REMARK  Name = BDB060732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.066  -1.465   0.745  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.398  -0.333   0.230  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.959  -0.202   0.322  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        1.623  -1.222   0.902  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.972  -2.344   1.382  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.371  -2.493   1.315  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.337  -2.066   0.743  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -4.790  -0.882   1.251  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.405  -0.683   1.257  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.528  -1.657   0.751  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.089  -2.852   0.268  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.473  -3.056   0.262  0.00  0.00    +0.005 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -6.826  -2.294   0.766  0.00  0.00    +0.113 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -7.247  -2.923   2.012  0.00  0.00    -0.326 NA
ATOM     15  H   LIG    1       -6.734  -3.797   2.124  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1       -6.948  -2.336   2.790  0.00  0.00    +0.119 HD
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -1.052   0.789  -0.468  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -0.830   2.111  -0.048  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -1.448   3.188  -0.691  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.297   2.973  -1.784  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1       -2.515   1.661  -2.219  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -1.894   0.585  -1.573  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.964   4.136  -2.471  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.989   4.733  -1.623  0.00  0.00    -0.326 NA
ATOM     25  H   LIG    1       -4.489   5.442  -2.154  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.672   4.017  -1.382  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   2  17
BRANCH   4  27
ATOM     27  O   LIG    1        2.995  -1.177   1.031  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        3.573   0.014   0.486  0.00  0.00    +0.234 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.093  -0.053   0.675  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1        5.706  -1.281  -0.030  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        7.096  -1.003  -0.608  0.00  0.00    +0.081 C 
ATOM     32  N   LIG    1        7.886  -0.154   0.277  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1        7.944  -0.602   1.192  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        7.287   1.176   0.436  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1        5.773   1.232   0.196  0.00  0.00    +0.022 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 9