REMARK Name = BDB048813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.296 -0.272 -0.389 0.00 0.00 +0.081 C ATOM 2 C LIG 1 -2.116 -0.987 -0.827 0.00 0.00 +0.169 C ATOM 3 C LIG 1 -0.947 -0.167 -0.582 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -1.460 1.022 -0.038 0.00 0.00 -0.011 A ATOM 5 C LIG 1 -0.605 2.056 0.308 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.772 1.880 0.117 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.280 0.681 -0.413 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.410 -0.356 -0.767 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -2.939 0.950 0.070 0.00 0.00 +0.002 C ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -3.864 1.974 0.562 0.00 0.00 -0.017 A ATOM 11 C LIG 1 -3.847 2.342 1.913 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -4.728 3.316 2.390 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -5.625 3.926 1.516 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 -6.709 5.126 2.103 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 -5.650 3.570 0.169 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -4.770 2.595 -0.308 0.00 0.00 +0.010 A ENDBRANCH 9 10 BRANCH 2 17 ATOM 17 N LIG 1 -2.097 -2.400 -1.025 0.00 0.00 -0.181 N ATOM 18 O LIG 1 -2.735 -3.215 -0.043 0.00 0.00 -0.173 OA ATOM 19 C LIG 1 -1.439 -2.996 -2.180 0.00 0.00 +0.191 C ENDBRANCH 2 17 BRANCH 1 20 ATOM 20 C LIG 1 -4.650 -0.835 -0.517 0.00 0.00 +0.339 C ATOM 21 O LIG 1 -5.054 -1.355 -1.548 0.00 0.00 -0.245 OA BRANCH 20 22 ATOM 22 O LIG 1 -5.326 -0.706 0.649 0.00 0.00 -0.462 OA BRANCH 22 24 ATOM 23 C LIG 1 -6.575 -2.743 1.029 0.00 0.00 +0.048 C ATOM 24 C LIG 1 -6.643 -1.271 0.668 0.00 0.00 +0.229 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 7 25 ATOM 25 O LIG 1 2.602 0.404 -0.637 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 3.554 1.391 -0.243 0.00 0.00 +0.229 C BRANCH 26 27 ATOM 27 C LIG 1 4.958 0.871 -0.546 0.00 0.00 +0.046 C BRANCH 27 28 ATOM 28 C LIG 1 5.287 -0.389 0.259 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 6.698 -0.858 -0.001 0.00 0.00 -0.047 A ATOM 30 C LIG 1 6.975 -1.705 -1.083 0.00 0.00 +0.003 A ATOM 31 C LIG 1 8.281 -2.125 -1.335 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.323 -1.700 -0.512 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.059 -0.853 0.563 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.752 -0.432 0.817 0.00 0.00 +0.003 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 10