REMARK Name = BDB042144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.082 0.544 2.353 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 4.993 0.800 -0.999 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.990 1.770 -0.008 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.869 2.567 0.256 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.723 1.630 0.719 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.031 0.548 0.178 0.00 0.00 -0.018 A ATOM 7 C LIG 1 1.798 0.181 0.689 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.265 0.924 1.760 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.994 2.015 2.294 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.238 2.377 1.773 0.00 0.00 +0.014 A ATOM 11 C LIG 1 3.814 -0.057 -0.940 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 8.895 -1.887 -3.804 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.126 -1.140 -3.207 0.00 0.00 +0.219 C ATOM 14 N LIG 1 6.973 -0.693 -3.801 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.786 -1.072 -4.720 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.907 -0.074 -3.189 0.00 0.00 +0.240 C ATOM 17 O LIG 1 4.832 0.015 -3.779 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.183 0.499 -1.789 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.114 -0.447 -1.030 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.404 -0.638 -1.812 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -1.051 1.655 2.334 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -1.549 1.924 0.963 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -2.840 1.168 0.527 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.022 -0.081 1.266 0.00 0.00 -0.287 NA ATOM 25 C LIG 1 -3.106 0.174 2.713 0.00 0.00 +0.101 C ATOM 26 C LIG 1 -2.207 1.345 3.197 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.082 -1.008 0.780 0.00 0.00 +0.155 C BRANCH 27 28 ATOM 28 C LIG 1 -5.549 -0.552 0.916 0.00 0.00 +0.064 A ATOM 29 N LIG 1 -5.882 0.735 0.623 0.00 0.00 -0.258 NA ATOM 30 C LIG 1 -7.180 1.092 0.734 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -8.188 0.225 1.114 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -7.847 -1.090 1.397 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.516 -1.488 1.296 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -3.782 -1.617 -0.601 0.00 0.00 +0.064 A ATOM 35 N LIG 1 -3.113 -2.806 -0.620 0.00 0.00 -0.258 NA ATOM 36 C LIG 1 -2.835 -3.352 -1.825 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -3.193 -2.780 -3.032 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -3.877 -1.573 -3.007 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -4.176 -0.982 -1.781 0.00 0.00 +0.025 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6