REMARK Name = BDB047700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.337 1.097 0.015 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.570 -0.125 -0.487 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -0.356 -0.573 0.506 0.00 0.00 -0.492 OA BRANCH 3 7 ATOM 4 C LIG 1 -4.284 0.831 0.775 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -3.420 1.418 -0.159 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.098 0.979 -0.288 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.617 -0.048 0.520 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -2.470 -0.621 1.467 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.791 -0.186 1.598 0.00 0.00 +0.007 A BRANCH 4 10 ATOM 10 C LIG 1 -5.718 1.295 0.893 0.00 0.00 +0.053 C BRANCH 10 11 ATOM 11 C LIG 1 -6.775 0.544 0.032 0.00 0.00 +0.068 C ATOM 12 C LIG 1 -8.152 1.155 0.397 0.00 0.00 +0.023 C BRANCH 11 14 ATOM 13 C LIG 1 -7.883 -1.767 -0.405 0.00 0.00 +0.005 C ATOM 14 C LIG 1 -6.811 -0.978 0.343 0.00 0.00 +0.015 C ENDBRANCH 11 14 BRANCH 11 15 ATOM 15 C LIG 1 -6.519 0.838 -1.454 0.00 0.00 +0.311 C ATOM 16 O LIG 1 -7.122 1.689 -2.094 0.00 0.00 -0.250 OA BRANCH 15 17 ATOM 17 O LIG 1 -5.541 0.109 -2.033 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -5.027 -0.457 -1.427 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 3 7 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.305 1.637 -1.033 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 3.205 0.633 -1.495 0.00 0.00 -0.491 OA BRANCH 20 21 ATOM 21 C LIG 1 4.361 0.382 -0.806 0.00 0.00 +0.127 A ATOM 22 C LIG 1 5.196 -0.604 -1.357 0.00 0.00 +0.034 A ATOM 23 C LIG 1 4.801 -1.330 -2.616 0.00 0.00 +0.051 C ATOM 24 C LIG 1 6.379 -0.945 -0.673 0.00 0.00 +0.146 A ATOM 25 C LIG 1 6.775 -0.320 0.514 0.00 0.00 +0.030 A ATOM 26 C LIG 1 8.033 -0.734 1.155 0.00 0.00 +0.072 A ATOM 27 C LIG 1 8.754 -1.708 0.580 0.00 0.00 +0.105 A ATOM 28 C LIG 1 8.356 -2.387 -0.657 0.00 0.00 +0.338 A ATOM 29 O LIG 1 9.051 -3.274 -1.136 0.00 0.00 -0.245 OA ATOM 30 C LIG 1 5.935 0.673 1.028 0.00 0.00 +0.016 A ATOM 31 O LIG 1 7.173 -1.972 -1.235 0.00 0.00 -0.422 OA ATOM 32 C LIG 1 4.741 1.017 0.379 0.00 0.00 +0.047 A BRANCH 26 33 ATOM 33 C LIG 1 8.486 -0.073 2.421 0.00 0.00 +0.418 C ATOM 34 F LIG 1 8.667 1.263 2.261 0.00 0.00 -0.166 F ATOM 35 F LIG 1 7.590 -0.235 3.428 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.667 -0.569 2.874 0.00 0.00 -0.166 F ENDBRANCH 26 33 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12