REMARK Name = BDB046694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.198 1.476 -3.723 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.445 0.586 -3.727 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -1.828 0.133 -2.434 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 -2.737 0.468 -0.294 0.00 0.00 -0.002 A ATOM 5 C LIG 1 -2.527 0.960 -1.598 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -3.025 2.219 -1.947 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.732 2.985 -1.015 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -3.958 2.492 0.266 0.00 0.00 +0.129 A ATOM 9 C LIG 1 -3.444 1.250 0.635 0.00 0.00 +0.053 A BRANCH 4 10 ATOM 10 C LIG 1 -2.224 -0.891 0.131 0.00 0.00 +0.038 C BRANCH 10 12 ATOM 11 C LIG 1 -4.468 -2.093 0.319 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -3.098 -2.056 -0.344 0.00 0.00 +0.001 C ENDBRANCH 10 12 ENDBRANCH 4 10 BRANCH 8 13 ATOM 13 O LIG 1 -4.641 3.308 1.139 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.625 2.729 1.909 0.00 0.00 +0.128 A ATOM 15 C LIG 1 -6.598 1.879 1.378 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -7.586 1.352 2.211 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -7.611 1.688 3.565 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.652 2.557 4.088 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -5.662 3.084 3.257 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 0.998 0.831 -3.019 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 0.839 0.980 -1.609 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 1.777 0.397 -0.805 0.00 0.00 +0.124 A ATOM 23 C LIG 1 2.931 -0.259 -1.228 0.00 0.00 +0.091 A ATOM 24 C LIG 1 3.812 -0.806 -0.291 0.00 0.00 +0.129 A ATOM 25 O LIG 1 4.913 -1.432 -0.807 0.00 0.00 -0.474 OA ATOM 26 C LIG 1 5.993 -1.703 0.108 0.00 0.00 +0.206 C ATOM 27 C LIG 1 5.448 -2.287 1.422 0.00 0.00 +0.064 C ATOM 28 C LIG 1 4.469 -1.326 2.085 0.00 0.00 +0.043 C ATOM 29 C LIG 1 3.538 -0.728 1.075 0.00 0.00 -0.005 A ATOM 30 C LIG 1 2.386 -0.056 1.498 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.514 0.501 0.562 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 C LIG 1 6.836 -0.437 0.360 0.00 0.00 +0.349 C ATOM 33 O LIG 1 7.388 -0.130 1.407 0.00 0.00 -0.246 OA BRANCH 32 34 ATOM 34 O LIG 1 6.977 0.354 -0.725 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 7.509 1.112 -0.407 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 BRANCH 26 36 ATOM 36 C LIG 1 6.885 -2.731 -0.630 0.00 0.00 +0.056 C ATOM 37 C LIG 1 8.081 -3.257 0.152 0.00 0.00 +0.008 C ENDBRANCH 26 36 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13