REMARK Name = BDB026471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.680 -0.345 0.619 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.567 -0.564 0.052 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -0.925 -0.211 -1.060 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.353 -1.217 1.003 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.715 -1.185 2.300 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.721 -0.770 2.001 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.709 0.455 -0.017 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 5.715 -0.544 1.057 0.00 0.00 +0.055 A ATOM 9 C LIG 1 4.802 -1.486 0.616 0.00 0.00 +0.124 A ATOM 10 N LIG 1 3.530 -1.183 0.264 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 3.128 0.110 0.388 0.00 0.00 +0.059 A ATOM 12 C LIG 1 3.986 1.110 0.850 0.00 0.00 +0.025 A ATOM 13 C LIG 1 5.295 0.776 1.197 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 7.195 -1.825 2.297 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 7.071 -0.978 1.418 0.00 0.00 +0.248 C ATOM 16 N LIG 1 8.143 -0.426 0.745 0.00 0.00 -0.292 N ATOM 17 C LIG 1 9.498 -0.915 0.999 0.00 0.00 +0.183 C ATOM 18 C LIG 1 10.319 -0.431 -0.189 0.00 0.00 +0.266 C ATOM 19 F LIG 1 10.369 -1.377 -1.156 0.00 0.00 -0.204 F ATOM 20 F LIG 1 11.584 -0.116 0.146 0.00 0.00 -0.204 F ATOM 21 C LIG 1 9.562 0.781 -0.694 0.00 0.00 +0.096 C ATOM 22 C LIG 1 8.114 0.370 -0.475 0.00 0.00 +0.114 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.784 -1.424 0.826 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 C LIG 1 -3.608 -0.129 0.980 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.583 0.307 2.354 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.971 -0.404 2.893 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -5.088 -0.313 0.560 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.325 -0.845 -0.791 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.767 -1.020 -1.057 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.516 0.249 -1.407 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.837 1.379 -1.901 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -7.559 2.527 -2.254 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.949 2.547 -2.141 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.626 1.425 -1.669 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.331 1.378 -1.993 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -8.915 0.281 -1.307 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.736 -0.032 -1.871 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8