REMARK Name = BDB057559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.606 0.946 -0.892 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.584 1.339 -1.904 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.186 0.488 -0.874 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.831 0.367 -0.544 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.142 1.096 -1.238 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.262 1.948 -2.271 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.614 2.065 -2.598 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.865 1.559 -2.329 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 4.936 0.879 -1.669 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 5.388 1.649 -0.429 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 5.235 0.414 2.695 0.00 0.00 +0.088 C ATOM 12 C LIG 1 6.279 0.398 1.656 0.00 0.00 +0.126 A ATOM 13 C LIG 1 6.379 0.889 0.372 0.00 0.00 +0.086 A ATOM 14 N LIG 1 7.612 0.566 -0.147 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 8.213 -0.098 0.824 0.00 0.00 +0.228 A ATOM 16 O LIG 1 7.449 -0.239 1.954 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 9.547 -0.693 0.848 0.00 0.00 +0.037 A ATOM 18 C LIG 1 10.375 -0.581 -0.280 0.00 0.00 +0.013 A ATOM 19 C LIG 1 11.655 -1.142 -0.288 0.00 0.00 +0.001 A ATOM 20 C LIG 1 12.123 -1.823 0.834 0.00 0.00 +0.000 A ATOM 21 C LIG 1 11.315 -1.942 1.962 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.035 -1.381 1.970 0.00 0.00 +0.013 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -2.249 -0.301 -1.530 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.361 -0.083 -3.044 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -2.914 0.848 -3.611 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -1.784 -1.067 -3.768 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -1.962 -0.806 -4.696 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -3.614 -0.527 -0.990 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.192 0.312 -1.161 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.772 -0.956 0.343 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -4.871 -0.521 1.127 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -5.051 -1.001 2.435 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.173 -1.944 2.965 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.121 -2.418 2.191 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -2.931 -1.937 0.893 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -5.829 0.488 0.573 0.00 0.00 +0.168 C ATOM 37 O LIG 1 -5.383 1.361 -0.173 0.00 0.00 -0.292 OA BRANCH 36 38 ATOM 38 C LIG 1 -7.315 0.408 0.950 0.00 0.00 +0.060 C ATOM 39 C LIG 1 -7.939 -0.940 0.535 0.00 0.00 +0.011 C ATOM 40 C LIG 1 -8.771 -0.832 -0.739 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -9.922 0.163 -0.589 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -9.590 1.337 0.332 0.00 0.00 +0.001 C ATOM 43 C LIG 1 -8.092 1.611 0.376 0.00 0.00 +0.011 C ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13