REMARK Name = BDB065299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.871 -0.234 0.321 0.00 0.00 +0.351 C ATOM 2 O LIG 1 -1.257 -1.396 0.326 0.00 0.00 -0.244 OA ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 5.172 -0.931 -0.638 0.00 0.00 +0.162 A ATOM 4 C LIG 1 5.582 0.294 -0.065 0.00 0.00 +0.165 A ATOM 5 C LIG 1 4.626 1.157 0.478 0.00 0.00 +0.096 A ATOM 6 C LIG 1 3.283 0.792 0.442 0.00 0.00 +0.143 A ATOM 7 C LIG 1 2.860 -0.406 -0.119 0.00 0.00 +0.022 A ATOM 8 C LIG 1 1.438 -0.709 -0.133 0.00 0.00 +0.034 A ATOM 9 C LIG 1 0.555 0.148 0.406 0.00 0.00 +0.144 A ATOM 10 C LIG 1 0.992 1.396 1.062 0.00 0.00 +0.351 A ATOM 11 O LIG 1 0.217 2.144 1.647 0.00 0.00 -0.244 OA ATOM 12 O LIG 1 2.354 1.685 1.009 0.00 0.00 -0.421 OA ATOM 13 C LIG 1 3.811 -1.272 -0.662 0.00 0.00 +0.061 A BRANCH 3 15 ATOM 14 C LIG 1 5.819 -2.979 -1.696 0.00 0.00 +0.277 C ATOM 15 O LIG 1 6.175 -1.717 -1.149 0.00 0.00 -0.491 OA ENDBRANCH 3 15 BRANCH 4 16 ATOM 16 O LIG 1 6.931 0.548 -0.087 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 7.383 1.767 0.485 0.00 0.00 +0.277 C ENDBRANCH 4 16 ENDBRANCH 1 9 BRANCH 1 18 ATOM 18 O LIG 1 -1.648 0.898 0.161 0.00 0.00 -0.422 OA BRANCH 18 19 ATOM 19 C LIG 1 -3.030 0.687 0.112 0.00 0.00 +0.133 A ATOM 20 C LIG 1 -3.622 -0.012 -0.938 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -5.018 -0.162 -0.982 0.00 0.00 -0.010 A ATOM 22 C LIG 1 -5.825 0.413 0.028 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -7.226 0.226 -0.076 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -7.804 -0.462 -1.078 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -7.002 -0.994 -2.020 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -5.187 1.135 1.068 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.625 -0.874 -2.018 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -3.800 1.278 1.106 0.00 0.00 +0.047 A BRANCH 23 29 ATOM 29 N LIG 1 -8.105 0.759 0.880 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -7.994 1.767 0.911 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -7.875 0.377 1.792 0.00 0.00 +0.144 HD ENDBRANCH 23 29 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 6