REMARK  Name = BDB014417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.033   1.782   3.447  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.675   1.552   1.622  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.088   1.051   2.772  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.035   0.045   2.880  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.529   2.713   1.248  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      6  C   LIG    1        2.528   0.517   0.883  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        2.946   1.009  -0.383  0.00  0.00    -0.483 OA
BRANCH   7  11
ATOM      8  C   LIG    1        5.176  -1.344  -3.003  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        4.839  -1.876  -1.754  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        4.091  -1.121  -0.841  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.677   0.169  -1.174  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        4.018   0.697  -2.422  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        4.764  -0.052  -3.336  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1        6.559  -2.753  -4.686  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        5.941  -2.120  -3.934  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.368   1.197   3.185  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.439  -0.120   3.751  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.357  -0.422   3.635  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.825   1.223   1.700  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.093   0.327   0.777  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -1.618  -1.050   0.742  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.910  -1.224  -0.029  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -3.288  -0.300  -1.020  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -4.471  -0.501  -1.744  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.262  -1.624  -1.502  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.880  -2.551  -0.535  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.458   0.936  -1.263  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -3.708  -2.355   0.196  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.074   0.860  -0.600  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 9