REMARK  Name = BDB061892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.645  -0.887   0.802  0.00  0.00    -0.219 N 
ATOM      2  N   LIG    1       -0.283  -2.081   1.333  0.00  0.00    -0.060 NA
ATOM      3  N   LIG    1        0.997  -2.292   1.061  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        1.467  -1.222   0.351  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        0.442  -0.320   0.174  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.834  -1.110  -0.125  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.329   0.058  -0.715  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        4.670   0.137  -1.175  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        5.521  -0.963  -1.056  0.00  0.00    +0.078 A 
ATOM     10  N   LIG    1        6.785  -0.948  -1.492  0.00  0.00    -0.215 NA
ATOM     11  C   LIG    1        7.228   0.176  -2.053  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        6.509   1.284  -2.228  0.00  0.00    -0.200 NA
ATOM     13  C   LIG    1        5.022  -2.115  -0.464  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        5.251   1.260  -1.772  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        3.703  -2.197   0.001  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  N   LIG    1        8.525   0.179  -2.525  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1        8.615   0.853  -3.272  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.819  -0.768  -2.716  0.00  0.00    +0.145 HD
ENDBRANCH  11  16
BRANCH  14  19
ATOM     19  N   LIG    1        4.535   2.453  -1.948  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        4.196   2.804  -1.059  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1        5.181   3.115  -2.375  0.00  0.00    +0.144 HD
ENDBRANCH  14  19
ENDBRANCH   4   6
BRANCH   1  26
ATOM     22  C   LIG    1       -4.243  -0.676   1.746  0.00  0.00    +0.167 A 
ATOM     23  C   LIG    1       -4.592   0.556   1.163  0.00  0.00    +0.204 A 
ATOM     24  C   LIG    1       -3.624   1.338   0.518  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -2.321   0.850   0.376  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -1.967  -0.386   0.928  0.00  0.00    +0.074 A 
ATOM     27  C   LIG    1       -2.930  -1.142   1.621  0.00  0.00    +0.077 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.907  -2.536   3.091  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.250  -1.345   2.393  0.00  0.00    -0.491 OA
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1       -5.889   1.002   1.261  0.00  0.00    -0.488 OA
ATOM     31  C   LIG    1       -6.667   0.466   0.190  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
BRANCH  24  32
ATOM     32  O   LIG    1       -3.840   2.559  -0.066  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -4.631   3.457   0.711  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH   1  26
TORSDOF 7