REMARK Name = BDB050803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.990 0.347 -1.121 0.00 0.00 -0.036 A ATOM 2 C LIG 1 4.127 -0.940 -0.530 0.00 0.00 -0.011 A ATOM 3 C LIG 1 2.965 -1.596 -0.035 0.00 0.00 +0.024 A ATOM 4 C LIG 1 3.106 -2.869 0.565 0.00 0.00 +0.012 A ATOM 5 C LIG 1 4.344 -3.496 0.683 0.00 0.00 +0.001 A ATOM 6 C LIG 1 5.477 -2.863 0.202 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.697 -0.971 -0.144 0.00 0.00 +0.128 A ATOM 8 C LIG 1 1.586 0.288 -0.731 0.00 0.00 +0.046 A ATOM 9 C LIG 1 5.369 -1.607 -0.397 0.00 0.00 +0.009 A ATOM 10 C LIG 1 2.718 0.937 -1.213 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 5.156 1.160 -1.655 0.00 0.00 +0.079 C BRANCH 11 12 ATOM 12 C LIG 1 5.615 2.273 -0.695 0.00 0.00 +0.230 C BRANCH 12 14 ATOM 13 C LIG 1 6.468 4.497 -0.803 0.00 0.00 +0.195 C ATOM 14 O LIG 1 6.186 3.299 -1.517 0.00 0.00 -0.368 OA ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 6.590 1.691 0.345 0.00 0.00 +0.334 C ATOM 16 O LIG 1 7.809 1.791 0.294 0.00 0.00 -0.248 OA BRANCH 15 17 ATOM 17 O LIG 1 5.981 1.061 1.379 0.00 0.00 -0.479 OA ATOM 18 H LIG 1 5.010 0.974 1.302 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 7 19 ATOM 19 O LIG 1 0.627 -1.673 0.362 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 -0.681 -1.126 0.180 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 C LIG 1 -1.691 -2.111 0.762 0.00 0.00 +0.100 C BRANCH 21 22 ATOM 22 C LIG 1 -3.092 -1.678 0.540 0.00 0.00 +0.086 A ATOM 23 C LIG 1 -4.117 -2.314 -0.127 0.00 0.00 +0.126 A ATOM 24 C LIG 1 -4.255 -3.590 -0.849 0.00 0.00 +0.088 C ATOM 25 O LIG 1 -5.219 -1.511 -0.061 0.00 0.00 -0.440 OA ATOM 26 C LIG 1 -4.808 -0.412 0.643 0.00 0.00 +0.228 A ATOM 27 N LIG 1 -3.546 -0.474 1.032 0.00 0.00 -0.214 NA BRANCH 26 28 ATOM 28 C LIG 1 -5.798 0.636 0.916 0.00 0.00 +0.040 A ATOM 29 C LIG 1 -6.975 0.848 0.163 0.00 0.00 -0.038 A ATOM 30 C LIG 1 -7.343 0.016 -1.037 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.859 1.879 0.541 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.583 2.704 1.630 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.418 2.515 2.361 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.537 1.493 2.005 0.00 0.00 +0.013 A ENDBRANCH 26 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 7 19 TORSDOF 10