REMARK Name = BDB041437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.650 -1.406 -1.767 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.673 -2.804 -1.540 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.455 -3.494 -1.086 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.191 -4.898 -0.922 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.094 -5.243 -1.258 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.647 -2.765 -0.862 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.718 -1.377 -1.084 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -2.001 -3.891 -1.760 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.564 -0.727 -1.523 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.846 -0.612 -2.265 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 -3.589 0.844 0.815 0.00 0.00 +0.007 C ATOM 12 C LIG 1 -2.456 0.256 -0.056 0.00 0.00 +0.089 C ATOM 13 N LIG 1 -2.912 -0.454 -1.259 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 -4.131 0.090 -1.879 0.00 0.00 +0.140 C ATOM 15 C LIG 1 -4.097 1.568 -2.194 0.00 0.00 +0.058 A ATOM 16 C LIG 1 -4.078 2.529 -1.179 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -4.081 3.875 -1.574 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -4.068 4.216 -2.922 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.062 3.195 -3.849 0.00 0.00 +0.111 A ATOM 20 N LIG 1 -4.077 1.891 -3.518 0.00 0.00 -0.258 NA ATOM 21 C LIG 1 -4.079 2.222 0.300 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 -4.205 1.400 3.244 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -3.109 0.954 2.284 0.00 0.00 +0.002 C ENDBRANCH 11 23 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 3.045 -0.660 -0.814 0.00 0.00 +0.061 C BRANCH 24 25 ATOM 25 C LIG 1 3.354 -0.562 0.686 0.00 0.00 -0.016 A ATOM 26 C LIG 1 4.643 -0.860 1.204 0.00 0.00 -0.014 A ATOM 27 C LIG 1 5.769 -1.351 0.345 0.00 0.00 +0.046 C ATOM 28 C LIG 1 4.806 -0.696 2.593 0.00 0.00 +0.135 A ATOM 29 N LIG 1 5.887 -0.883 3.417 0.00 0.00 -0.128 NA ATOM 30 N LIG 1 5.522 -0.578 4.658 0.00 0.00 -0.063 NA ATOM 31 N LIG 1 4.223 -0.219 4.617 0.00 0.00 -0.230 N ATOM 32 C LIG 1 3.530 0.133 5.824 0.00 0.00 +0.176 C ATOM 33 C LIG 1 3.728 -0.264 3.346 0.00 0.00 +0.179 A ATOM 34 N LIG 1 2.490 0.041 2.918 0.00 0.00 -0.234 NA ATOM 35 C LIG 1 2.359 -0.126 1.579 0.00 0.00 +0.117 A ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 3.239 0.734 -1.443 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 3.425 0.636 -2.936 0.00 0.00 +0.306 C ATOM 38 O LIG 1 2.517 0.443 -3.729 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 4.705 0.781 -3.340 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 5.353 0.974 -2.635 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 7 24 TORSDOF 8