REMARK Name = BDB059317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.363 0.624 -0.487 0.00 0.00 +0.262 C ATOM 2 N LIG 1 -0.714 -0.217 -0.263 0.00 0.00 -0.228 N ATOM 3 H LIG 1 -0.611 -1.034 0.345 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 0.204 1.776 -0.885 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.134 0.462 -0.252 0.00 0.00 +0.123 A ATOM 6 C LIG 1 2.829 0.908 -0.494 0.00 0.00 +0.061 A ATOM 7 C LIG 1 1.724 0.092 -0.216 0.00 0.00 +0.077 A ATOM 8 C LIG 1 1.946 -1.181 0.305 0.00 0.00 +0.136 A ATOM 9 F LIG 1 0.924 -2.000 0.595 0.00 0.00 -0.205 F ATOM 10 C LIG 1 3.240 -1.639 0.543 0.00 0.00 +0.043 A ATOM 11 C LIG 1 4.335 -0.819 0.262 0.00 0.00 +0.048 A BRANCH 5 12 ATOM 12 O LIG 1 5.109 1.362 -0.580 0.00 0.00 -0.480 OA BRANCH 12 13 ATOM 13 C LIG 1 6.454 1.099 -0.168 0.00 0.00 +0.317 C BRANCH 13 15 ATOM 14 C LIG 1 7.729 -0.438 -1.940 0.00 0.00 +0.007 C ATOM 15 C LIG 1 7.156 0.253 -1.142 0.00 0.00 -0.065 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 16 ATOM 16 N LIG 1 -2.088 0.471 -0.198 0.00 0.00 -0.108 NA ATOM 17 H LIG 1 -1.998 1.450 -0.518 0.00 0.00 +0.172 HD BRANCH 16 18 ATOM 18 S LIG 1 -2.772 0.488 1.373 0.00 0.00 +0.074 S ATOM 19 O LIG 1 -2.686 1.847 1.859 0.00 0.00 -0.152 OA ATOM 20 O LIG 1 -2.203 -0.625 2.108 0.00 0.00 -0.152 OA BRANCH 18 21 ATOM 21 C LIG 1 -4.465 0.114 1.013 0.00 0.00 +0.107 A ATOM 22 C LIG 1 -5.416 1.139 0.987 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -6.750 0.829 0.723 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -7.129 -0.496 0.495 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.177 -1.517 0.534 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -4.841 -1.216 0.797 0.00 0.00 +0.028 A ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 2 16 TORSDOF 7