REMARK Name = BDB018839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.563 1.702 0.731 0.00 0.00 +0.140 C ATOM 2 N LIG 1 -0.652 0.299 0.317 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -1.888 -0.343 0.147 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -2.049 -1.566 0.119 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.559 -0.366 0.071 0.00 0.00 +0.167 A ATOM 6 S LIG 1 0.654 -1.921 -0.637 0.00 0.00 -0.060 S ATOM 7 C LIG 1 2.363 -1.853 -0.589 0.00 0.00 +0.077 A ATOM 8 C LIG 1 2.772 -0.645 -0.063 0.00 0.00 +0.082 A ATOM 9 N LIG 1 1.729 0.196 0.301 0.00 0.00 -0.224 NA BRANCH 8 10 ATOM 10 C LIG 1 4.159 -0.236 0.121 0.00 0.00 +0.019 A ATOM 11 C LIG 1 4.455 0.921 0.840 0.00 0.00 +0.120 A ATOM 12 N LIG 1 5.708 1.390 1.071 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 6.726 0.672 0.555 0.00 0.00 +0.111 A ATOM 14 C LIG 1 6.548 -0.489 -0.179 0.00 0.00 +0.020 A ATOM 15 C LIG 1 5.247 -0.946 -0.398 0.00 0.00 +0.013 A ENDBRANCH 8 10 ENDBRANCH 2 5 BRANCH 3 16 ATOM 16 C LIG 1 -3.129 0.572 0.026 0.00 0.00 +0.170 C ATOM 17 N LIG 1 -4.154 0.022 -0.918 0.00 0.00 -0.258 N ATOM 18 C LIG 1 -5.269 -0.570 -0.134 0.00 0.00 +0.117 C ATOM 19 C LIG 1 -4.828 -0.504 1.321 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -3.872 0.675 1.357 0.00 0.00 +0.034 C BRANCH 17 21 ATOM 21 C LIG 1 -3.918 -0.238 -2.209 0.00 0.00 +0.170 C ATOM 22 N LIG 1 -3.708 -0.432 -3.331 0.00 0.00 -0.174 NA ENDBRANCH 17 21 ENDBRANCH 3 16 TORSDOF 4