REMARK Name = BDB048706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.720 -0.197 -2.271 0.00 0.00 +0.117 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.063 -1.433 -1.449 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -2.020 -2.697 -2.061 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.301 -3.860 -1.335 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.626 -3.802 0.028 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.665 -2.540 0.638 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.389 -1.375 -0.086 0.00 0.00 +0.006 A BRANCH 5 8 ATOM 8 C LIG 1 -2.908 -5.026 0.795 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -2.195 -5.323 1.969 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.461 -6.484 2.699 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.446 -7.369 2.267 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -4.164 -7.093 1.106 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.896 -5.932 0.377 0.00 0.00 +0.008 A ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 15 ATOM 14 C LIG 1 -2.852 2.083 -1.439 0.00 0.00 -0.065 C ATOM 15 C LIG 1 -2.345 1.060 -1.814 0.00 0.00 -0.085 C BRANCH 14 19 ATOM 16 C LIG 1 -4.584 5.682 -0.034 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -3.676 5.707 -1.093 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -3.107 4.515 -1.559 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -3.444 3.296 -0.969 0.00 0.00 +0.025 A ATOM 20 C LIG 1 -4.353 3.267 0.088 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.919 4.457 0.552 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 -4.886 8.040 -0.029 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -5.207 6.767 0.518 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 14 19 ENDBRANCH 1 15 BRANCH 1 24 ATOM 24 C LIG 1 -0.226 -0.028 -2.466 0.00 0.00 -0.010 C ATOM 25 C LIG 1 0.724 0.398 -1.612 0.00 0.00 -0.019 C BRANCH 25 26 ATOM 26 C LIG 1 0.568 0.850 -0.190 0.00 0.00 +0.101 C BRANCH 26 27 ATOM 27 S LIG 1 1.344 -0.345 0.949 0.00 0.00 -0.121 S BRANCH 27 28 ATOM 28 C LIG 1 3.072 -0.029 0.643 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.645 1.216 0.907 0.00 0.00 +0.021 A ATOM 30 C LIG 1 5.011 1.444 0.670 0.00 0.00 -0.008 A ATOM 31 C LIG 1 5.603 2.795 0.968 0.00 0.00 +0.047 C ATOM 32 C LIG 1 5.816 0.399 0.179 0.00 0.00 +0.124 A ATOM 33 C LIG 1 5.241 -0.849 -0.075 0.00 0.00 +0.047 A ATOM 34 C LIG 1 3.878 -1.061 0.163 0.00 0.00 +0.018 A BRANCH 32 35 ATOM 35 O LIG 1 7.135 0.715 -0.016 0.00 0.00 -0.481 OA BRANCH 35 36 ATOM 36 C LIG 1 8.044 -0.330 -0.321 0.00 0.00 +0.349 C BRANCH 36 37 ATOM 37 C LIG 1 8.343 -1.295 0.814 0.00 0.00 +0.343 C ATOM 38 O LIG 1 8.397 -2.512 0.720 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 8.593 -0.687 1.991 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 8.738 -1.423 2.622 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 24 TORSDOF 13