REMARK Name = BDB000490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.168 -1.402 -1.436 0.00 0.00 -0.488 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.124 -0.316 -2.179 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.311 -0.719 -1.105 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -2.700 -0.414 0.201 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -3.887 0.290 0.443 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -4.713 0.704 -0.611 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -4.310 0.386 -1.922 0.00 0.00 +0.060 A BRANCH 6 8 ATOM 8 C LIG 1 -5.977 1.448 -0.418 0.00 0.00 +0.110 A ATOM 9 S LIG 1 -6.515 1.956 1.139 0.00 0.00 -0.067 S ATOM 10 C LIG 1 -7.915 2.670 0.445 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -7.883 2.475 -0.935 0.00 0.00 +0.079 A ATOM 12 C LIG 1 -8.941 2.982 -1.716 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -9.996 3.665 -1.101 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -10.007 3.847 0.278 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.969 3.353 1.075 0.00 0.00 +0.017 A ATOM 16 N LIG 1 -6.782 1.785 -1.409 0.00 0.00 -0.239 NA ENDBRANCH 6 8 BRANCH 2 18 ATOM 17 C LIG 1 -3.457 -0.235 -4.545 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -2.679 -0.655 -3.433 0.00 0.00 -0.491 OA ENDBRANCH 2 18 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.294 -1.798 -0.382 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 C LIG 1 0.917 -2.498 -0.998 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 1.779 -1.543 -1.824 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 2.320 -0.497 -1.016 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.494 -0.708 -0.346 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.954 0.406 0.365 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.129 0.304 1.092 0.00 0.00 -0.040 A ATOM 26 C LIG 1 5.811 1.377 1.879 0.00 0.00 +0.036 C ATOM 27 C LIG 1 6.750 0.541 2.758 0.00 0.00 +0.013 C ATOM 28 C LIG 1 7.120 -0.716 1.935 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.863 -0.886 1.118 0.00 0.00 -0.040 A ATOM 30 C LIG 1 5.426 -1.992 0.407 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.232 -1.900 -0.320 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 7.474 -1.917 2.809 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 8.764 -1.708 3.552 0.00 0.00 +0.305 C ATOM 34 O LIG 1 9.584 -0.822 3.384 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 8.973 -2.667 4.476 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 9.836 -2.431 4.876 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11