REMARK Name = BDB057817 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.812 -0.004 0.614 0.00 0.00 +0.163 A ATOM 2 N LIG 1 -4.272 0.549 1.748 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -3.374 1.111 2.560 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.005 1.143 2.271 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.117 1.780 3.176 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.587 2.357 4.353 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.944 2.310 4.639 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.626 0.528 1.064 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -3.820 1.692 3.742 0.00 0.00 +0.028 A ATOM 10 N LIG 1 -2.527 -0.016 0.230 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 13 ATOM 11 BR LIG 1 -3.329 -3.091 -0.400 0.00 0.00 -0.050 Br ATOM 12 C LIG 1 -4.717 -1.866 -0.852 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -4.806 -0.573 -0.303 0.00 0.00 +0.033 A ATOM 14 C LIG 1 -5.924 0.210 -0.665 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -6.897 -0.263 -1.549 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.780 -1.538 -2.089 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.696 -2.340 -1.740 0.00 0.00 +0.016 A ENDBRANCH 1 13 BRANCH 8 18 ATOM 18 N LIG 1 -0.263 0.507 0.695 0.00 0.00 -0.324 N ATOM 19 H LIG 1 0.279 0.111 1.458 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 0.019 -0.191 -0.554 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 1.515 -0.190 -0.781 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.181 0.998 -1.105 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.565 1.007 -1.304 0.00 0.00 +0.009 A ATOM 24 C LIG 1 4.323 -0.169 -1.182 0.00 0.00 -0.016 A ATOM 25 C LIG 1 3.646 -1.355 -0.853 0.00 0.00 +0.009 A ATOM 26 C LIG 1 2.261 -1.367 -0.652 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.778 -0.159 -1.390 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.612 0.744 -0.729 0.00 0.00 +0.119 A ATOM 29 N LIG 1 7.959 0.808 -0.876 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 8.515 -0.076 -1.728 0.00 0.00 +0.111 A ATOM 31 C LIG 1 7.790 -1.018 -2.437 0.00 0.00 +0.020 A ATOM 32 C LIG 1 6.407 -1.057 -2.263 0.00 0.00 +0.011 A ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 8 18 TORSDOF 5