REMARK Name = BDB035096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.612 -0.150 0.259 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -1.722 -0.801 0.865 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -2.956 -0.206 0.690 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -3.886 -1.019 1.295 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -3.159 -2.047 1.849 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -3.128 0.991 -0.028 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.106 1.566 -0.601 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.819 -1.907 1.579 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.868 0.977 -0.438 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 0.352 -2.413 -1.438 0.00 0.00 +0.044 C ATOM 11 C LIG 1 1.252 -1.692 -0.470 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.783 -0.632 0.330 0.00 0.00 -0.010 A ATOM 13 C LIG 1 1.661 -0.004 1.226 0.00 0.00 +0.009 A ATOM 14 C LIG 1 2.987 -0.421 1.337 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.470 -1.475 0.551 0.00 0.00 -0.027 A ATOM 16 C LIG 1 2.590 -2.105 -0.343 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 4.899 -1.968 0.669 0.00 0.00 +0.109 C ATOM 18 N LIG 1 5.893 -0.914 0.858 0.00 0.00 -0.260 N ATOM 19 C LIG 1 6.219 0.052 -0.062 0.00 0.00 +0.404 C ATOM 20 O LIG 1 7.109 0.874 0.113 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 6.712 -1.151 2.028 0.00 0.00 +0.112 C ATOM 22 C LIG 1 6.521 -2.632 2.315 0.00 0.00 +0.021 C ATOM 23 C LIG 1 5.074 -2.872 1.901 0.00 0.00 +0.029 C BRANCH 19 24 ATOM 24 O LIG 1 5.446 -0.029 -1.173 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 5.583 0.920 -2.259 0.00 0.00 +0.107 C ATOM 26 C LIG 1 6.969 0.831 -2.904 0.00 0.00 +0.055 C ATOM 27 C LIG 1 5.253 2.343 -1.797 0.00 0.00 +0.055 C ATOM 28 C LIG 1 4.530 0.482 -3.289 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -3.665 -3.158 2.595 0.00 0.00 +0.121 C ATOM 30 N LIG 1 -4.109 -4.049 3.195 0.00 0.00 -0.189 NA ENDBRANCH 5 29 BRANCH 6 31 ATOM 31 N LIG 1 -4.377 1.558 -0.159 0.00 0.00 -0.310 N ATOM 32 H LIG 1 -4.304 2.264 -0.890 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -5.005 2.183 1.006 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -6.424 1.719 1.168 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -7.377 1.775 0.152 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.248 2.185 -1.268 0.00 0.00 +0.080 C ATOM 37 C LIG 1 -8.728 2.274 -1.638 0.00 0.00 +0.234 C ATOM 38 O LIG 1 -9.489 1.443 -0.735 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -8.680 1.337 0.366 0.00 0.00 +0.124 A ATOM 40 C LIG 1 -9.099 0.829 1.579 0.00 0.00 +0.049 A ATOM 41 C LIG 1 -8.173 0.784 2.618 0.00 0.00 +0.042 A ATOM 42 C LIG 1 -6.861 1.231 2.408 0.00 0.00 +0.129 A ATOM 43 F LIG 1 -5.999 1.170 3.433 0.00 0.00 -0.205 F ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 6 31 TORSDOF 8