REMARK Name = BDB007259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.968 -0.863 0.307 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -7.273 0.301 0.664 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.899 0.387 0.386 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -5.194 -0.659 -0.230 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.733 -0.494 -0.604 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.986 -1.764 -0.777 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -3.644 -2.971 -1.029 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -5.149 -2.946 -1.215 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -3.082 -4.067 -1.132 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.873 -1.829 -0.534 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -7.250 -1.926 -0.267 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.565 0.436 -1.812 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.049 1.732 -1.629 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.868 2.590 -2.716 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.208 2.165 -3.996 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.977 3.222 -5.335 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.728 0.890 -4.200 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.908 0.029 -3.113 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.542 -1.675 -0.860 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.799 -2.521 -1.687 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.592 -2.371 -1.841 0.00 0.00 +0.025 A ATOM 22 C LIG 1 1.321 -1.371 -1.186 0.00 0.00 +0.030 A ATOM 23 C LIG 1 0.571 -0.558 -0.326 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -0.821 -0.697 -0.170 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 2.697 -1.217 -1.361 0.00 0.00 -0.333 N ATOM 26 C LIG 1 3.354 -1.898 -2.476 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 3.420 -0.068 -0.796 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 3.875 -0.334 0.655 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.409 0.977 1.267 0.00 0.00 +0.006 C ATOM 30 C LIG 1 5.516 0.714 2.281 0.00 0.00 +0.019 C ATOM 31 C LIG 1 6.773 0.087 1.614 0.00 0.00 +0.057 C ATOM 32 C LIG 1 6.331 -0.967 0.559 0.00 0.00 +0.019 C ATOM 33 C LIG 1 4.907 -1.473 0.767 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 7.678 1.099 1.004 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 8.874 0.510 0.338 0.00 0.00 +0.181 C ATOM 36 C LIG 1 10.092 0.372 1.259 0.00 0.00 +0.229 C ATOM 37 O LIG 1 10.730 -0.672 1.360 0.00 0.00 -0.274 OA ATOM 38 N LIG 1 10.430 1.551 1.915 0.00 0.00 -0.302 N ATOM 39 C LIG 1 11.565 1.625 2.809 0.00 0.00 +0.132 C ATOM 40 C LIG 1 9.510 2.674 1.821 0.00 0.00 +0.123 C ATOM 41 C LIG 1 8.062 2.172 1.956 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 43 ATOM 42 C LIG 1 -10.058 -1.960 -0.102 0.00 0.00 +0.277 C ATOM 43 O LIG 1 -9.318 -0.922 0.526 0.00 0.00 -0.491 OA ENDBRANCH 1 43 BRANCH 2 44 ATOM 44 O LIG 1 -7.733 1.448 1.252 0.00 0.00 -0.486 OA BRANCH 44 45 ATOM 45 C LIG 1 -9.109 1.624 1.599 0.00 0.00 +0.167 C ATOM 46 C LIG 1 -9.140 2.678 2.707 0.00 0.00 +0.051 C ATOM 47 C LIG 1 -9.892 2.130 0.390 0.00 0.00 +0.051 C ENDBRANCH 44 45 ENDBRANCH 2 44 TORSDOF 9