REMARK  Name = BDB002525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.746  -3.159   1.320  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.147  -2.147   0.641  0.00  0.00    +0.047 C 
ATOM      3  N   LIG    1       -1.313  -2.694   0.150  0.00  0.00    -0.260 NA
ATOM      4  C   LIG    1       -2.275  -1.899  -0.199  0.00  0.00    +0.031 C 
ATOM      5  C   LIG    1       -2.203  -0.395  -0.204  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.046   0.100   0.954  0.00  0.00    +0.143 C 
ATOM      7  C   LIG    1       -4.081  -0.879   1.500  0.00  0.00    +0.081 C 
ATOM      8  C   LIG    1       -4.712  -1.777   0.398  0.00  0.00    -0.023 C 
ATOM      9  C   LIG    1       -5.640  -0.927  -0.493  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1       -5.576  -2.850   1.090  0.00  0.00    +0.011 C 
ATOM     11  O   LIG    1       -2.930   1.232   1.419  0.00  0.00    -0.297 OA
ATOM     12  C   LIG    1       -0.758   0.111  -0.204  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -3.640  -2.484  -0.485  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        0.159  -0.840   0.517  0.00  0.00    +0.047 C 
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1       -0.309   0.349  -1.625  0.00  0.00    +0.114 A 
ATOM     16  O   LIG    1        0.171   1.595  -1.901  0.00  0.00    -0.464 OA
ATOM     17  C   LIG    1        0.543   1.603  -3.210  0.00  0.00    +0.102 A 
ATOM     18  C   LIG    1        1.079   2.878  -3.728  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.327   0.364  -3.772  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1       -0.216  -0.449  -2.748  0.00  0.00    +0.045 A 
ENDBRANCH  12  15
BRANCH  14  21
ATOM     21  C   LIG    1        1.357  -0.272   1.206  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1        2.165   0.473   0.376  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1        1.884   0.564  -0.593  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.525  -0.493   2.399  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.358   1.144   0.713  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        4.004   1.848  -0.311  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.194   2.540  -0.065  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.766   2.531   1.210  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        7.023   3.300   1.487  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        5.113   1.842   2.236  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.921   1.149   1.989  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH  14  21
TORSDOF 3