REMARK Name = BDB026188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.579 -0.377 -1.138 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.861 0.711 -0.571 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.468 0.656 -0.420 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.272 -0.459 -0.850 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.447 -1.500 -1.451 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.193 -2.596 -1.889 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.834 -1.462 -1.603 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.126 -2.799 0.892 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.241 -1.880 0.370 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.013 -2.410 -0.779 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.565 -3.741 -0.547 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.224 -2.366 -2.023 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.684 -0.955 -2.345 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.979 -0.321 -1.212 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.702 -0.447 0.082 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.732 -0.514 -0.685 0.00 0.00 +0.021 A ATOM 17 C LIG 1 2.597 -1.009 -1.639 0.00 0.00 +0.124 A ATOM 18 N LIG 1 3.943 -1.065 -1.510 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 4.487 -0.614 -0.368 0.00 0.00 +0.218 A ATOM 20 N LIG 1 3.732 -0.110 0.622 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 2.392 -0.072 0.444 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 5.882 -0.634 -0.221 0.00 0.00 -0.299 N ATOM 23 C LIG 1 6.536 -1.649 -1.053 0.00 0.00 +0.111 C ATOM 24 C LIG 1 8.052 -1.460 -1.015 0.00 0.00 +0.053 C ATOM 25 C LIG 1 8.591 -1.438 0.418 0.00 0.00 +0.066 C ATOM 26 C LIG 1 10.091 -1.132 0.416 0.00 0.00 +0.041 C ATOM 27 C LIG 1 7.830 -0.403 1.254 0.00 0.00 +0.053 C ATOM 28 C LIG 1 6.316 -0.605 1.177 0.00 0.00 +0.111 C BRANCH 25 29 ATOM 29 O LIG 1 8.417 -2.739 0.991 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 8.817 -2.735 1.877 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -2.621 1.858 -0.251 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.591 1.773 -0.545 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.215 2.993 0.407 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -1.125 3.215 0.914 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.262 4.038 0.521 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -3.553 4.633 1.762 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -4.523 5.652 1.803 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -5.181 6.047 0.642 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -6.105 7.013 0.706 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -4.895 5.454 -0.580 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -3.930 4.450 -0.646 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -2.868 4.201 3.035 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.773 2.849 3.163 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.620 4.713 3.183 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.555 4.606 4.146 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7