REMARK Name = BDB046197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 1.074 0.916 1.579 0.00 0.00 +0.185 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -0.761 -0.536 -0.111 0.00 0.00 -0.226 OA ATOM 3 C LIG 1 -1.110 0.473 0.481 0.00 0.00 +0.401 C ATOM 4 N LIG 1 -0.300 1.261 1.230 0.00 0.00 -0.268 N ATOM 5 H LIG 1 -0.750 2.017 1.735 0.00 0.00 +0.153 HD BRANCH 3 6 ATOM 6 O LIG 1 -2.360 0.990 0.488 0.00 0.00 -0.449 OA BRANCH 6 7 ATOM 7 C LIG 1 -3.326 0.221 -0.253 0.00 0.00 +0.246 C BRANCH 7 8 ATOM 8 C LIG 1 -4.699 0.889 -0.133 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -5.713 0.325 -1.121 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -6.823 -0.212 -0.433 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -7.877 -0.778 -1.131 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -7.818 -0.799 -2.527 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.716 -0.256 -3.209 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.620 -0.043 0.990 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -7.420 -0.402 2.063 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -6.975 -0.107 3.355 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.746 0.540 3.562 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.938 0.902 2.483 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.653 0.316 -2.507 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.381 0.600 1.203 0.00 0.00 -0.029 A ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 1.304 1.409 3.008 0.00 0.00 +0.325 C ATOM 22 O LIG 1 0.623 2.235 3.600 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 2.378 0.854 3.599 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 2.414 1.248 4.495 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 25 ATOM 25 C LIG 1 2.081 1.583 0.634 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 2.057 1.074 -0.816 0.00 0.00 +0.026 C BRANCH 26 27 ATOM 27 C LIG 1 2.404 -0.406 -0.999 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 N LIG 1 3.776 -0.713 -0.659 0.00 0.00 -0.251 N ATOM 29 N LIG 1 4.099 -1.095 0.587 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 5.410 -1.296 0.609 0.00 0.00 -0.130 NA ATOM 31 C LIG 1 5.910 -1.044 -0.646 0.00 0.00 +0.113 A ATOM 32 C LIG 1 4.871 -0.669 -1.470 0.00 0.00 +0.138 A BRANCH 31 33 ATOM 33 C LIG 1 7.316 -1.166 -0.993 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.233 -1.593 -0.020 0.00 0.00 +0.011 A ATOM 35 C LIG 1 9.593 -1.722 -0.320 0.00 0.00 +0.015 A ATOM 36 C LIG 1 10.049 -1.422 -1.601 0.00 0.00 +0.013 A ATOM 37 I LIG 1 12.068 -1.612 -2.053 0.00 0.00 -0.044 I ATOM 38 C LIG 1 9.155 -0.996 -2.582 0.00 0.00 +0.015 A ATOM 39 C LIG 1 7.795 -0.869 -2.278 0.00 0.00 +0.011 A ENDBRANCH 31 33 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11