REMARK  Name = BDB060619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603  -0.703   0.386  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.057   0.574   0.582  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.426   1.086   0.841  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -2.218   2.596   0.620  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -0.760   2.871   0.751  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -0.228   3.934  -0.114  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -1.320   4.994  -0.335  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -2.501   4.481  -0.981  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -2.718   3.076  -0.760  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.149   1.608   0.523  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.145   1.434   0.270  0.00  0.00    -0.211 NA
ATOM     12  C   LIG    1        1.528   0.152   0.081  0.00  0.00    +0.184 A 
ATOM     13  N   LIG    1        0.697  -0.916   0.133  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -1.221  -2.515  -1.919  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -1.138  -2.923  -0.444  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.515  -1.785   0.452  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -1.567  -2.239   1.868  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -2.540  -3.416   2.005  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -2.147  -4.513   1.169  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -2.120  -4.098  -0.206  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.957  -0.095  -0.204  0.00  0.00    +0.130 A 
ATOM     22  N   LIG    1        3.334  -1.365  -0.489  0.00  0.00    -0.144 NA
ATOM     23  N   LIG    1        4.654  -1.665  -0.773  0.00  0.00    -0.134 NA
ATOM     24  C   LIG    1        5.590  -0.704  -0.755  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1        5.248   0.606  -0.477  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        3.916   0.914  -0.196  0.00  0.00    +0.037 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.910  -1.043  -1.060  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1        7.552  -0.732  -0.340  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        6.948  -2.051  -1.190  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3