REMARK Name = BDB047519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.670 -1.916 -0.701 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.951 -2.518 -0.496 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 6.773 0.411 -0.295 0.00 0.00 +0.033 C ATOM 4 C LIG 1 5.386 -0.183 -0.392 0.00 0.00 -0.040 A ATOM 5 C LIG 1 5.424 -1.576 -0.276 0.00 0.00 -0.040 A ATOM 6 C LIG 1 4.262 -2.331 -0.302 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.035 -1.683 -0.478 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.999 -0.287 -0.621 0.00 0.00 +0.046 A ATOM 9 C LIG 1 6.826 -2.065 -0.112 0.00 0.00 +0.036 C ATOM 10 C LIG 1 4.178 0.469 -0.581 0.00 0.00 +0.008 A ATOM 11 C LIG 1 7.608 -0.855 -0.639 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 7.109 0.975 1.107 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 6.264 3.378 0.658 0.00 0.00 +0.004 C ATOM 14 C LIG 1 6.239 2.159 1.572 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 8.562 1.398 1.164 0.00 0.00 +0.308 C ATOM 16 O LIG 1 9.242 1.816 0.242 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 9.084 1.288 2.401 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 10.007 1.604 2.302 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.380 -3.024 -0.693 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 -1.736 -2.511 -1.008 0.00 0.00 +0.086 A ATOM 21 C LIG 1 -2.516 -2.714 -2.126 0.00 0.00 +0.126 A ATOM 22 C LIG 1 -2.359 -3.466 -3.382 0.00 0.00 +0.088 C ATOM 23 O LIG 1 -3.688 -2.034 -1.949 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 -3.558 -1.444 -0.718 0.00 0.00 +0.228 A ATOM 25 N LIG 1 -2.407 -1.698 -0.123 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 -4.679 -0.634 -0.252 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -5.835 -0.451 -1.016 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -6.894 0.333 -0.540 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.838 0.963 0.718 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -5.673 0.773 1.477 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.614 -0.012 1.000 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 C LIG 1 -8.021 1.817 1.208 0.00 0.00 -0.013 C ATOM 33 C LIG 1 -9.292 0.944 1.290 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -8.266 2.980 0.223 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -7.804 2.440 2.606 0.00 0.00 +0.015 C ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10