REMARK  Name = BDB032326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.291   0.428  -0.006  0.00  0.00    +0.156 A 
ATOM      2  N   LIG    1        1.594   1.115  -0.949  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        0.333   1.501  -0.653  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.291   1.249   0.562  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.435   0.533   1.516  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.739   0.119   1.237  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.654  -0.802  -0.324  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1        5.432  -0.180  -1.520  0.00  0.00    -0.131 NA
ATOM      9  N   LIG    1        4.199   0.308  -1.513  0.00  0.00    -0.059 NA
ATOM     10  N   LIG    1        3.623   0.020  -0.318  0.00  0.00    -0.202 N 
ATOM     11  C   LIG    1        4.520  -0.687   0.452  0.00  0.00    +0.144 A 
BRANCH   7  13
ATOM     12  C   LIG    1        7.669  -1.993  -1.258  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        6.964  -1.462  -0.004  0.00  0.00    +0.105 C 
ATOM     14  C   LIG    1        7.888  -0.491   0.737  0.00  0.00    +0.048 C 
BRANCH  13  15
ATOM     15  O   LIG    1        6.756  -2.584   0.872  0.00  0.00    -0.383 OA
ATOM     16  H   LIG    1        6.228  -3.231   0.372  0.00  0.00    +0.211 HD
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  17
ATOM     17  C   LIG    1       -1.701   1.708   0.811  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.621   0.835   0.097  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -2.364  -0.144   0.193  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.015   0.999   0.224  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.897   0.041  -0.370  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.300   0.199  -0.246  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -7.137  -0.790  -0.810  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1       -6.685  -1.856  -1.494  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -5.353  -1.967  -1.638  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -6.804   1.338   0.413  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.950   2.303   0.933  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.442  -1.072  -1.104  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -4.572   2.138   0.829  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1       -8.531  -0.729  -0.703  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -8.810  -0.698   0.271  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -8.881  -1.567  -1.162  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7