REMARK Name = BDB046662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.272 0.522 2.021 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.338 0.567 2.917 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -2.644 0.743 2.452 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.910 0.882 1.087 0.00 0.00 +0.122 A ATOM 5 C LIG 1 -1.846 0.828 0.195 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -0.532 0.651 0.658 0.00 0.00 +0.049 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.955 0.345 2.597 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.086 0.323 1.721 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.339 0.123 2.570 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 6.076 2.062 2.887 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.688 1.011 1.930 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.584 0.201 1.767 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.773 -0.614 0.672 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.965 -0.277 0.214 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.576 0.716 0.935 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.697 -0.808 -0.933 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.958 -0.318 -1.303 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.635 -0.845 -2.406 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.059 -1.870 -3.154 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.807 -2.369 -2.801 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.131 -1.841 -1.698 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 O LIG 1 -4.231 1.030 0.806 0.00 0.00 -0.474 OA BRANCH 22 23 ATOM 23 C LIG 1 -4.796 1.399 -0.464 0.00 0.00 +0.207 C ATOM 24 C LIG 1 -4.203 2.727 -0.971 0.00 0.00 +0.068 C BRANCH 23 25 ATOM 25 C LIG 1 -6.288 1.708 -0.142 0.00 0.00 +0.349 C ATOM 26 O LIG 1 -6.776 1.728 0.981 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 -7.055 2.027 -1.219 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 -6.613 2.003 -2.085 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 23 25 BRANCH 23 29 ATOM 29 C LIG 1 -4.705 0.262 -1.512 0.00 0.00 +0.094 C BRANCH 29 30 ATOM 30 C LIG 1 -5.521 -0.980 -1.221 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.663 -1.279 -1.978 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.413 -2.426 -1.709 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.029 -3.289 -0.686 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.892 -3.007 0.068 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.141 -1.861 -0.199 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11