REMARK Name = BDB046667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.853 0.303 -0.468 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.240 -0.938 -0.691 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.040 -1.211 -0.192 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.731 -0.245 0.535 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.130 0.996 0.749 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.147 1.273 0.251 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.233 0.586 -1.015 0.00 0.00 +0.094 C BRANCH 7 8 ATOM 8 C LIG 1 -4.448 0.538 -0.033 0.00 0.00 +0.209 C BRANCH 8 10 ATOM 9 C LIG 1 -4.796 -2.029 -0.081 0.00 0.00 +0.008 C ATOM 10 C LIG 1 -4.495 -0.793 0.759 0.00 0.00 +0.057 C ENDBRANCH 8 10 BRANCH 8 11 ATOM 11 C LIG 1 -4.311 1.758 0.901 0.00 0.00 +0.349 C ATOM 12 O LIG 1 -3.852 1.734 2.034 0.00 0.00 -0.246 OA BRANCH 11 13 ATOM 13 O LIG 1 -4.757 2.912 0.338 0.00 0.00 -0.478 OA ATOM 14 H LIG 1 -5.198 2.741 -0.521 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 8 11 BRANCH 8 15 ATOM 15 O LIG 1 -5.590 0.698 -0.909 0.00 0.00 -0.474 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.882 0.697 -0.468 0.00 0.00 +0.122 A ATOM 17 C LIG 1 -7.828 0.539 -1.487 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -9.194 0.534 -1.202 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -9.627 0.696 0.111 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.692 0.866 1.130 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -7.323 0.870 0.842 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 O LIG 1 1.981 -0.367 1.069 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.670 -1.615 0.956 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 3.417 -1.735 -0.373 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 4.620 -0.863 -0.431 0.00 0.00 +0.086 A ATOM 26 C LIG 1 4.723 0.480 -0.728 0.00 0.00 +0.126 A ATOM 27 C LIG 1 3.768 1.545 -1.076 0.00 0.00 +0.088 C ATOM 28 O LIG 1 6.042 0.826 -0.648 0.00 0.00 -0.440 OA ATOM 29 C LIG 1 6.682 -0.337 -0.305 0.00 0.00 +0.228 A ATOM 30 N LIG 1 5.873 -1.372 -0.167 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 8.132 -0.272 -0.146 0.00 0.00 +0.037 A ATOM 32 C LIG 1 8.847 0.922 -0.326 0.00 0.00 +0.013 A ATOM 33 C LIG 1 10.236 0.956 -0.167 0.00 0.00 +0.001 A ATOM 34 C LIG 1 10.927 -0.205 0.174 0.00 0.00 +0.000 A ATOM 35 C LIG 1 10.233 -1.399 0.357 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.845 -1.431 0.197 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12