REMARK  Name = BDB013371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.652   0.297  -0.281  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.342   0.890  -1.089  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.703   0.657  -0.859  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.136  -0.178   0.176  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.591  -0.390   0.367  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.064  -1.329   1.453  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.549  -1.693   1.361  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.394  -0.470   1.039  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.961   0.151  -0.288  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.466   0.256  -0.434  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.991   1.144  -1.537  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.773   1.724  -2.285  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.158  -0.765   0.984  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.642   1.283  -1.683  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -2.346   1.884  -2.440  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.209  -0.535   0.760  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.399   2.091  -0.294  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.151   0.588  -0.562  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.443   0.297  -1.994  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.652   0.075  -3.115  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.113  -0.273   0.324  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.602  -0.034   0.171  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        5.275   0.839   1.040  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.645   1.063   0.900  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.360   0.416  -0.105  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.705  -0.459  -0.969  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.335  -0.686  -0.831  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4