REMARK  Name = BDB061453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.456  -4.064   1.799  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.574  -2.585   1.735  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -1.304  -1.839   0.607  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1       -1.514  -0.522   0.917  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -1.911  -0.529   2.244  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -2.195   0.700   2.842  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.051   1.842   2.045  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -1.643   1.726   0.707  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1       -1.360   0.540   0.104  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -1.947  -1.807   2.737  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.477   2.908  -0.158  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.386   3.008  -1.028  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -0.255   4.129  -1.830  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -1.130   5.145  -1.812  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -2.187   5.057  -0.992  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1       -2.394   3.966  -0.156  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        0.840   4.267  -2.680  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        0.698   5.134  -3.194  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        0.931   3.471  -3.300  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -3.102   6.116  -0.997  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -3.155   6.529  -0.072  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.023   5.774  -1.249  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -0.893  -2.316  -0.700  0.00  0.00    +0.166 C 
BRANCH  23  24
ATOM     24  C   LIG    1        0.597  -2.116  -0.954  0.00  0.00    +0.252 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.329  -3.042  -0.141  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.697  -2.907  -0.268  0.00  0.00    +0.216 A 
ATOM     27  N   LIG    1        3.204  -2.113  -1.231  0.00  0.00    -0.206 NA
ATOM     28  C   LIG    1        4.550  -2.037  -1.304  0.00  0.00    +0.110 A 
ATOM     29 BR   LIG    1        5.291  -0.919  -2.646  0.00  0.00    -0.029 Br
ATOM     30  C   LIG    1        5.409  -2.727  -0.459  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        4.854  -3.546   0.519  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        3.470  -3.642   0.617  0.00  0.00    +0.067 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7