REMARK Name = BDB001383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.234 -1.145 -0.013 0.00 0.00 +0.192 C ATOM 2 N LIG 1 2.510 -0.417 0.079 0.00 0.00 -0.257 N ATOM 3 C LIG 1 3.450 -1.098 0.839 0.00 0.00 +0.250 C ATOM 4 O LIG 1 4.619 -0.816 1.022 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.804 -2.288 1.382 0.00 0.00 +0.045 A ATOM 6 C LIG 1 3.329 -3.249 2.228 0.00 0.00 +0.013 A ATOM 7 C LIG 1 2.495 -4.303 2.601 0.00 0.00 +0.001 A ATOM 8 C LIG 1 1.173 -4.369 2.126 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.669 -3.384 1.268 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.505 -2.340 0.890 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 0.861 -1.647 -1.418 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.485 -1.826 -1.790 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -0.830 -2.307 -3.056 0.00 0.00 +0.000 A ATOM 14 C LIG 1 0.165 -2.641 -3.969 0.00 0.00 +0.000 A ATOM 15 C LIG 1 1.504 -2.510 -3.613 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.849 -2.030 -2.347 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 0.196 -0.457 0.684 0.00 0.00 -0.343 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.221 0.798 0.172 0.00 0.00 +0.198 C BRANCH 18 23 ATOM 19 C LIG 1 -3.760 0.655 1.607 0.00 0.00 +0.165 A ATOM 20 C LIG 1 -4.496 1.084 0.497 0.00 0.00 +0.201 A ATOM 21 C LIG 1 -3.876 1.427 -0.714 0.00 0.00 +0.165 A ATOM 22 C LIG 1 -2.489 1.335 -0.815 0.00 0.00 +0.055 A ATOM 23 C LIG 1 -1.727 0.896 0.280 0.00 0.00 -0.015 A ATOM 24 C LIG 1 -2.372 0.569 1.488 0.00 0.00 +0.055 A BRANCH 19 26 ATOM 25 C LIG 1 -3.748 -0.090 3.870 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -4.476 0.350 2.733 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 -5.866 1.177 0.584 0.00 0.00 -0.501 OA ATOM 28 H LIG 1 -6.156 1.500 -0.289 0.00 0.00 +0.292 HD ENDBRANCH 20 27 BRANCH 21 29 ATOM 29 O LIG 1 -4.732 1.830 -1.709 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -4.144 2.185 -2.956 0.00 0.00 +0.277 C ENDBRANCH 21 29 ENDBRANCH 18 23 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 2.905 0.694 -0.775 0.00 0.00 +0.146 C BRANCH 31 32 ATOM 32 C LIG 1 2.752 2.065 -0.155 0.00 0.00 -0.030 A ATOM 33 C LIG 1 2.238 3.123 -0.924 0.00 0.00 +0.005 A ATOM 34 C LIG 1 2.100 4.401 -0.379 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.488 4.643 0.936 0.00 0.00 +0.000 A ATOM 36 C LIG 1 3.024 3.611 1.703 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.163 2.332 1.159 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9