163  -2.907  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.268   0.857   0.154  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.199  -1.286   0.582  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -4.127  -1.401  -0.449  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.795  -0.825  -1.680  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.573  -0.175  -1.841  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.703  -0.129  -0.759  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -1.998  -0.689   0.444  0.00  0.00    -0.208 NA
BRANCH   5  11
ATOM     11  O   LIG    1       -3.541  -1.821   1.804  0.00  0.00    -0.476 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -3.063  -0.093   3.452  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -2.681  -1.458   2.894  0.00  0.00    +0.227 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   6  14
ATOM     14  C   LIG    1       -5.463  -2.061  -0.247  0.00  0.00    +0.184 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -6.517  -1.070  -0.096  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1       -7.236  -0.674  -1.169  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -8.091   0.219  -0.661  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -7.931   0.390   0.726  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -6.906  -0.462   1.066  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1        1.606   1.462  -2.477  0.00  0.00    +0.096 S 
ATOM     21  O   LIG    1        1.508   2.850  -2.065  0.00  0.00    -0.148 OA
ATOM     22  O   LIG    1        1.861   1.131  -3.870  0.00  0.00    -0.148 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.810   0.588  -1.486  0.00  0.00    +0.239 A 
ATOM     24  C   LIG    1        2.818  -0.804  -1.423  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1        3.820  -1.369  -0.636  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        4.746  -0.549   0.025  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        4.682   0.840  -0.120  0.00  0.00    +0.049 A 
ATOM     28  N   LIG    1        3.713   1.410  -0.874  0.00  0.00    -0.228 NA
BRANCH  27  29
ATOM     29  C   LIG    1        5.637   1.794   0.609  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        7.015   1.164   0.910  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        4.974   2.208   1.935  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        5.887   3.060  -0.242  0.00  0.00    +0.017 C 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        1.867  -1.508  -2.103  0.00  0.00    -0.492 OA
ATOM     34  C   LIG    1        1.979  -2.927  -2.110  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 9