REMARK Name = BDB011807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.738 0.642 1.569 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.709 0.543 1.998 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.387 1.575 2.089 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.226 -0.721 2.249 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.431 -1.896 2.530 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.762 -2.307 1.861 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.303 -3.563 2.233 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.789 -4.342 3.270 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.306 -3.895 3.975 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.420 -1.582 0.785 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.748 -1.868 0.383 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.590 -2.483 1.035 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.904 -2.694 3.605 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.850 -0.303 0.374 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.183 -1.407 -0.960 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -2.425 -1.706 -2.096 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -2.848 -1.249 -3.348 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.047 -0.539 -3.482 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -4.775 -0.218 -2.333 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -4.365 -0.673 -1.078 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 -4.392 0.027 -4.714 0.00 0.00 -0.358 N ATOM 22 H LIG 1 -4.041 -0.484 -5.517 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -5.381 0.246 -4.801 0.00 0.00 +0.142 HD ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -2.295 2.475 0.963 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.016 2.035 1.206 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.251 2.696 1.315 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -3.266 1.722 0.999 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -2.406 3.979 0.640 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -2.397 4.770 1.945 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -3.575 3.833 -1.484 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -3.659 4.265 -0.091 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -4.401 3.722 0.363 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 2.703 -0.852 2.209 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 3.223 -1.064 0.782 0.00 0.00 +0.020 A ATOM 35 C LIG 1 3.761 0.006 -0.008 0.00 0.00 -0.010 A ATOM 36 C LIG 1 4.138 -0.261 -1.351 0.00 0.00 -0.017 A ATOM 37 C LIG 1 4.658 0.757 -2.170 0.00 0.00 +0.023 A ATOM 38 C LIG 1 4.830 2.055 -1.687 0.00 0.00 +0.059 A ATOM 39 C LIG 1 4.486 2.340 -0.371 0.00 0.00 +0.015 A ATOM 40 C LIG 1 4.007 -1.549 -1.875 0.00 0.00 +0.012 A ATOM 41 C LIG 1 3.524 -2.594 -1.093 0.00 0.00 +0.046 A ATOM 42 C LIG 1 3.964 1.331 0.449 0.00 0.00 +0.010 A ATOM 43 C LIG 1 3.135 -2.364 0.224 0.00 0.00 +0.125 A BRANCH 38 44 ATOM 44 C LIG 1 5.383 3.082 -2.601 0.00 0.00 +0.337 C ATOM 45 O LIG 1 5.698 2.905 -3.764 0.00 0.00 -0.245 OA BRANCH 44 46 ATOM 46 O LIG 1 5.514 4.286 -2.016 0.00 0.00 -0.477 OA ATOM 47 H LIG 1 5.882 4.854 -2.726 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 38 44 BRANCH 43 48 ATOM 48 O LIG 1 2.708 -3.362 1.061 0.00 0.00 -0.495 OA ATOM 49 C LIG 1 2.239 -4.564 0.463 0.00 0.00 +0.277 C ENDBRANCH 43 48 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10