REMARK Name = BDB026912 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.880 0.038 -2.259 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -0.888 -0.046 -1.026 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.359 0.067 -0.255 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.670 0.360 -0.765 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.554 0.367 0.314 0.00 0.00 +0.051 A ATOM 6 C LIG 1 3.928 0.623 0.179 0.00 0.00 +0.071 A ATOM 7 C LIG 1 4.420 0.888 -1.102 0.00 0.00 +0.123 A ATOM 8 C LIG 1 3.562 0.871 -2.201 0.00 0.00 +0.046 A ATOM 9 N LIG 1 1.822 0.072 1.438 0.00 0.00 -0.360 N ATOM 10 H LIG 1 2.210 -0.010 2.369 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 2.193 0.617 -2.049 0.00 0.00 +0.014 A ATOM 12 C LIG 1 0.502 -0.099 1.113 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 O LIG 1 5.732 1.137 -1.411 0.00 0.00 -0.487 OA BRANCH 13 14 ATOM 14 C LIG 1 6.593 1.583 -0.359 0.00 0.00 +0.264 C BRANCH 14 15 ATOM 15 C LIG 1 7.276 0.459 0.390 0.00 0.00 -0.010 A ATOM 16 C LIG 1 7.735 0.676 1.698 0.00 0.00 +0.007 A ATOM 17 C LIG 1 8.390 -0.339 2.398 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.602 -1.577 1.797 0.00 0.00 +0.000 A ATOM 19 C LIG 1 8.165 -1.801 0.493 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.511 -0.787 -0.209 0.00 0.00 +0.007 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 C LIG 1 -2.221 -0.282 -0.262 0.00 0.00 +0.156 C BRANCH 21 22 ATOM 22 C LIG 1 -2.399 -1.738 0.153 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -2.023 -2.802 -0.683 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -2.209 -4.125 -0.276 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.786 -4.403 0.961 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.187 -3.358 1.791 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.001 -2.035 1.388 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -3.390 0.126 -1.082 0.00 0.00 -0.303 NA ATOM 29 H LIG 1 -3.257 -0.273 -2.015 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.510 1.585 -1.199 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -4.781 1.988 -1.965 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -6.043 1.886 -1.137 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -6.609 3.034 -0.560 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -7.768 2.937 0.211 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -8.359 1.695 0.409 0.00 0.00 +0.123 A ATOM 36 F LIG 1 -9.470 1.605 1.153 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.813 0.547 -0.149 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -6.655 0.642 -0.922 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 2 21 TORSDOF 10