REMARK  Name = BDB031073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.294   0.768   0.357  0.00  0.00    +0.007 A 
ATOM      2  C   LIG    1        3.633   2.211   0.477  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        2.653   3.127   0.663  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.289   2.739   0.726  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.003   1.385   0.616  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -0.371   1.258   0.729  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -0.831   2.558   0.827  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        0.198   3.462   0.852  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        1.990   0.420   0.422  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.115  -2.302   1.030  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        5.976  -1.602   0.488  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        5.499  -1.951  -0.722  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        4.465  -1.124  -0.906  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        4.290  -0.242   0.180  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        5.280  -0.583   1.074  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1       -1.119   0.016   0.697  0.00  0.00    +0.091 A 
ATOM     17  N   LIG    1       -2.069  -0.030  -0.263  0.00  0.00    -0.231 NA
ATOM     18  C   LIG    1       -2.815  -1.145  -0.351  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -2.638  -2.230   0.498  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -1.665  -2.161   1.491  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.891  -1.013   1.599  0.00  0.00    +0.030 A 
BRANCH  18  22
ATOM     22  N   LIG    1       -3.770  -1.143  -1.368  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1       -3.619  -0.250  -1.839  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -5.160  -1.280  -0.896  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.145  -1.348  -2.070  0.00  0.00    +0.201 C 
ATOM     26  F   LIG    1       -6.543  -2.635  -2.264  0.00  0.00    -0.242 F 
ATOM     27  C   LIG    1       -7.338  -0.489  -1.652  0.00  0.00    +0.119 C 
ATOM     28  N   LIG    1       -7.104  -0.088  -0.258  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1       -7.518   0.823  -0.063  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -5.647  -0.049  -0.118  0.00  0.00    +0.106 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   6  16
BRANCH   2  31
ATOM     31  C   LIG    1        5.088   2.610   0.352  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1        5.250   4.016   0.195  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1        4.905   4.240  -0.687  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH   2  31
TORSDOF 6