REMARK Name = BDB028128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.610 1.918 -1.659 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.597 1.806 -0.546 0.00 0.00 -0.013 A ATOM 3 C LIG 1 3.276 0.612 -0.159 0.00 0.00 +0.004 A ATOM 4 C LIG 1 4.149 0.932 0.880 0.00 0.00 +0.050 A ATOM 5 C LIG 1 4.958 -0.044 1.485 0.00 0.00 +0.027 A ATOM 6 C LIG 1 4.842 -1.369 1.042 0.00 0.00 +0.006 A ATOM 7 C LIG 1 3.959 -1.728 0.019 0.00 0.00 -0.046 A ATOM 8 C LIG 1 3.863 -3.175 -0.418 0.00 0.00 +0.039 C ATOM 9 C LIG 1 2.439 -3.630 -0.774 0.00 0.00 +0.031 C ATOM 10 C LIG 1 2.366 -5.110 -1.030 0.00 0.00 -0.031 C ATOM 11 C LIG 1 1.478 -5.979 -0.519 0.00 0.00 -0.029 C ATOM 12 C LIG 1 0.370 -5.684 0.457 0.00 0.00 +0.050 C ATOM 13 C LIG 1 -1.003 -5.583 -0.207 0.00 0.00 +0.151 C ATOM 14 N LIG 1 -1.243 -4.310 -0.845 0.00 0.00 -0.226 N ATOM 15 C LIG 1 -1.851 -3.212 -0.302 0.00 0.00 +0.179 A ATOM 16 C LIG 1 -1.941 -2.327 -1.364 0.00 0.00 +0.135 A ATOM 17 C LIG 1 -2.567 -1.076 -1.168 0.00 0.00 -0.014 A ATOM 18 C LIG 1 -3.060 -0.830 0.142 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -3.828 0.430 0.571 0.00 0.00 +0.061 C ATOM 20 C LIG 1 -3.073 1.734 0.294 0.00 0.00 -0.039 A ATOM 21 C LIG 1 -1.812 1.919 0.890 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -1.062 3.086 0.674 0.00 0.00 -0.027 A ATOM 23 C LIG 1 0.293 3.222 1.328 0.00 0.00 +0.143 C ATOM 24 N LIG 1 1.101 4.260 0.697 0.00 0.00 -0.292 N ATOM 25 C LIG 1 2.465 4.153 0.461 0.00 0.00 +0.264 C ATOM 26 O LIG 1 3.186 5.141 0.346 0.00 0.00 -0.268 OA ATOM 27 C LIG 1 0.419 5.535 0.530 0.00 0.00 +0.113 C ATOM 28 C LIG 1 -0.784 5.365 -0.407 0.00 0.00 +0.054 C ATOM 29 C LIG 1 -1.591 4.117 -0.120 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -2.844 3.941 -0.717 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.575 2.765 -0.511 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -2.874 -1.829 1.122 0.00 0.00 +0.117 A ATOM 33 C LIG 1 -2.657 -0.093 -2.296 0.00 0.00 +0.046 C ATOM 34 N LIG 1 -1.372 -2.898 -2.476 0.00 0.00 -0.128 NA ATOM 35 N LIG 1 -2.282 -3.037 0.960 0.00 0.00 -0.234 NA ATOM 36 N LIG 1 -0.963 -4.122 -2.152 0.00 0.00 -0.063 NA ATOM 37 N LIG 1 4.020 2.289 1.101 0.00 0.00 -0.339 N ATOM 38 C LIG 1 4.795 3.072 2.041 0.00 0.00 +0.149 C ATOM 39 C LIG 1 3.208 -0.723 -0.609 0.00 0.00 +0.014 A ATOM 40 C LIG 1 2.988 2.804 0.343 0.00 0.00 +0.108 A ENDROOT BRANCH 19 41 ATOM 41 C LIG 1 -5.290 0.396 0.083 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 -6.054 -0.783 0.616 0.00 0.00 +0.306 C ATOM 43 O LIG 1 -6.674 -1.599 -0.046 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 -6.051 -0.856 1.960 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 -6.609 -1.642 2.156 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 19 41 TORSDOF 3