REMARK  Name = BDB062388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.866  -1.088   0.914  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        1.433   0.099   1.463  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.033   0.056   1.471  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.664   1.158   2.010  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.041   2.261   2.503  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.430   2.282   2.471  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.369  -1.191   0.887  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        2.150   1.203   1.953  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.796  -1.876   0.584  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.256  -1.473   0.717  0.00  0.00    +0.122 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.813  -0.933  -0.600  0.00  0.00    +0.022 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.235  -1.416  -0.909  0.00  0.00    +0.013 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.289  -1.026   0.123  0.00  0.00    +0.120 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.399   0.467   0.295  0.00  0.00    +0.307 C 
ATOM     15  O   LIG    1        5.910   1.080   1.233  0.00  0.00    -0.251 OA
BRANCH  14  17
ATOM     16  C   LIG    1        7.207   2.439  -0.664  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        7.084   1.019  -0.742  0.00  0.00    -0.468 OA
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  18
ATOM     18  C   LIG    1       -1.759  -1.705   0.673  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.544  -0.849  -0.228  0.00  0.00    -0.292 N 
ATOM     20  C   LIG    1       -3.641  -0.173   0.330  0.00  0.00    +0.246 C 
ATOM     21  O   LIG    1       -3.860  -0.190   1.546  0.00  0.00    -0.273 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -4.618   0.568  -0.624  0.00  0.00    +0.217 C 
ATOM     23  O   LIG    1       -5.257   1.736  -0.086  0.00  0.00    -0.365 OA
ATOM     24  C   LIG    1       -6.329   1.438   0.815  0.00  0.00    +0.176 C 
ATOM     25  C   LIG    1       -7.367   0.507   0.178  0.00  0.00    +0.109 C 
ATOM     26  N   LIG    1       -6.763  -0.754  -0.286  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -6.368  -1.225   0.533  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.654  -0.422  -1.205  0.00  0.00    +0.122 C 
ENDBRANCH  20  22
BRANCH  19  29
ATOM     29  C   LIG    1       -2.351  -1.033  -1.653  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -1.994   0.112  -2.570  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -1.000  -0.973  -2.325  0.00  0.00    +0.024 C 
ENDBRANCH  19  29
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 10