REMARK  Name = BDB022137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.904  -1.546  -0.863  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1        0.247  -1.549  -0.082  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1        1.104  -0.601  -0.640  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1        0.563  -0.062  -1.779  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.624  -0.649  -1.904  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.419  -0.184  -0.197  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.032   0.797  -0.891  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        4.257   1.193  -0.484  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1        4.927   0.599   0.572  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        6.299   0.965   1.032  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        4.213  -0.388   1.220  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        2.981  -0.797   0.863  0.00  0.00    -0.219 NA
BRANCH   8  13
ATOM     13  C   LIG    1        4.794   2.279  -1.311  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        5.299   3.761  -0.609  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        5.710   4.425  -2.130  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.440   3.555  -3.162  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.897   2.325  -2.690  0.00  0.00    +0.017 A 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  N   LIG    1       -2.743  -2.361   0.524  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1       -2.094  -2.365  -0.717  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1       -2.467  -3.076  -1.648  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -3.820  -3.320   0.693  0.00  0.00    +0.132 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -2.804  -1.149   1.360  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.941  -0.176   0.972  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.728   0.418  -0.367  0.00  0.00    -0.301 NA
BRANCH  24  26
ATOM     25  C   LIG    1       -2.107   2.156   0.470  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -3.394   1.853  -0.295  0.00  0.00    +0.081 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -4.898   0.171  -1.229  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -4.649   0.470  -2.704  0.00  0.00    +0.020 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH   2  29
ATOM     29  C   LIG    1        0.576  -2.379   1.101  0.00  0.00    +0.215 C 
BRANCH  29  30
ATOM     30  O   LIG    1        0.368  -1.556   2.244  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        0.772  -2.213   3.435  0.00  0.00    +0.194 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 10