REMARK  Name = BDB021476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.079   2.506  -0.118  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.597   1.387  -0.131  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.146   0.258  -0.454  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.338  -1.093  -0.220  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.860  -1.224   1.200  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.254  -0.957   1.265  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.734   0.232   0.794  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        4.128   0.327   1.000  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        4.854   1.451   0.612  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        4.177   2.503   0.007  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.800   2.425  -0.205  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.055   1.288   0.175  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.583   0.426  -0.719  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.415   0.513   0.574  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.416  -0.755   1.253  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -2.967  -0.645   2.047  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.858   1.015   0.304  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.622   0.295  -0.734  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.854   1.022  -1.105  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -7.148   0.416  -0.615  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -7.281  -0.983  -0.638  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -8.494  -1.583  -0.294  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -9.573  -0.788   0.091  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -9.446   0.601   0.122  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.069  -1.773  -1.048  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -8.239   1.204  -0.238  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.834  -1.128  -0.399  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1        6.196   1.648   0.757  0.00  0.00    -0.489 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.980   0.627   1.374  0.00  0.00    +0.260 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.416  -0.444   0.374  0.00  0.00    +0.156 C 
ATOM     31  O   LIG    1        8.247  -1.428   1.019  0.00  0.00    -0.373 OA
ATOM     32  C   LIG    1        9.325  -1.761   0.130  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1        9.013  -1.119  -1.205  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1        8.228   0.101  -0.791  0.00  0.00    +0.037 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8