REMARK Name = BDB057710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.133 -0.415 -0.420 0.00 0.00 +0.281 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.369 -1.794 1.451 0.00 0.00 -0.247 OA ATOM 3 C LIG 1 0.914 -1.710 0.360 0.00 0.00 +0.346 C BRANCH 3 4 ATOM 4 O LIG 1 1.361 -2.816 -0.266 0.00 0.00 -0.478 OA ATOM 5 H LIG 1 1.170 -3.549 0.354 0.00 0.00 +0.295 HD ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 6 ATOM 6 O LIG 1 2.453 -0.311 -0.960 0.00 0.00 -0.478 OA BRANCH 6 7 ATOM 7 C LIG 1 3.492 -0.040 -0.115 0.00 0.00 +0.122 A ATOM 8 C LIG 1 3.409 0.182 1.261 0.00 0.00 +0.047 A ATOM 9 C LIG 1 4.568 0.449 2.001 0.00 0.00 +0.023 A ATOM 10 C LIG 1 5.807 0.495 1.365 0.00 0.00 +0.041 A ATOM 11 CL LIG 1 7.226 0.823 2.280 0.00 0.00 -0.084 Cl ATOM 12 C LIG 1 5.900 0.276 -0.005 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.742 0.010 -0.740 0.00 0.00 +0.047 A ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 1 14 ATOM 14 C LIG 1 0.162 -0.349 -1.610 0.00 0.00 +0.056 C BRANCH 14 15 ATOM 15 C LIG 1 -1.327 -0.401 -1.250 0.00 0.00 +0.009 C BRANCH 15 16 ATOM 16 C LIG 1 -1.786 0.771 -0.379 0.00 0.00 +0.035 C BRANCH 16 17 ATOM 17 C LIG 1 -3.269 0.713 -0.114 0.00 0.00 -0.047 A ATOM 18 C LIG 1 -4.169 1.390 -0.947 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -5.543 1.320 -0.708 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.028 0.569 0.361 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.141 -0.114 1.191 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.768 -0.045 0.954 0.00 0.00 +0.003 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 8