REMARK Name = BDB046711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.109 -0.690 2.482 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.006 0.179 1.791 0.00 0.00 -0.492 OA BRANCH 2 9 ATOM 3 C LIG 1 -6.361 0.928 -0.731 0.00 0.00 +0.206 C ATOM 4 O LIG 1 -5.027 1.256 -0.302 0.00 0.00 -0.474 OA ATOM 5 C LIG 1 -4.248 0.236 0.173 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -4.613 -1.109 0.129 0.00 0.00 -0.005 A ATOM 7 C LIG 1 -3.752 -2.063 0.683 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.532 -1.680 1.253 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.163 -0.337 1.279 0.00 0.00 +0.124 A ATOM 10 C LIG 1 -5.914 -1.534 -0.480 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -3.027 0.615 0.732 0.00 0.00 +0.091 A ATOM 12 C LIG 1 -6.425 -0.448 -1.414 0.00 0.00 +0.064 C BRANCH 3 14 ATOM 13 C LIG 1 -6.689 3.442 -1.233 0.00 0.00 +0.008 C ATOM 14 C LIG 1 -6.789 2.010 -1.751 0.00 0.00 +0.056 C ENDBRANCH 3 14 BRANCH 3 15 ATOM 15 C LIG 1 -7.348 0.979 0.456 0.00 0.00 +0.349 C ATOM 16 O LIG 1 -8.500 0.571 0.418 0.00 0.00 -0.246 OA BRANCH 15 17 ATOM 17 O LIG 1 -6.821 1.551 1.567 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -5.884 1.799 1.414 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 3 15 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.880 -1.326 1.512 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.905 -2.181 2.246 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.766 -2.837 1.318 0.00 0.00 -0.490 OA BRANCH 21 22 ATOM 22 C LIG 1 3.936 -2.237 0.935 0.00 0.00 +0.139 A ATOM 23 C LIG 1 4.828 -3.022 0.183 0.00 0.00 +0.086 A ATOM 24 CL LIG 1 4.465 -4.667 -0.213 0.00 0.00 -0.080 Cl ATOM 25 C LIG 1 6.044 -2.499 -0.265 0.00 0.00 +0.070 A ATOM 26 C LIG 1 6.369 -1.176 0.017 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.503 -0.388 0.776 0.00 0.00 +0.050 A ATOM 28 C LIG 1 4.286 -0.915 1.225 0.00 0.00 +0.051 A BRANCH 26 29 ATOM 29 O LIG 1 7.592 -0.723 -0.422 0.00 0.00 -0.456 OA BRANCH 29 30 ATOM 30 C LIG 1 7.624 0.504 -1.044 0.00 0.00 +0.129 A ATOM 31 C LIG 1 8.638 1.383 -0.658 0.00 0.00 +0.049 A ATOM 32 C LIG 1 8.746 2.630 -1.274 0.00 0.00 +0.042 A ATOM 33 C LIG 1 7.849 2.978 -2.279 0.00 0.00 +0.124 A ATOM 34 F LIG 1 7.953 4.175 -2.870 0.00 0.00 -0.205 F ATOM 35 C LIG 1 6.849 2.099 -2.685 0.00 0.00 +0.042 A ATOM 36 C LIG 1 6.739 0.851 -2.072 0.00 0.00 +0.049 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11