REMARK Name = BDB048193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.220 -0.165 1.713 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.678 0.168 0.699 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.791 -0.652 0.409 0.00 0.00 -0.024 A ATOM 4 C LIG 1 2.008 -1.816 1.176 0.00 0.00 -0.042 A ATOM 5 C LIG 1 1.096 -2.139 2.194 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.003 -1.321 2.457 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.328 0.548 2.075 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.649 1.706 1.298 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -2.956 2.301 1.819 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -4.372 -0.487 3.088 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -4.694 0.377 1.939 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -4.143 1.514 1.389 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.870 1.886 0.279 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.825 0.977 0.195 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -5.773 0.024 1.179 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.900 0.856 -0.786 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -7.839 -0.185 -0.736 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -8.857 -0.276 -1.690 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.949 0.673 -2.705 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.025 1.714 -2.770 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.008 1.803 -1.816 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 2.731 -0.215 -0.688 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 N LIG 1 3.884 0.453 -0.147 0.00 0.00 -0.277 N ATOM 24 H LIG 1 3.840 0.875 0.771 0.00 0.00 +0.152 HD ATOM 25 C LIG 1 4.940 0.799 -0.940 0.00 0.00 +0.407 C ATOM 26 O LIG 1 5.041 0.484 -2.118 0.00 0.00 -0.226 OA BRANCH 25 27 ATOM 27 O LIG 1 5.840 1.539 -0.207 0.00 0.00 -0.391 OA BRANCH 27 28 ATOM 28 C LIG 1 6.948 1.980 -0.932 0.00 0.00 +0.244 A ATOM 29 N LIG 1 7.193 3.309 -0.857 0.00 0.00 -0.218 NA ATOM 30 C LIG 1 8.320 3.721 -1.483 0.00 0.00 +0.134 A ATOM 31 C LIG 1 9.181 2.846 -2.127 0.00 0.00 +0.130 A ATOM 32 N LIG 1 8.958 1.513 -2.175 0.00 0.00 -0.256 NA ATOM 33 C LIG 1 7.823 1.097 -1.558 0.00 0.00 +0.178 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 23 ENDBRANCH 3 22 BRANCH 4 34 ATOM 34 C LIG 1 3.171 -2.756 0.935 0.00 0.00 +0.046 C BRANCH 34 35 ATOM 35 C LIG 1 2.805 -3.861 -0.054 0.00 0.00 +0.125 C BRANCH 35 36 ATOM 36 C LIG 1 3.966 -4.796 -0.276 0.00 0.00 +0.305 C ATOM 37 O LIG 1 5.045 -4.728 0.290 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.687 -5.758 -1.186 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 2.789 -5.698 -1.565 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 13