REMARK Name = BDB040469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.594 1.172 -0.546 0.00 0.00 -0.028 A ATOM 2 C LIG 1 1.411 1.342 0.572 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.620 0.637 0.706 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 3.521 1.018 2.131 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.046 -0.286 -0.273 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.209 -0.429 -1.407 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 2.609 -1.473 -2.734 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 1.007 0.280 -1.536 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.336 -1.105 -0.191 0.00 0.00 +0.108 C ATOM 10 C LIG 1 4.718 -1.622 1.188 0.00 0.00 +0.227 C ATOM 11 O LIG 1 3.978 -2.349 1.849 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.938 -1.231 1.686 0.00 0.00 -0.256 N ATOM 13 H LIG 1 6.162 -1.582 2.607 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 6.706 -0.174 1.268 0.00 0.00 +0.219 C ATOM 15 O LIG 1 7.640 0.238 1.950 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 6.293 0.497 -0.019 0.00 0.00 +0.097 C ATOM 17 C LIG 1 5.523 -0.455 -0.914 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.720 1.896 -0.669 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.585 0.344 -1.149 0.00 0.00 +0.223 C ATOM 20 N LIG 1 -1.803 1.039 -0.249 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.946 0.900 0.743 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -2.448 0.464 -2.364 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 -2.807 -1.751 0.164 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -3.619 -0.619 -0.505 0.00 0.00 +0.066 C ATOM 25 C LIG 1 -4.482 -1.261 -1.613 0.00 0.00 +0.025 C BRANCH 24 26 ATOM 26 C LIG 1 -4.549 0.140 0.456 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -4.816 -0.293 1.761 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -5.668 0.457 2.562 0.00 0.00 +0.111 A ATOM 29 N LIG 1 -6.269 1.596 2.165 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 -6.021 1.997 0.903 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -5.188 1.316 0.028 0.00 0.00 +0.024 A ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5