REMARK  Name = BDB041260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.319  -0.430   1.394  0.00  0.00    +0.189 C 
ATOM      2  C   LIG    1        1.597   0.535   0.435  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        0.193   0.097   0.408  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1       -0.057  -0.504   1.718  0.00  0.00    +0.088 C 
ATOM      5  C   LIG    1        1.200  -1.327   1.923  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        3.284  -1.253   0.742  0.00  0.00    -0.486 OA
BRANCH   6  10
ATOM      7  C   LIG    1        7.062   0.015  -0.233  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        6.673  -1.256  -0.525  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1        5.409  -1.585  -0.165  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        4.511  -0.726   0.467  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        4.947   0.566   0.746  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        6.243   0.947   0.392  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1       10.486  -0.431  -1.770  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        9.178  -0.629  -1.208  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.665  -1.489  -1.386  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        8.457   0.394  -0.630  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.887   1.528  -0.452  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1       -0.726   1.182   0.064  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.136   0.702  -0.167  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -3.205   1.165   0.609  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.484   0.693   0.340  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.662  -0.221  -0.694  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -6.005  -0.713  -0.974  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -7.086  -0.305  -0.279  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -6.862   0.672   0.859  0.00  0.00    +0.253 A 
ATOM     26  O   LIG    1       -7.790   1.060   1.564  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1       -3.657  -0.687  -1.463  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -5.585   1.116   1.087  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1       -5.477   1.770   1.850  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -2.419  -0.217  -1.179  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -8.452  -0.808  -0.549  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -9.506   0.161  -1.028  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.976  -0.885  -1.962  0.00  0.00    +0.009 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6