REMARK  Name = BDB041190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.637  -1.534  -2.369  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.183  -1.428  -1.048  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -2.040  -1.416  -0.003  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.358  -1.506  -0.263  0.00  0.00    +0.164 A 
ATOM      5  N   LIG    1       -3.882  -1.640  -1.491  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -3.005  -1.643  -2.515  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.265  -1.522   0.891  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -5.506  -0.854   0.903  0.00  0.00    +0.055 A 
ATOM      9  N   LIG    1       -6.339  -0.913   1.988  0.00  0.00    -0.259 NA
ATOM     10  C   LIG    1       -5.946  -1.609   3.075  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -4.742  -2.272   3.160  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.899  -2.224   2.058  0.00  0.00    +0.015 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.998  -0.013  -0.263  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -5.322   1.302  -0.587  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -6.704   1.302  -0.010  0.00  0.00    +0.010 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.225  -1.499  -4.714  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.723  -1.514  -3.385  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.213  -1.323  -0.783  0.00  0.00    -0.315 N 
ATOM     19  C   LIG    1        0.831  -2.647  -0.924  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.485  -0.646   0.498  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.928  -0.113   0.562  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        2.239   0.845  -0.607  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.286   1.908  -0.261  0.00  0.00    +0.107 C 
ATOM     24  N   LIG    1        4.228   1.357   0.712  0.00  0.00    -0.315 N 
ATOM     25  C   LIG    1        3.645   1.053   2.028  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        2.188   0.588   1.901  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.494   1.956   0.772  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        6.002   2.322   1.971  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.233   2.881   2.014  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        8.024   3.092   0.903  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.523   2.697  -0.326  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.254   2.120  -0.389  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7